ORCA
Online Research @ Cardiff

Clear Cookie - decide language by browser settings

Browse by Schools (by year)

Up a level

Group by: Creators | Item Type | No Grouping

Jump to: Article | Book Section | Conference or Workshop Item | Thesis

Number of items: 361.

Article

Abagale, Samson A., Braimah, Haruna, Osafo-Acquaah, Samuel, Powers, Stephen J., Emden, Helmut, Birkett, Michael A., Pickett, John A.

, Sanda, Umar I. and Vuts, József 2021. Field validation of senesced banana leaf extracts for trapping banana weevils on smallholder banana/plantain farms. Journal of Applied Entomology 145 (1-2) , pp. 26-35. 10.1111/jen.12838

Abdulridha, Samer, Zhang, Rongxin, Xu, Shaojun, Tedstone, Aleksander, Ou, Xiaoxia, Gong, Jiacheng, Mao, Boyang, Frogley, Mark, Bawn, Carlo, Zhou, Zhaoxia, Zhang, Xinran, Chansai, Sarayute, Holmes, Stuart M., Hardacre, Christopher, Garforth, Arthur A., Yang, Sihai, Jiao, Yilai and Fan, Xiaolei 2021. An efficient microwave-assisted chelation (MWAC) post-synthetic modification method to produce hierarchical Y zeolites. Microporous and Mesoporous Materials 311 , 110715. 10.1016/j.micromeso.2020.110715

Abdulridha, Samer, Jiao, Yilai, Xu, Shaojun, Zhang, Rongxin, Ren, Zhongyuan, Garforth, Arthur A. and Fan, Xiaolei 2021. A comparative study on mesoporous Y zeolites prepared by hard-templating and post-synthetic treatment methods. Applied Catalysis A: General 612 , 117986. 10.1016/j.apcata.2020.117986

Adesina, Aduragbemi S., Luk, Louis Y. P.

and Allemann, Rudolf K.

2021. Cryo‐kinetics reveal dynamic effects on the chemistry of human dihydrofolate reductase. ChemBioChem 22 (14) , pp. 2410-2414. 10.1002/cbic.202100017

Agarwal, Nishtha, Thomas, Liam, Nasrallah, Ali, Sainna, Mala A., Freakley, Simon J., Edwards, Jennifer K.

, Catlow, C. Richard A., Hutchings, Graham J.

, Taylor, Stuart H.

and Willock, David J.

2021. The direct synthesis of hydrogen peroxide over Au and Pd nanoparticles: A DFT study. Catalysis Today 381 , pp. 76-85. 10.1016/j.cattod.2020.09.001

Aggett, Kieran, Davies, Thomas E., Morgan, David J.

, Hewes, Dan and Taylor, Stuart H.

2021. The influence of precursor on the preparation of CeO2 catalysts for the total oxidation of the volatile organic compound propane. Catalysts 11 (12) , 1461. 10.3390/catal11121461

Agrawal, Kushagra and Kishore, Nanda 2021. Computational study on adsorption characteristics of phenol and guaiacol over single and multiple nitrogen-doped graphene. ChemistrySelect 6 (30) , pp. 7682-7690. 10.1002/slct.202102060

Al Rahal, Okba, Williams, P. Andrew, Hughes, Colan E., Kariuki, Benson M.

and Harris, Kenneth D. M.

2021. Structure determination of multicomponent crystalline phases of (S)-Ibuprofen and l-Proline from powder x-ray diffraction data, augmented by complementary experimental and computational techniques. Crystal Growth and Design 21 (4) , pp. 2498-2507. 10.1021/acs.cgd.1c00160

Aladeemy, Saba A., Al-Mayouf, Abdullah M., Amer, Mabrook S., Alotaibi, Nouf H., Weller, Mark T. and Ghanem, Mohamed A. 2021. Structure and electrochemical activity of nickel aluminium fluoride nanosheets during urea electro-oxidation in an alkaline solution. RSC Advances 11 (5) , pp. 3190-3201. 10.1039/D0RA10814F

Alam, Syed Fakhar, Kim, Min-Zy, Rehman, Aafaq ur, Arepalli, Devipriyanka, Sharma, Pankaj

and Cho, Churl Hee 2021. Synthesis of SAPO-34 nanoplates with high Si/Al ratio and improved acid site density. Nanomaterials 11 (12) , 3198. 10.3390/nano11123198

Alharbi, Haifa, Elsherbini, Mohamed, Qurban, Jihan and Wirth, Thomas

2021. C−N axial chiral hypervalent iodine reagents: catalytic stereoselective α‐oxytosylation of ketones. Chemistry - A European Journal 27 (13) , pp. 4317-4321. 10.1002/chem.202005253

Allen, Lisa, Davies-Jones, Josh, Davies, Philip R.

, King, Sara and O'Reilly, Padraic 2021. Tuning the structure of cerium phosphate nanorods. CrystEngComm 23 (46) , pp. 8215-8225. 10.1039/D1CE01151K

Alshammari, Nadiyah and Platts, James A.

2021. Can ionic effects induce α-sheet conformation of Peptides? Chemical Physics Letters 784 , 139095. 10.1016/j.cplett.2021.139095

Alshammari, Nadiyah, Savva, Loizos, Kennedy-Britten, Oliver and Platts, James A.

2021. Forcefield evaluation and accelerated molecular dynamics simulation of Zn(II) binding to N-terminus of amyloid-β. Computational Biology and Chemistry 93 , 107540. 10.1016/j.compbiolchem.2021.107540

Amri, Nasser and Wirth, Thomas

2021. Flow electrosynthesis of sulfoxides, sulfones, and sulfoximines without supporting electrolytes. Journal of Organic Chemistry 86 (22) , pp. 15961-15972. 10.1021/acs.joc.1c00860

Amri, Nasser and Wirth, Thomas

2021. Recent advances in the electrochemical synthesis of organosulfur compounds. Chemical Record 21 (9) , pp. 2526-2537. 10.1002/tcr.202100064

Asghar, Aisha, Iqbal, Naseem, Noor, Tayyaba, Kariuki, Benson

, Kidwell, Luke and Easun, Timothy

2021. Efficient electrochemical synthesis of a manganese-based metal-organic framework for H2 and CO2 uptake. Green Chemistry 23 , pp. 1220-1227. 10.1039/D0GC03292A

Ashritha, M.G., Rondiya, Sachin R., Cross, Russell W., Dzade, Nelson Y.

, Dhole, S.D., Hareesh, K. and Sunitha, D.V. 2021. Experimental and computational studies of sonochemical assisted anchoring of carbon quantum dots on reduced graphene oxide sheets towards the photocatalytic activity. Applied Surface Science 545 , 148962. 10.1016/j.apsusc.2021.148962

Ayan, Dasgupta, Richards, Emma

and Melen, Rebecca

2021. Frustrated radical pairs: insights from EPR spectroscopy. Angewandte Chemie International Edition 60 (1) , pp. 53-65. 10.1002/anie.202010633

Baashen, Mohammed A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S. Zeitschrift für Kristallographie - New Crystal Structures 236 (2) , pp. 431-433. 10.1515/ncrs-2020-0607

Baashen, Mohammed A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S. Zeitschrift für Kristallographie - New Crystal Structures 236 (2) , pp. 425-427. 10.1515/ncrs-2020-0605

Bade, Bharat R., Rondiya, Sachin R., Jadhav, Yogesh A., Kamble, Mahesh M., Barma, Sunil V., Jathar, Sagar B., Nasane, Mamta P., Jadkar, Sandesh R., Funde, Adinath M. and Dzade, Nelson Y.

2021. Investigations of the structural, optoelectronic and band alignment properties of Cu2ZnSnS4 prepared by hot-injection method towards low-cost photovoltaic applications. Journal of Alloys and Compounds 854 , 157093. 10.1016/j.jallcom.2020.157093

Baragau, Ioan-Alexandru, Lu, Zhen, Power, Nicholas P., Morgan, David J.

, Bowen, James, Diaz, Pedro and Kellici, Suela 2021. Continuous hydrothermal flow synthesis of S-functionalised carbon quantum dots for enhanced oil recovery. Chemical Engineering Journal 405 , 126631. 10.1016/j.cej.2020.126631

Baragau, Ioan-Alexandru, Power, Nicholas P., Morgan, David J.

, Lobo, Richard A., Roberts, Christopher S., Titirici, Maria-Magdalena, Middelkoop, Vesna, Diaz, Adriana, Dunn, Steven and Kellici, Suela 2021. Efficient continuous hydrothermal flow synthesis of carbon quantum dots from a targeted biomass precursor for on-off metal ions nanosensing. ACS Sustainable Chemistry and Engineering 9 (6) , 2559–2569. 10.1021/acssuschemeng.0c08594

Barlocco, Ilaria, Bellomi, Silvio, Delgado, Juan J., Chen, Xiaowei, Prati, Laura, Dimitratos, Nikolaos, Roldan, Alberto

and Villa, Alberto 2021. Enhancing activity, selectivity and stability of palladium catalysts in formic acid decomposition: Effect of support functionalization. Catalysis Today 382 , pp. 61-70. 10.1016/j.cattod.2021.07.005

Barlocco, Ilaria, Capelli, Sofia, Zanella, Elisa, Chen, Xiaowei, Delgado, Juan J., Roldan, Alberto, Dimitratos, Nikolaos and Villa, Alberto 2021. Synthesis of palladium-rhodium bimetallic nanoparticles for formic acid dehydrogenation. Journal of Energy Chemistry 52 , pp. 301-309. 10.1016/j.jechem.2020.04.031

Bartley, Jonathan K.

, Dimitratos, Nikolaos, Edwards, Jennifer K.

, Kiely, Christopher J. and Taylor, Stuart H.

2021. A career in catalysis: Graham J. Hutchings. ACS Catalysis 11 (10) , pp. 5916-5933. 10.1021/acscatal.1c00569

Basak, Shyam, Winfrey, Laura, Kustiana, Betty A., Melen, Rebecca L.

, Morrill, Louis C.

and Pulis, Alexander P. 2021. Electron deficient borane-mediated hydride abstraction in amines: stoichiometric and catalytic processes. Chemical Society Reviews 50 (6) , pp. 3721-3737. 10.1039/D0CS00531B

Bezzu, C. Grazia, Fuoco, Alessio, Esposito, Elisa, Monteleone, Marcello, Longo, Mariagiulia, Jansen, Johannes Carolus, Nichol, Gary S. and McKeown, Neil B. 2021. Ultrapermeable polymers of intrinsic microporosity (PIMs) containing spirocyclic units with fused triptycenes. Advanced Functional Materials 31 (37) , 2104474. 10.1002/adfm.202104474

Bhaduri, Debajyoti

, Ghara, Tina, Penchev, Pavel, Paul, Soumitra, Pruncu, Catalin I., Dimov, Stefan and Morgan, David

2021. Pulsed laser polishing of selective laser melted aluminium alloy parts. Applied Surface Science 558 , 149887. 10.1016/j.apsusc.2021.149887

Bhattacharjee, Annapurna, Srivastava, Prabhakar Lal

, Nath, Onkar and Jain, Mukesh 2021. Genome-wide discovery of OsHOX24-binding sites and regulation of desiccation stress response in rice. Plant Molecular Biology 105 (1-2) , pp. 205-214. 10.1007/s11103-020-01078-9

Bhorde, Ajinkya, Waykar, Ravindra, Rondiya, Sachin R., Nair, Shruthi, Lonkar, Ganesh, Funde, Adinath, Dzade, Nelson Y.

and Jadkar, Sandesh 2021. Structural, electronic, and optical properties of lead-free halide double perovskite Rb2AgBiI6: a combined experimental and DFT study. ES Materials & Manufacturing 12 , pp. 43-52. 10.30919/esmm5f1042

Bonsignore, Riccardo, Thomas, Sophie R., Rigoulet, Mathilde, Jandl, Christian, Pöthig, Alexander, Bourissou, Didier, Barone, Giampaolo and Casini, Angela

2021. C-C Cross-Couplings from a Cyclometalated Au(III) CN Complex: Mechanistic Insights and synthetic developments. Chemistry - A European Journal 27 (57) , pp. 14322-14334. 10.1002/chem.202102668

Botchway, Cecil H., Tia, Richard, Evans, Adei, Dzade, Nelson Y.

and de Leeuw, Nora

2021. H-FER-Catalysed conversion of methanol to ethanol and dimethyl ether: a first-principles DFT study. South African Journal of Chemistry 71 (1) , pp. 30-35. 10520/ejc-chem-v74-nse1-a6

Bowden, Bethany, Davies-Jones, Josh A., Davies, Matthew

, Davies, Philip R.

, Morgan, David J.

, Sainna, Mala A. and Willock, David J.

2021. Investigating the effects of surface adsorbates on gold and palladium deposition on carbon. Topics in Catalysis 64 , pp. 1041-1051. 10.1007/s11244-021-01423-2

Branfoot, Callum, Young, Tom A., Wass, Duncan F.

and Pringle, Paul G. 2021. Radical-initiated P,P-metathesis reactions of diphosphanes: evidence from experimental and computational studies. Dalton Transactions 50 (20) , pp. 7094-7104. 10.1039/D1DT01013A

Briggs, Lydia, Newby, Ruth, Han, Xue, Morris, Christopher G., Savage, Mathew, Krap, Cristina Perez, Easun, Timothy L.

, Frogley, Mark D., Cinque, Gianfelice, Murray, Claire A., Tang, Chiu C., Sun, Junliang, Yang, Sihai and Schröder, Martin 2021. Binding and separation of CO2, SO2 and C2H2 in homo- and hetero-metallic metal-organic framework materials. Journal of Materials Chemistry A 9 (11) , pp. 7190-7197. 10.1039/D1TA00687H

Campisi, Dario, Lamberts, Thanja, Dzade, Nelson Y.

, Martinazzo, Rocco, ten Kate, Inge Loes and Tielens, Alexander G. G. M. 2021. Interaction of aromatic molecules with forsterite: accuracy of the periodic DFT-D4 method. The Journal of Physical Chemistry A 125 (13) , pp. 2770-2781. 10.1021/acs.jpca.1c02326

Carter, James, Bere, Takudzwa, Pitchers, Jack, Hewes, Daniel, Vandegehuchte, Bart D., Kiely, Christopher

, Taylor, Stuart H.

and Hutchings, Graham

2021. Direct and oxidative dehydrogenation of propane: From catalyst design to industrial application. Green Chemistry 23 (24) , pp. 9747-9799. 10.1039/D1GC03700E

Casini, Angela

and Thomas, Sophie R. 2021. The beauty of gold: knowledge of mechanisms leads to different applications of organogold compounds in medicine and catalysis. Chemistry Letters 50 (8) , pp. 1516-1522. 10.1246/cl.210238

Catlow, C. Richard A. 2021. Concluding remarks: Reaction mechanisms in catalysis: perspectives and prospects. Faraday Discussions 229 , pp. 502-513. 10.1039/D1FD00027F

Catlow, C. Richard A.

2021. Operando structural science of functional materials. IUCrJ 8 (5) , pp. 703-704. 10.1107/S2052252521008393

Cerrato, Erik, Rebolini, Elettra, Fabbri, Debora, Calza, Paola and Paganini, Maria Cristina 2021. Ternary systems based on ZnO/CeO2/Cu2O for the degradation of phenol and carbamazepine. Journal of Alloys and Compounds 856 , 158167. 10.1016/j.jallcom.2020.158167

Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit, Pattisson, Samuel, Hutchings, Graham J.

and Kaowphong, Sulawan 2021. Enhanced photocatalytic degradation of organic pollutants and hydrogen production by a visible light-responsive Bi2WO6/ZnIn2S4 heterojunction. Applied Surface Science 544 , 148885. 10.1016/j.apsusc.2020.148885

Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit and Kaowphong, Sulawan 2021. Double Z-scheme FeVO4/Bi4O5Br2/BiOBr ternary heterojunction photocatalyst for simultaneous photocatalytic removal of hexavalent chromium and rhodamine B. Journal of Colloid and Interface Science 603 , pp. 738-757. 10.1016/j.jcis.2021.06.124

Chaffey, Dawn R., Bere, Takudzwa, Davies, Thomas E., Apperley, David C., Taylor, Stuart H.

and Graham, Andrew E. 2021. Conversion of levulinic acid to levulinate ester biofuels by heterogeneous catalysts in the presence of acetals and ketals. Applied Catalysis B: Environmental 293 , 120219. 10.1016/j.apcatb.2021.120219

Chauhan, Ratna, Shinde, Manish, Sethi, Yogesh, Waghadkar, Yogesh, Rondiya, Sachin R., Dzade, Nelson Y.

, Gosavi, Suresh and Muddassir, Mohd. 2021. Indium-doped ZnOas efficient photosensitive material for sunlight driven hydrogen generation and DSSC applications: integrated experimental and computational approach. Journal of Solid State Electrochemistry 25 (8-9) , pp. 2279-2292. 10.1007/s10008-021-04999-7

Chen, Huanhao, Chansai, Sarayute, Xu, Shaojun, Xu, Shanshan, Mu, Yibing, Hardacre, Christopher and Fan, Xiaolei 2021. Dry reforming of methane on bimetallic Pt–Ni@CeO2 catalyst: a in situ DRIFTS-MS mechanistic study. Catalysis Science & Technology 11 (15) , pp. 5260-5272. 10.1039/D1CY00382H

Cherevotan, Arjun, Raj, Jithu, Dheer, Lakshay, Roy, Soumyabrata, Sarkar, Shreya, Das, Risov, Vinod, Chathakudath P., Xu, Shaojun, Wells, Peter, Waghmare, Umesh V. and Peter, Sebastian C. 2021. Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol. ACS Energy Letters 6 (2) , 509–516. 10.1021/acsenergylett.0c02614

Cherkasov, Nikolay, Murzin, Dmitry Yu., Catlow, C. Richard A. and Chutia, Arunabhiram 2021. Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation: a direct liquid-phase adsorption study. Catalysis Science & Technology 11 (18) , pp. 6205-6216. 10.1039/D1CY01016F

Chikate, Parameshwar R., Sharma, Alfa, Rondiya, Sachin R., Cross, Russell W., Dzade, Nelson Y.

, Shirage, Parasharam M. and Devan, Rupesh S. 2021. Hierarchically interconnected ZnO nanowires for low-temperature-operated reducing gas sensors: experimental and DFT studies. New Journal of Chemistry 45 (3) , pp. 1404-1414. 10.1039/D0NJ05231K

Craco, L., Carara, S. S. and Leoni, S.

2021. Landau-Fermi liquidness and s-wave superconducting properties of pressurized gray phosphorus. The European Physical Journal B 94 (5) , 115. 10.1140/epjb/s10051-021-00121-y

Craco, L., Carara, S. S. and Leoni, S.

2021. Interplay of electric field and disorder in Dirac liquid silicene. The European Physical Journal B 94 (2) , 47. 10.1140/epjb/s10051-021-00055-5

Craco, L. and Leoni, S.

2021. Orbital-selective nature of the 3d electronic structure of the ThFeAsN superconductor. Physical Review B 103 (7) , 075110. 10.1103/PhysRevB.103.075110

Craven, Holly M., Bonsignore, Riccardo, Lenis, Vasilis, Santi, Nicolo

, Berrar, Daniel, Swain, Martin, Whiteland, Helen, Casini, Angela and Hoffmann, Karl F. 2021. Identifying and validating the presence of Guanine-Quadruplexes (G4) within the blood fluke parasite Schistosoma mansoni. PLoS Neglected Tropical Diseases 15 (2) , e0008770. 10.1371/journal.pntd.0008770

Crombie, Caitlin M., Lewis, Richard J., Kovačič, Dávid, Morgan, David J.

, Davies, Thomas E., Edwards, Jennifer. K.

, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J.

2021. The influence of reaction conditions on the oxidation of cyclohexane via the in-situ production of H2O2. Catalysis Letters 151 , pp. 164-171. 10.1007/s10562-020-03281-1

Crombie, Caitlin M., Lewis, Richard J., Kovačič, Dávid, Morgan, David J.

, Slater, Thomas J. A.

, Davies, Thomas E., Edwards, Jennifer. K.

, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J.

2021. The selective oxidation of cyclohexane via In-situ H2O2 production over supported Pd-based catalysts. Catalysis Letters 151 , pp. 2762-2774. 10.1007/s10562-020-03511-6

Crombie, Caitlin M., Lewis, Richard J., Taylor, Rebekah L., Morgan, David J.

, Davies, Thomas E., Folli, Andrea

, Murphy, Damien M.

, Edwards, Jennifer K.

, Qi, Jizhen, Jiang, Haoyu, Kiely, Christopher J.

, Liu, Xi, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J.

2021. Enhanced selective oxidation of benzyl alcohol via in situ H2O2 production over supported Pd-based catalysts. ACS Catalysis 11 , 2701–2714. 10.1021/acscatal.0c04586

Cross, Russell W., Rondiya, Sachin R. and Dzade, Nelson Y.

2021. First-principles DFT Insights into the adsorption of hydrazine on bimetallic β1-NiZn catalyst: implications for direct hydrazine fuel cells. Applied Surface Science 536 , 147648. 10.1016/j.apsusc.2020.147648

Cross, Russell W., Rondiya, Sachin R. and Dzade, Nelson Y.

2021. Theoretical Insights into the hydrogen evolution reaction on the Ni3N electrocatalyst. Catalysts 11 (6) , 716. 10.3390/catal11060716

Dasgupta, Ayan, Babaahmadi, Rasool, Pahar, Sanjukta, Stefkova, Katarina, Gierlichs, Lukas, Yates, Brian F., Ariafard, Alireza and Melen, Rebecca L.

2021. Tris(pentafluorophenyl)borane-catalyzed carbenium ion generation and autocatalytic pyrazole synthesis-a computational and experimental study. Angewandte Chemie International Edition 60 (46) , pp. 24395-24399. 10.1002/anie.202109744

Dasgupta, Ayan, Babaahmadi, Rasool, Pahar, Sanjukta, Stefkova, Katarina, Gierlichs, Lukas, Yates, Brian F., Ariafard, Alireza and Melen, Rebecca L.

2021. Tris(pentafluorphenyl)boran-katalysierte Erzeugung von Carbenium-Ionen und autokatalytische Pyrazol-Synthese – eine theoretische und experimentelle Studie. Angewandte Chemie 133 (46) , pp. 24599-24604. 10.1002/ange.202109744

Dasgupta, Ayan and Melen, Rebecca L.

2021. Shared success - s-block cooperativity toward triazoles. Chem Catalysis 1 (6) , pp. 1158-1160. 10.1016/j.checat.2021.10.020

Dasgupta, Ayan, Stefkova, Katarina, Babaahmadi, Rasool, Yates, Brian F., Buurma, Niklaas J.

, Ariafard, Alireza, Richards, Emma

and Melen, Rebecca L.

2021. Site-selective Csp3–Csp/Csp3–Csp2 cross-coupling reactions using frustrated Lewis pairs. Journal of the American Chemical Society 143 (11) , pp. 4451-4464. 10.1021/jacs.1c01622

Dasgupta, Ayan, Thiehoff, Christian, Newman, Paul D.

, Wirth, Thomas

and Melen, Rebecca L.

2021. Reactions promoted by hypervalent iodine reagents and boron Lewis acids. Organic and Biomolecular Chemistry 19 (22) , pp. 4852-4865. 10.1039/D1OB00740H

Dawson, Simon R., Pattisson, Samuel, Malta, Grazia, Dummer, Nicholas F.

, Smith, Louise R., Lazaridou, Anna, Allen, Christopher S., Davies, Thomas E., Freakley, Simon J., Kondrat, Simon A, Kiely, Christopher J.

, Johnston, Peter and Hutchings, Graham J.

2021. Sulfur promotion in Au/C catalyzed acetylene hydrochlorination. Small 17 (16) , 2007221. 10.1002/smll.202007221

Dawson, William M., Lang, Eric J. M., Rhys, Guto G., Shelley, Kathryn L., Williams, Christopher, Brady, R. Leo, Crump, Matthew P., Mulholland, Adrian J. and Woolfson, Derek N. 2021. Structural resolution of switchable states of a de novo peptide assembly. Nature Communications 12 (1) , 1530. 10.1038/s41467-021-21851-8

Dawson, William M., Martin, Freddie J. O., Rhys, Guto G., Shelley, Kathryn L., Brady, R. Leo and Woolfson, Derek N. 2021. Coiled coils 9-to-5: rational de novo design of α-helical barrels with tunable oligomeric states. Chemical Science 12 (20) , pp. 6923-6928. 10.1039/D1SC00460C

de Bitencourt Rodrigues, Higor, Oliveira de Brito Lira, Jéssica, Padoin, Natan, Soares, Cíntia, Qurashi, Ahsanulhaq and Ahmed, Nisar

2021. Sonoelectrochemistry: ultrasound-assisted organic electrosynthesis. ACS Sustainable Chemistry and Engineering 9 (29) , pp. 9590-9603. 10.1021/acssuschemeng.1c02989

Decarolis, Donato, Clark, Adam H., Pellegrinelli, Tommaso, Nachtegaal, Maarten, Lynch, Evan W., Catlow, C. Richard A.

, Gibson, Emma K., Goguet, Alexandre and Wells, Peter P. 2021. Spatial profiling of a Pd/Al2O3 catalyst during selective ammonia oxidation. ACS Catalysis 11 , 2141–2149. 10.1021/acscatal.0c05356

Delarmelina, Maicon

, Deshmukh, Gunjan, Goguet, Alexandre, Catlow, C. Richard A. and Manyar, Haresh 2021. Role of sulfation of zirconia catalysts in vapor phase ketonization of acetic acid. Journal of Physical Chemistry C 125 (50) , pp. 27578-27595. 10.1021/acs.jpcc.1c06920

Deng, Ke, Cole, Jacqueline M., Cooper, Joshaniel F. K., Webster, John R. P., Haynes, Richard, Al Bahri, Othman K., Steinke, Nina-Juliane, Guan, Shaoliang, Stan, Liliana, Zhan, Xiaozhi, Zhu, Tao, Nye, Daniel W. and Stenning, Gavin B. G. 2021. Electrolyte/dye/TiO2 interfacial structures of dye-sensitized solar cells revealed by in situ neutron reflectometry with contrast matching. Langmuir 37 (5) , pp. 1970-1982. 10.1021/acs.langmuir.0c03508

Di Ilio, Vincenzo, Birkett, Michael A. and Pickett, John A.

2021. Effects of nicotine and tobacco-related products on the feeding behavior of the German cockroach (Blattodea: Blattellidae). Journal of Insect Science 21 (2) , 3. 10.1093/jisesa/ieaa147

Di Santo, Giovanni, Miletic, Tanja, Schwendt, Mathias, Zhou, Yating, Kariuki, Benson M.

, Harris, Kenneth D. M.

, Floreano, Luca, Goldoni, Andrea, Puschnig, Peter, Petaccia, Luca and Bonifazi, Davide

2021. Orbital mapping of semiconducting perylenes on Cu(111). Journal of Physical Chemistry C 125 (44) , pp. 24477-24486. 10.1021/acs.jpcc.1c05575

Díaz-Ortega, Ismael Francisco, Fernández-Barbosa, Eva Luz, Titos-Padilla, Silvia, Pope, Simon J. A.

, Jiménez, Juan-Ramón, Colacio, Enrique and Herrera, Juan Manuel 2021. Monitoring spin-crossover phenomena via Re(i) luminescence in hybrid Fe(ii) silica coated nanoparticles. Dalton Transactions 50 , pp. 16176-16184. 10.1039/D1DT03334D

Diniz Lessa, Milena, Fajardo, José Renato D, Delarmelina, Maicon

and Carneiro, José Walkimar de M 2021. A DFT study on the mechanism for polymerization of δ-valerolactone initiated by N-heterocyclic carbene (NHC) catalysts. Molecular Catalysis 515 , 111896. 10.1016/j.mcat.2021.111896

Doan, Huan V., Nguyen, Hoa Thi, Ting, Valeska P., Guan, Shaoliang, Eloi, Jean-Charles, Hall, Simon R. and Pham, Xuan Nui 2021. Improved photodegradation of anionic dyes using a complex graphitic carbon nitride and iron-based metal-organic framework material. Faraday Discussions 231 , pp. 81-96. 10.1039/D1FD00010A

Du, Wenjia, Hao, Zhangxiang, Iacoviello, Francesco, Sheng, Lin, Guan, Shaoliang, Zhang, Zhenyu, Brett, Daniel J. L., Wang, Feng Ryan and Shearing, Paul R. 2021. A multiscale X-ray tomography study of the cycled-induced degradation in magnesium-sulfur batteries. Small Methods 5 (5) , 2001193. 10.1002/smtd.202001193

Dzade, Nelson Y.

2021. First-principles insights into the electronic structure, optical and band alignment properties of earth-abundant Cu2SrSnS4 solar absorber. Scientific Reports 11 (1) , 4755. 10.1038/s41598-021-84037-8

Dzade, Nelson Y.

and de Leeuw, Nora H.

2021. Activating the FeS (001) surface for CO2 adsorption and reduction through the formation of sulfur vacancies: a DFT-D3 study. Catalysts 11 (1) , 127. 10.3390/catal11010127

Elsherbini, Mohamed, Osi, Arnaud, Alharbi, Haifa, Karam, Fatemah and Wirth, Thomas

2021. Sulfur-based chiral iodoarenes: an underexplored class of chiral hypervalent iodine reagents. Synthesis: Journal of Synthetic Organic Chemistry 55 , pp. 307-314. 10.1055/a-1508-9593

Epifanovsky, Evgeny, Gilbert, Andrew T. B., Feng, Xintian, Lee, Joonho, Mao, Yuezhi, Mardirossian, Narbe, Pokhilko, Pavel, White, Alec F., Coons, Marc P., Dempwolff, Adrian L., Gan, Zhengting, Hait, Diptarka, Horn, Paul R., Jacobson, Leif D., Kaliman, Ilya, Kussmann, Jörg, Lange, Adrian W., Lao, Ka Un, Levine, Daniel S., Liu, Jie, McKenzie, Simon C., Morrison, Adrian F., Nanda, Kaushik D., Plasser, Felix, Rehn, Dirk R., Vidal, Marta L., You, Zhi-Qiang, Zhu, Ying, Alam, Bushra, Albrecht, Benjamin J., Aldossary, Abdulrahman, Alguire, Ethan, Andersen, Josefine H., Athavale, Vishikh, Barton, Dennis, Begam, Khadiza, Behn, Andrew, Bellonzi, Nicole, Bernard, Yves A., Berquist, Eric J., Burton, Hugh G. A., Carreras, Abel, Carter-Fenk, Kevin, Chakraborty, Romit, Chien, Alan D., Closser, Kristina D., Cofer-Shabica, Vale, Dasgupta, Saswata, de Wergifosse, Marc, Deng, Jia, Diedenhofen, Michael, Do, Hainam, Ehlert, Sebastian, Fang, Po-Tung, Fatehi, Shervin, Feng, Qingguo, Friedhoff, Triet, Gayvert, James, Ge, Qinghui, Gidofalvi, Gergely, Goldey, Matthew, Gomes, Joe, González-Espinoza, Cristina E., Gulania, Sahil, Gunina, Anastasia O., Hanson-Heine, Magnus W. D., Harbach, Phillip H. P., Hauser, Andreas, Herbst, Michael F., Hernández Vera, Mario, Hodecker, Manuel, Holden, Zachary C., Houck, Shannon, Huang, Xunkun, Hui, Kerwin, Huynh, Bang C., Ivanov, Maxim, Jász, Ádám, Ji, Hyunjun, Jiang, Hanjie, Kaduk, Benjamin, Kähler, Sven, Khistyaev, Kirill, Kim, Jaehoon, Kis, Gergely, Klunzinger, Phil, Koczor-Benda, Zsuzsanna, Koh, Joong Hoon, Kosenkov, Dimitri, Koulias, Laura, Kowalczyk, Tim, Krauter, Caroline M., Kue, Karl, Kunitsa, Alexander, Kus, Thomas, Ladjánszki, István, Landau, Arie, Lawler, Keith V., Lefrancois, Daniel, Lehtola, Susi, Li, Run R., Li, Yi-Pei, Liang, Jiashu, Liebenthal, Marcus, Lin, Hung-Hsuan, Lin, You-Sheng, Liu, Fenglai, Liu, Kuan-Yu, Loipersberger, Matthias, Luenser, Arne, Manjanath, Aaditya, Manohar, Prashant, Mansoor, Erum, Manzer, Sam F., Mao, Shan-Ping, Marenich, Aleksandr V., Markovich, Thomas, Mason, Stephen, Maurer, Simon A., McLaughlin, Peter F., Menger, Maximilian F. S. J., Mewes, Jan-Michael, Mewes, Stefanie A., Morgante, Pierpaolo, Mullinax, J. Wayne, Oosterbaan, Katherine J., Paran, Garrette, Paul, Alexander C., Paul, Suranjan K., Pavo?evi?, Fabijan, Pei, Zheng, Prager, Stefan, Proynov, Emil I., Rák, Ádám, Ramos-Cordoba, Eloy, Rana, Bhaskar, Rask, Alan E., Rettig, Adam, Richard, Ryan M., Rob, Fazle, Rossomme, Elliot, Scheele, Tarek, Scheurer, Maximilian, Schneider, Matthias, Sergueev, Nickolai, Sharada, Shaama M., Skomorowski, Wojciech, Small, David W., Stein, Christopher J., Su, Yu-Chuan, Sundstrom, Eric J., Tao, Zhen, Thirman, Jonathan, Tornai, Gábor J., Tsuchimochi, Takashi, Tubman, Norm M., Veccham, Srimukh Prasad, Vydrov, Oleg, Wenzel, Jan, Witte, Jon, Yamada, Atsushi, Yao, Kun, Yeganeh, Sina, Yost, Shane R., Zech, Alexander, Zhang, Igor Ying, Zhang, Xing, Zhang, Yu, Zuev, Dmitry, Aspuru-Guzik, Alán, Bell, Alexis T., Besley, Nicholas A., Bravaya, Ksenia B., Brooks, Bernard R., Casanova, David, Chai, Jeng-Da, Coriani, Sonia, Cramer, Christopher J., Cserey, György, DePrince, A. Eugene, DiStasio, Robert A., Dreuw, Andreas, Dunietz, Barry D., Furlani, Thomas R., Goddard, William A., Hammes-Schiffer, Sharon, Head-Gordon, Teresa, Hehre, Warren J., Hsu, Chao-Ping, Jagau, Thomas-C., Jung, Yousung, Klamt, Andreas, Kong, Jing, Lambrecht, Daniel S., Liang, WanZhen, Mayhall, Nicholas J., McCurdy, C. William, Neaton, Jeffrey B., Ochsenfeld, Christian, Parkhill, John A., Peverati, Roberto, Rassolov, Vitaly A., Shao, Yihan, Slipchenko, Lyudmila V., Stauch, Tim, Steele, Ryan P., Subotnik, Joseph E., Thom, Alex J. W., Tkatchenko, Alexandre, Truhlar, Donald G., Van Voorhis, Troy, Wesolowski, Tomasz A., Whaley, K. Birgitta, Woodcock, H. Lee, Zimmerman, Paul M., Faraji, Shirin, Gill, Peter M. W., Head-Gordon, Martin, Herbert, John M. and Krylov, Anna I. 2021. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics 155 (8) , 084801. 10.1063/5.0055522

Escobar Steinvall, Simon, Stutz, Elias Z., Paul, Rajrupa, Zamani, Mahdi, Dzade, Nelson Y.

, Piazza, Valerio, Friedl, Martin, de Mestral, Virginie, Leran, Jean-Baptiste, Zamani, Reza R. and Fontcuberta i Morral, Anna 2021. Towards defect-free thin films of the earth-abundant absorber zinc phosphide by nanopatterning. Nanoscale Advances 3 10.1039/D0NA00841A

Evangelista, Tereza Cristina Santos, Delarmelina, Maicon

, Addla, Dinesh, Allão, Rafael A., Kaiser, Carlos Roland, Carneiro, José Walkimar de M., Silva-Jr, Floriano Paes and Ferreira, Sabrina Baptista 2021. Influence of temperature for the azide displacement in benzodiazepine derivatives: Experimental and DFT study of competing SN1, SN2 and double SN2 reaction pathways. Tetrahedron Letters 68 , 152937. 10.1016/j.tetlet.2021.152937

Evans, Kieren J.

, Morton, Paul A., Luz, Christian, Miller, Callum, Raine, Olivia, Lynam, Jason M. and Mansell, Stephen M. 2021. Rhodium Indenyl NHC and Fluorenyl-Tethered NHC Half-Sandwich Complexes: Synthesis, Structures and Applications in the Catalytic C−H Borylation of Arenes and Alkanes. Chemistry - A European Journal 27 (71) , pp. 17824-17833. 10.1002/chem.202102961

Evans, Kieren J.

, Morton, Paul A., Sangster, Calum and Mansell, Stephen M. 2021. One-step synthesis of heteroleptic rare-earth amide complexes featuring fluorenyl-tethered N-heterocyclic carbene ligands. Polyhedron 197 , 115021. 10.1016/j.poly.2021.115021

Exner, Rüdiger M., Paisey, Stephen J.

, Redman, James E.

and Pascu, Sofia I. 2021. Explorations into peptide nucleic acid contrast agents as emerging scaffolds for breakthrough solutions in medical imaging and diagnosis. ACS Omega 6 (43) , pp. 28455-28462. 10.1021/acsomega.1c03994

Fadeeva, Anastasiia I., Gorbunov, Vitaly A., Stishenko, Pavel V., Akimenko, Sergey S. and Myshlyavtsev, Alexander V. 2021. Melting of Fe-terephthalate layers on Cu(100) surface with randomly distributed point defects. Applied Surface Science 545 , 148989. 10.1016/j.apsusc.2021.148989

Fairley, Neal, Fernandez, Vincent, Richard-Plouet, Mireille, Guillot-Deudon, Catherine, Walton, John, Smith, Emily, Flahaut, Delphine, Greiner, Mark, Biesinger, Mark, Tougaard, Sven, Morgan, David

and Baltrusaitis, Jonas 2021. Systematic and collaborative approach to problem solving using X-ray photoelectron spectroscopy. Applied Surface Science Advances 5 , 100112. 10.1016/j.apsadv.2021.100112

Fang, L., Yan, Z., Wu, J., Bugaev, A., Lamberti, C. and Pera-Titus, M. 2021. Highly selective Ru/HBEA catalyst for the direct amination of fatty alcohols with ammonia. Applied Catalysis B: Environmental 286 , 119942. 10.1016/j.apcatb.2021.119942

Fang, Huihuang, Chen, Weikun, Wu, Lijie, Zhao, Pu, Roldan Martinez, Alberto

and Yuan, Youzhu 2021. Stable and antisintering tungsten carbides with controllable active phase for selective cleavage of aryl ether C-O bonds. ACS Applied Materials and Interfaces 13 (7) , pp. 8274-8284. 10.1021/acsami.0c19599

Farkas, Barbara and de Leeuw, Nora H.

2021. Effect of coverage on the magnetic properties of -COOH, -SH, and -NH2 ligand-protected cobalt nanoparticles. Nanoscale 13 (27) , pp. 11844-11855. 10.1039/D1NR01081F

Farkas, Barbara and de Leeuw, Nora H.

2021. A perspective on modelling metallic magnetic nanoparticles in biomedicine: From monometals to nanoalloys and ligand-protected particles. Materials 14 (13) , 3611. 10.3390/ma14133611

Farkaš, Barbara, Terranova, Umberto and de Leeuw, Nora H.

2021. The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study. Journal of Materials Chemistry B: Materials for biology and medicine 9 (24) , pp. 4915-4928. 10.1039/D0TB02928A

Fasano, Francesco, Dosso, Jacopo

, Bezzu, C. Grazia, Carta, Mariolino

, Kerff, François, Demitri, Nicola, Su, Bao-Lian and Bonifazi, Davide

2021. BN‐doped metal–organic frameworks: tailoring 2D and 3D porous architectures through molecular editing of borazines. Chemistry - A European Journal 27 (12) , pp. 4124-4133. 10.1002/chem.202004640

Faulkner, Christopher and de Leeuw, Nora H.

2021. Predicting the membrane permeability of fentanyl and its analogues by molecular dynamics simulations. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry) 125 (30) , pp. 8443-8449. 10.1021/acs.jpcb.1c05438

Felemban, Sarah A., Bezzu, C. Grazia, Comesaña-Gándara, Bibiana, Jansen, Johannes C., Fuoco, Alessio, Esposito, Elisa, Carta, Mariolino and McKeown, Neil B. 2021. Synthesis and gas permeation properties of tetraoxidethianthrene-based polymers of intrinsic microporosity. Journal of Materials Chemistry A 9 , pp. 2840-2849. 10.1039/D0TA10134F

Fitzgerald, Sophie A., Otaif, Haleema Y., Elgar, Christopher E., Sawicka, Natalia, Horton, Peter N., Coles, Simon J., Beames, Joseph M.

and Pope, Simon J. A.

2021. Polysubstituted ligand framework for color tuning phosphorescent iridium(III) complexes. Inorganic Chemistry 60 (20) , pp. 15467-15484. 10.1021/acs.inorgchem.1c02121

Folli, Andrea

, Ritterskamp, Nadine, Richards, Emma

, Platts, James A.

and Murphy, Damien M.

2021. Probing the structure of copper(II)-casiopeina type coordination complexes [Cu(O-O)(N-N)]+ by EPR and ENDOR spectroscopy. Journal of Catalysis 394 , pp. 220-227. 10.1016/j.jcat.2020.07.016

Fransson, Thomas, Brumboiu, Iulia E., Vidal, Marta L., Norman, Patrick, Coriani, Sonia and Dreuw, Andreas 2021. XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions. Journal of Chemical Theory and Computation 17 (3) , pp. 1618-1637. 10.1021/acs.jctc.0c01082

Freakley, Simon J., Dimitratos, Nikolaos

, Willock, David J.

, Taylor, Stuart H.

, Kiely, Christopher J.

and Hutchings, Graham J.

2021. Methane oxidation to methanol in water. Accounts of Chemical Research 54 (11) , 2614–2623. 10.1021/acs.accounts.1c00129

Galmés, Miquel À., Nodling, Alexander R., Luk, Louis

, Swiderek, Katarzyna and Moliner, Vicent 2021. Combined theoretical and experimental study to unravel the differences in promiscuous amidase activity of two nonhomologous enzymes. ACS Catalysis 11 (14) , pp. 8635-8644. 10.1021/acscatal.1c02150

Gao, L., Miletto, I., Ivaldi, C., Paul, G., Marchese, L., Coluccia, S., Jiang, F., Gianotti, E. and Pera-Titus, M. 2021. Rational design of bifunctional hierarchical Pd/SAPO-5 for the synthesis of tetrahydrofuran derivatives from furfural. Journal of Catalysis 397 , pp. 75-89. 10.1016/j.jcat.2021.03.003

Gao, Zhuyan, Luo, Nengchao, Huang, Zhipeng, Taylor, Stuart H.

and Wang, Feng 2021. Controlling radical intermediates in photocatalytic conversion of low-carbon-number alcohols. ACS Sustainable Chemistry and Engineering 9 (18) , 6188–6202. 10.1021/acssuschemeng.1c01066

Ge, Mengyu, Molt, Robert W., Jenkins, Huw T., Blackburn, G. Michael, Jin, Yi

and Antson, Alfred A. 2021. Octahedral Trifluoromagnesate, an anomalous metal fluoride species, stabilizes the transition state in a biological motor. ACS Catalysis 11 , 2769–2773. 10.1021/acscatal.0c04500

Ghani, Hassan, Yousif, Emad, Ahmed, Dina S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. Tin complexes of 4-(Benzylideneamino)benzenesulfonamide: synthesis, structure elucidation and their efficiency as PVC photostabilizers. Polymers 13 (15) , 2434. 10.3390/polym13152434

Gorman, Sam, Rickaby, Kirstie, Lu, Li, Kiely, Christopher J.

, Macphee, Donald E. and Folli, Andrea

2021. A combination of EPR, microscopy, electrophoresis and theory to elucidate the chemistry of W- and N-Doped TiO2 nanoparticle/water interfaces. Catalysts 11 (11) , 1305. 10.3390/catal11111305

Greer, Adam J., Taylor, S. F. Rebecca, Daly, Helen, Quesne, Matthew G., de Leeuw, Nora H.

, Catlow, C. Richard A.

, Jacquemin, Johan and Hardacre, Christopher 2021. Combined experimental and theoretical study of the competitive absorption of CO2 and NO2 by a superbase ionic liquid. ACS Sustainable Chemistry and Engineering 9 (22) , 7578–7586. 10.1021/acssuschemeng.1c01451

Guadix-Montero, Susana, Santos Hernandez, Alba, Lei, Nian, Morgan, David J.

, He, Qian

, Wang, Aiqin, Zhang, Tao, Roldan, Alberto

and Sankar, Meenakshisundaram

2021. Controlling the selectivity of supported Ru nanoparticles during glycerol hydrogenolysis: C−O vs C−C cleavage. ChemCatChem 13 (6) , pp. 1595-1606. 10.1002/cctc.202001881

Guan, Shaoliang, Rossi, Giovanni E., Winfield, John M., Wilson, Claire, MacLaren, Donald, Morgan, David J.

, Davies, Philip R.

, Willock, David J.

and Lennon, David 2021. The interaction of CO with a copper(ii) chloride oxy-chlorination catalyst. Faraday Discussions 229 , pp. 318-340. 10.1039/D0FD00014K

Hadi, Angham G., Baqir, Sadiq J., Ahmed, Dina S., El-Hiti, Gamal A., Hashim, Hassan, Ahmed, Ahmed, Kariuki, Benson M.

and Yousif, Emad 2021. Substituted organotin complexes of 4-methoxybenzoic acid for reduction of poly(vinyl chloride) photodegradation. Polymers 13 (22) , 3946. 10.3390/polym13223946

Halbert, Loïc, Vidal, Marta L., Shee, Avijit, Coriani, Sonia and Severo Pereira Gomes, André 2021. Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb(−Gaunt) Hamiltonian. Journal of Chemical Theory and Computation 17 (6) , pp. 3583-3598. 10.1021/acs.jctc.0c01203

Hardwick, Tomas and Ahmed, Nisar

2021. C-H functionalization via electrophotocatalysis and photoelectrochemistry: complementary synthetic approach. ACS Sustainable Chemistry and Engineering 9 (12) , pp. 4324-4340. 10.1021/acssuschemeng.0c08434

Hareesh, K., Rondiya, Sachin R., Dzade, Nelson Y.

, Dhole, S.D., Williams, Jim and Sergey, Samarin 2021. Polymer-wrapped reduced graphene oxide/nickel cobalt ferrite nanocomposites as tertiary hybrid supercapacitors: insights from experiment and simulation. Journal of Science: Advanced Materials and Devices 6 (2) , pp. 291-301. 10.1016/j.jsamd.2021.03.001

Harnedy, James, Hareram, Mishra Deepak, Tizzard, Graham J., Coles, Simon J. and Morrill, Louis C.

2021. Electrochemical oxidative Z-selective C(sp2)-H chlorination of acrylamides. Chemical Communications 57 (94) , pp. 12643-12646. 10.1039/D1CC05824J

Hartley, P., Egdell, R. G., Zhang, K. H. L., Hohmann, M. V., Piper, L. F. J., Morgan, D. J.

, Scanlon, D. O., Williamson, B. A. D. and Regoutz, A. 2021. Experimental and theoretical study of the electronic structures of lanthanide indium perovskites LnInO3. Journal of Physical Chemistry C 125 (11) , pp. 6387-6400. 10.1021/acs.jpcc.0c11592

Hawkins, Bryson A., Han, Jaeyeon, Du, Jonathan J., Lai, Felcia, Stanton, Stephen A., Divakarla, Shravan S., Groundwater, Paul W., Platts, James A.

and Hibbs, David E. 2021. Analyzing hydration differences in cocrystal polymorphs: high-resolution X-ray investigation of caffeine-glutaric acid cocrystals. Crystal Growth and Design 21 (8) , pp. 4456-4467. 10.1021/acs.cgd.1c00358

Hayes, Heather C., Luk, Louis Y. P.

and Tsai, Yu-Hsuan

2021. Approaches for peptide and protein cyclisation. Organic and Biomolecular Chemistry 19 (18) , pp. 3983-4001. 10.1039/D1OB00411E

Hernandez Tamargo, Carlos, Silverwood, Ian P., O'Malley, Alexander J. and Leeuw, Nora H. de 2021. Quasielastic neutron scattering and molecular dynamics simulation study on the molecular behaviour of catechol in zeolite Beta. Topics in Catalysis 64 , pp. 707-721. 10.1007/s11244-020-01400-1

Hernandez-Tamargo, Carlos, Kwakye-Awuah, Bright, O'Malley, Alexander J. and de Leeuw, Nora H.

2021. Mercury exchange in zeolites Na-A and Na-Y studied by classical molecular dynamics simulations and ion exchange experiments. Microporous and Mesoporous Materials 315 , 110903. 10.1016/j.micromeso.2021.110903

Hong, Yerin, Cho, Yongjoon, Go, Eun Min, Sharma, Pankaj

, Cho, Hyeonjin, Lee, Byongkyu, Lee, Sang Myeon, Park, Sung O., Ko, Myohwa, Kwak, Sang Kyu, Yang, Changduk and Jang, Ji-Wook 2021. Unassisted photocatalytic H2O2 production under visible light by fluorinated polymer-TiO2 heterojunction. Chemical Engineering Journal 418 , 129346. 10.1016/j.cej.2021.129346

Hou, Qing, Buckeridge, John, Walsh, Aron, Xie, Zijuan, Lu, You, Keal, Thomas W., Guan, Jingcheng, Woodley, Scott M., Catlow, C. Richard A.

and Sokol, Alexey A. 2021. The interplay of interstitial and substitutional copper in zinc oxide. Frontiers in Chemistry 9 , 780935. 10.3389/fchem.2021.780935

Hu, H., Ramzan, A., Wischert, R., Jerôme, F., Michel, C., de Olivera Vigier, K. and Pera-Titus, M. 2021. Pivotal role of H2 in the isomerisation of isosorbide over a Ru/C catalyst. Catalysis Science & Technology 11 (24) , pp. 7973-7981. 10.1039/D1CY01709H

Hussain, Mian Zahid, Yang, Zhuxian, Linden, Bart van der, Huang, Zheng, Jia, Quanli, Cerrato, Erik, Fischer, Roland A., Kapteijn, Freek, Zhu, Yanqiu and Xia, Yongde 2021. Surface functionalized N-C-TiO2/C nanocomposites derived from metal-organic framework in water vapour for enhanced photocatalytic H2 generation. Journal of Energy Chemistry 57 , pp. 485-495. 10.1016/j.jechem.2020.08.048

Hutchings, Graham

2021. Spiers memorial lecture: understanding reaction mechanisms in heterogeneously catalysed reactions. Faraday Discussions 229 , pp. 9-34. 10.1039/D1FD00023C

Iantaffi, Caterina, Leung, Chu Lun Alex, Chen, Yunhui, Guan, Shaoliang, Atwood, Robert C., Lertthanasarn, Jedsada, Pham, Minh-Son, Meisnar, Martina, Rohr, Thomas and Lee, Peter D. 2021. Oxidation induced mechanisms during directed energy deposition additive manufactured titanium alloy builds. Additive Manufacturing Letters 1 , 100022. 10.1016/j.addlet.2021.100022

Inns, Donald R., Mayer, Alexander J., Skukauskas, Vainius, Davies, Thomas E., Callison, June and Kondrat, Simon A. 2021. Evaluating the activity and stability of perovskite LaMO3-based Pt catalysts in the aqueous phase reforming of glycerol. Topics in Catalysis 64 , pp. 992-1009. 10.1007/s11244-021-01449-6

Isaacs, Mark A., Davies-Jones, Josh, Davies, Philip R.

, Guan, Shaoliang, Lee, Roxy, Morgan, David J.

, Palgrave, Robert and 2021. Advanced XPS characterization: XPS-based multi-technique analyses for comprehensive understanding of functional materials. Materials Chemistry Frontiers 5 (22) , pp. 7931-7963. 10.1039/D1QM00969A

Jadhav, Chandradip D., Rondiya, Sachin R., Hambire, Reshma C., Baviskar, Devashri R., Deore, Avinash V., Cross, Russell W., Dzade, Nelson Y.

and Chavan, Padmakar G. 2021. Highly efficient field emission properties of vertically aligned 2D CuSe nanosheets: an experimental and theoretical investigation. Journal of Alloys and Compounds 875 , 159987. 10.1016/j.jallcom.2021.159987

Jathar, Sagar B., Rondiya, Sachin R., Jadhav, Yogesh A., Nilegave, Dhanaraj S., Cross, Russell W., Barma, Sunil V., Nasane, Mamta P., Gaware, Shankar A., Bade, Bharat R., Jadkar, Sandesh R., Funde, Adinath M. and Dzade, Nelson Y.

2021. Ternary Cu2SnS3: synthesis, structure, photoelectrochemical activity, and heterojunction band offset and alignment. Chemistry of Materials 33 (6) , pp. 1983-1993. 10.1021/acs.chemmater.0c03223

Jerwood, Kimberley, Lowy, Phoebe, Deeming, Laura, Kariuki, Benson M.

and Newman, Paul D.

2021. Remote control: stereoselective coordination of electron-deficient 2,2′-bipyridine ligands to Re(i) and Ir(iii) cores. Dalton Transactions 50 (45) , pp. 16459-16463. 10.1039/D1DT02928B

Jia, Zhiyong, Rondiya, Sachin R., Cross, Russell W., Wang, Cheng, Dzade, Nelson Y.

and Zhang, Chuang 2021. Highly active methanol oxidation electrocatalyst based on 2D NiO porous nanosheets:a combined computational and experimental study. Electrochimica Acta 394 , 139143. 10.1016/j.electacta.2021.139143

Jones, Andrew C., Nicholson, William I., Leitch, Jamie A. and Browne, Duncan L.

2021. A ball-milling-enabled cross-electrophile coupling. Organic Letters 23 (16) , 6337–6341. 10.1021/acs.orglett.1c02096

Jones, Corey L., Hughes, Colan E., Yeung, Hamish H.-M., Paul, Alison

, Harris, Kenneth D. M.

and Easun, Timothy L.

2021. Exploiting in-situ NMR to monitor the formation of a metal-organic framework. Chemical Science 12 (4) , pp. 1486-1494. 10.1039/D0SC04892E

Juramy, Marie, Chèvre, Romain, Cerreia Vioglio, Paolo, Ziarelli, Fabio, Besson, Eric, Gastaldi, Stéphane, Viel, Stéphane, Thureau, Pierre, Harris, Kenneth D. M.

and Mollica, Giulia 2021. Monitoring crystallization processes in confined porous materials by dynamic nuclear polarization solid-state nuclear magnetic resonance. Journal of the American Chemical Society 143 (16) , pp. 6095-6103. 10.1021/jacs.0c12982

Kabalan, Lara, Kowalec, Igor, Catlow, C. Richard A. and Logsdail, Andrew J.

2021. A computational study of the properties of low- and high-index Pd, Cu and Zn surfaces. Physical Chemistry Chemical Physics 23 (27) , pp. 14649-14661. 10.1039/D1CP01602D

Kaehler, Tanja and Melen, Rebecca L.

2021. Comparative study of fluorinated triarylalanes and their borane counterparts. Cell Reports Physical Science 2 (10) , 100595. 10.1016/j.xcrp.2021.100595

Kaler, Sandeep, McKeown, Paul, Ward, Benjamin D.

and Jones, Matthew D. 2021. Aluminium(iii) and zinc(ii) complexes of azobenzene-containing ligands for ring-opening polymerisation of ε-caprolactone and rac-lactide. Inorganic Chemistry Frontiers 8 (3) , pp. 711-719. 10.1039/D0QI01303J

Kandil, Sahar B.

, Kariuki, Benson M.

, McGuigan, Christopher

and Westwell, Andrew D.

2021. Synthesis, biological evaluation and X-ray analysis of bicalutamide sulfoxide analogues for the potential treatment of prostate cancer. Bioorganic and Medicinal Chemistry Letters 36 , 127817. 10.1016/j.bmcl.2021.127817

Kang, Liqun, Wang, Bolun, Güntner, Andreas T., Xu, Siyuan, Wan, Xuhao, Liu, Yiyun, Marlow, Sushila, Ren, Yifei, Gianolio, Diego, Tang, Chiu C., Murzin, Vadim, Asakura, Hiroyuki, He, Qian

, Guan, Shaoliang, Velasco-Vélez, Juan J., Pratsinis, Sotiris E., Guo, Yuzheng and Wang, Feng Ryan 2021. The electrophilicity of surface carbon species in the redox reactions of CuO-CeO2 catalysts. Angewandte Chemie International Edition 60 (26) 10.1002/anie.202102570

Kaowphong, Sulawan, Chachvalvutikul, Auttaphon, Hongsith, Niyom, Ren, James and Prasatkhetragarn, Anurak 2021. Synthesis of NiO nanostructures by sonocatalyzed microwave irradiation technique and their acetone sensing properties. Integrated Ferroelectrics 214 (1) , pp. 205-216. 10.1080/10584587.2020.1857197

Kariuki, Benson M.

, Abdel Wahab, Bakr F. and El-Hiti, Gamal A. 2021. Synthesis and structural characterization of Isostructural 4-(4-Aryl)-2-(5-(4-fluorophenyl)-3-(1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazoles. Crystals 11 (7) , 795. 10.3390/cryst11070795

Kariuki, Benson M.

, Platts, James A.

and Newman, Paul D.

2021. A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes. RSC Advances 11 (54) , pp. 34170-34173. 10.1039/D1RA06581E

Kennedy-Britten, Oliver, Al Shammari, Nadiyah and Platts, James A.

2021. Molecular dynamics simulations of copper binding to N-terminus mutants of amyloid-β. Journal of Biomolecular Structure and Dynamics 39 (6) , pp. 2003-2013. 10.1080/07391102.2020.1745692

Kennedy-Britten, Oliver D., Alshammari, Nadiyah and Platts, James A.

2021. Accelerated molecular dynamics to explore the binding of transition metals to amyloid-β. ACS Chemical Neuroscience 12 (21) , pp. 4065-4075. 10.1021/acschemneuro.1c00466

Kennedy, Julia

, Hayward, James, Davies, Philip

and Bowker, Michael

2021. Hydrogen production by the photo-reforming of methanol and the photocatalytic water gas shift reaction. Journal of Physics: Energy 3 (2) , 024007. 10.1088/2515-7655/abdd82

Khan, Md. Nasim and Wirth, Thomas

2021. Chiral Triptycenes: concepts, progress and prospects. Chemistry - A European Journal 27 (24) , pp. 7059-7068. 10.1002/chem.202005317

Kim, Young Jin, Kim, Min-Zy, Alam, Syed Fakhar, Rehman, Aafaq ur, Devipriyanka, Arepalli, Sharma, Pankaj

, Lee, Hye Ryeon and Cho, Churl-Hee 2021. Polarity-dependent particle size of zeolitic imidazolate framework synthesized in various solvents. Materials Chemistry and Physics: Including Materials Science Communications 259 , 124021. 10.1016/j.matchemphys.2020.124021

King, Ashley M., Wingad, Richard L., Pridmore, Natalie E., Pringle, Paul G. and Wass, Duncan F.

2021. Rhenium complexes bearing tridentate and bidentate phosphinoamine ligands in the production of biofuel alcohols via the Guerbet reaction. Organometallics 40 (16) , pp. 2844-2851. 10.1021/acs.organomet.1c00313

Kitchamsetti, Narasimharao, Ramteke, Mrunmay S., Rondiya, Sachin R., Mulani, Sameena R., Patil, Madhuri S., Cross, Russell W., Dzade, Nelson Y.

and Devan, Rupesh S. 2021. DFT and experimental investigations on the photocatalytic activities of NiO nanobelts for removal of organic pollutants. Journal of Alloys and Compounds 855 (P1) , 157337. 10.1016/j.jallcom.2020.157337

Koczor, Sándor, Vuts, József, Caulfield, John C., Withall, David M., Sarria, André, Pickett, John A.

, Birkett, Michael A., Csonka, Éva Bálintné and Tóth, Miklós 2021. Sex pheromone of the alfalfa plant bug, Adelphocoris lineolatus: pheromone composition and antagonistic effect of 1-hexanol (Hemiptera: Miridae). Journal of Chemical Ecology 47 , pp. 525-533. 10.1007/s10886-021-01273-y

Kohlrausch, Emerson C., Centurion, Higor Andrade, Lodge, Rhys W., Luo, Xuanli, Slater, Thomas

, Santos, Marcos J. L., Ling, Sanliang, Mastelaro, Valmor R., Cliffe, Matthew J., Goncalves, Renato Vitalino and Alves Fernandes, Jesum 2021. A high-throughput, solvent free method for dispersing metal atoms directly onto supports. Journal of Materials Chemistry A: materials for energy and sustainability 9 (47) , pp. 26676-26679. 10.1039/D1TA08372D

Kumar, Ankit, Mishra, Pawan K.

, Saini, Kapil Mohan and Verma, Akhilesh K. 2021. Base‐promoted synthesis of polysubstituted 4‐aminoquinolines from ynones and 2‐aminobenzonitriles under transition‐metal‐free conditions. Advanced Synthesis and Catalysis 363 (10) , pp. 2546-2551. 10.1002/adsc.202100023

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D., Bion, Nicolas, Catlow, C. Richard A.

and Hargreaves, Justin S. J. 2021. Combination of theoretical and in situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis. Faraday Discussions 229 , pp. 281-296. 10.1039/C9FD00131J

Lai, Kuan-Yu, Galan, Sébastien R.G., Zeng, Yibo, Zhou, Tianhui Hina, He, Chang, Raj, Ritu, Riedl, Jitka, Liu, Shi, Chooi, K. Phin, Garg, Neha, Zeng, Min, Jones, Lyn H., Hutchings, Graham J.

, Mohammed, Shabaz, Nair, Satish K., Chen, Jie, Davis, Benjamin G. and van der Donk, Wilfred A. 2021. LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome. Cell 184 (10) 10.1016/j.cell.2021.04.001

Lee, Jae Hwa, Cho, Hyeonjin, Park, Sung O., Hwang, Jeong Min, Hong, Yerin, Sharma, Pankaj

, Jeon, Woo Cheol, Cho, Yongjoon, Yang, Changduk, Kwak, Sang Kyu, Moon, Hoi Ri and Jang, Ji-Wook 2021. High performance H2O2 production achieved by sulfur-doped carbon on CdS photocatalyst via inhibiting reverse H2O2 decomposition. Applied Catalysis B: Environmental 284 , 119690. 10.1016/j.apcatb.2020.119690

Leteba, Gerard M., Wang, Yi-Chi, Slater, Thomas

, Cai, Rongsheng, Byrne, Conor, Race, Christopher P., Mitchell, David R. G., Levecque, Pieter B. J., Young, Neil P., Holmes, Stuart M., Walton, Alex, Kirkland, Angus I., Haigh, Sarah J. and Lang, Candace I. 2021. Oleylamine aging of PtNi nanoparticles giving enhanced functionality for the oxygen reduction reaction. Nano Letters 21 (9) , pp. 3989-3996. 10.1021/acs.nanolett.1c00706

Lewis, Eloise C. and Dzade, Nelson Y.

2021. First-principles density functional theory characterisation of the adsorption complexes of H3AsO3 on cobalt ferrite (Fe2CoO4) surfaces. Minerals 11 (2) , 195. 10.3390/min11020195

Lewis, Richard J., Ntainjua, Edwin N., Morgan, David J.

, Davies, Thomas E., Carley, Albert F., Freakley, Simon J. and Hutchings, Graham J.

2021. Improving the performance of Pd based catalysts for the direct synthesis of hydrogen peroxide via acid incorporation during catalyst synthesis. Catalysis Communications 161 , 106358. 10.1016/j.catcom.2021.106358

Li, Da, Zhang, Hao, Xiang, Hang, Rasul, Shahid, Fontmorin, Jean-Marie, Izadi, Paniz, Roldan Martinez, Alberto

, Taylor, Rebecca, Feng, Yujie, Banerji, Liam, Cowan, Alexander, Yu, Eileen Hao and Xuan, Jin 2021. How to go beyond C1 products with electrochemical reduction of CO2. Sustainable Energy & Fuels 5 (23) , 5893--5914. 10.1039/D1SE00861G

Li, Simin, Ceccato, Marcel, Lu, Xiuyuan, Frank, Sara, Lock, Nina, Roldan, Alberto, Hu, Xin-Ming, Skrydstrup, Troels and Daasbjerg, Kim 2021. Incorporation of nickel single atoms into carbon paper as self-standing electrocatalyst for CO2 reduction. Journal of Materials Chemistry A: materials for energy and sustainability 9 , pp. 1583-1592. 10.1039/D0TA08433F

Li, Simin, Zhao, Siqi, Lu, Xiuyuan, Ceccato, Marcel, Hu, Xin-Ming, Roldan, Alberto

, Catalano, Jacopo, Catalano, Jacopo, Liu, Min, Skrydstrup, Troels and Daasbjerg, Kim 2021. Low-valence Znδ+ (0<2) single-atom material as highly efficient electrocatalyst for CO2 reduction. Angewandte Chemie International Edition 60 , 22826–22832. 10.1002/anie.202107550

Li, Wei, Wang, Lingnan, Zhou, Fei, Li, Changyan, Ma, Weihua, Chen, Hao, Wang, Guirong, Pickett, John A.

, Zhou, Jing-Jiang and Lin, Yongjun 2021. Overexpression of the homoterpene synthase gene, OsCYP92C21, increases emissions of volatiles mediating tritrophic interactions in rice. Plant, Cell and Environment 44 (3) , pp. 948-963. 10.1111/pce.13924

Li, Yaqi, Guan, Shaoliang, Huo, Hua, Ma, Yulin, Gao, Yunzhi, Zuo, Pengjian and Yin, Geping 2021. A review of magnesium aluminum chloride complex electrolytes for Mg batteries. Advanced Functional Materials 31 (24) , 2100650. 10.1002/adfm.202100650

Liu, Biying, Xu, Shaojun, Zhang, Man, Li, Xin, Decarolis, Donato, Liu, Yuqian, Wang, Yuchen, Gibson, Emma K., Catlow, C. Richard A. and Yan, Kai 2021. Electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural and furfural over oxygen vacancy-rich NiCoMn-layered double hydroxides nanosheets. Green Chemistry 23 (11) , pp. 4034-4043. 10.1039/D1GC00901J

Lu, Xiuyuan, Zhang, Jing, Chen, Wenkai and Roldan, Alberto

2021. Kinetic and mechanistic analysis of NH3 decomposition on Ru(0001), Ru(111) and Ir(111) surfaces. Nanoscale Advances 3 (6) , pp. 1624-1632. 10.1039/D1NA00015B

Lu, Shun, Hummel, Matthew, Gu, Zhengrong, Wang, Yucheng, Wang, Keliang, Pathak, Rajesh, Zhou, Yue, Jia, Hongxing, Qi, Xueqiang, Zhao, Xianhui, Xu, Ben Bin and Liu, Xiaoteng 2021. Highly efficient urea oxidation via nesting nano-nickel oxide in eggshell membrane-derived carbon. ACS Sustainable Chemistry and Engineering 9 (4) , 1703–1713. 10.1021/acssuschemeng.0c07614

Lu, Xiuyuan and Roldan, Alberto 2021. Are carbon-based materials good supports for the catalytic reforming of ammonia? Journal of Physical Chemistry C 125 (29) , pp. 15950-15958. 10.1021/acs.jpcc.1c03996

Luangwanta, Tawanwit, Chachvalvutikul, Auttaphon and Kaowphong, Sulawan 2021. Facile synthesis and enhanced photocatalytic activity of a novel FeVO4/Bi4O5Br2 heterojunction photocatalyst through step-scheme charge transfer mechanism. Colloids and Surfaces A: Physicochemical and Engineering Aspects 627 , 127217. 10.1016/j.colsurfa.2021.127217

Ma, Yujie, Han, Xue, Xu, Shaojun, Wang, Zi, Li, Weiyao, da Silva, Ivan, Chansai, Sarayute, Lee, Daniel, Zou, Yichao, Nikiel, Marek, Manuel, Pascal, Sheveleva, Alena M., Tuna, Floriana, McInnes, Eric J. L., Cheng, Yongqiang, Rudi?, Svemir, Ramirez-Cuesta, Anibal J., Haigh, Sarah J., Hardacre, Christopher, Schröder, Martin and Yang, Sihai 2021. Atomically dispersed copper sites in a metal-organic framework for reduction of nitrogen dioxide. Journal of the American Chemical Society 143 (29) , pp. 10977-10985. 10.1021/jacs.1c03036

Mala, Barbora, Murtagh, Laura E., Farrow, Charlotte M. A., Akien, Geoffrey R., Halcovich, Nathan R., Allinson, Sarah L., Platts, James A.

and Coogan, Michael P. 2021. Photochemical oxidation of Pt(IV)Me3(1,2-diimine) thiolates to luminescent Pt(IV) sulfinates. Inorganic Chemistry 60 (10) , pp. 7031-7143. 10.1021/acs.inorgchem.0c03553

Mali, Sawanta S., Patil, Jyoti V., Steele, Julian A., Rondiya, Sachin R., Dzade, Nelson Y.

and Hong, Chang Kook 2021. Implementing dopant-free hole-transporting layers and metal-incorporated CsPbI2Br for stable all-inorganic perovskite solar cells. ACS Energy Letters 6 , pp. 778-788. 10.1021/acsenergylett.0c02385

Man, Stephen

, Redman, James E.

, Cross, Deborah L., Cole, David K.

, Can, Ilona, Davies, Bethan, Hashimdeen, Shaikh Shimaz, Reid, Reiss, Llewellyn-Lacey, Sian, Miners, Kelly L., Ladell, Kristin

, Lissina, Anya, Brown, Paul E., Wooldridge, Linda, Price, David A.

and Rizkallah, Pierre J.

2021. Synthetic peptides with inadvertent chemical modifications can activate potentially autoreactive T cells. The Journal of Immunology 207 (4) , pp. 1009-1017. 10.4049/jimmunol.2000756

Matam, Santhosh K., Catlow, C. Richard A.

, Silverwood, Ian P. and O'Malley, Alexander J. 2021. Methanol dynamics in H-ZSM-5 with Si/Al ratio of 25: a quasi-elastic neutron scattering (QENS) study. Topics in Catalysis 64 , pp. 699-706. 10.1007/s11244-021-01450-z

Mathuri, Ashis, Pramanik, Milan, Parida, Amarchand and Mal, Prasenjit 2021. Disulfide metathesis via sulfur...iodine interaction and photoswitchability. Organic and Biomolecular Chemistry 19 (39) , pp. 8539-8543. 10.1039/D1OB01581H

McLaren, Rachel L., da Costa, Rosenildo C., Laycock, Christian J., Morgan, David J.

, Warwick, Michael E. A. and Owen, Gareth R. 2021. Oleophobic composite films based on multi-layer graphitic scaffolding. New Journal of Chemistry 45 (41) , pp. 19210-19214. 10.1039/D1NJ02727A

McMillan, Paul F., Wilding, Martin C., Catlow, C. Richard A.

and Bras, Wim 2021. Preface to the JPCM special issue on intense radiation sources in condensed matter and materials physics. Journal of Physics: Condensed Matter 33 (39) , 390401. 10.1088/1361-648X/ac1301

Merino, Gabriel, Fernández-Herrera, María A., Soler-Illia, Galo J. A. A., Zarbin, Aldo J. G., Zuin, Vânia G., Chamorro, Eduardo, Gonzaga De Oliveira, Luciana, Mesko, Márcia Foster, Fraga, Cesar, Ibarra Alvarado, Ilich A., Dupont, Jairton, Nogueira, Ana Flávia, Graeff, Carlos F. O., Pastore, Heloise Oliveira, da Silva Júnior, Eufrânio N. and Azzaroni, Omar 2021. Introduction to celebrating Latin American talent in chemistry. RSC Advances 11 (63) , pp. 40216-40219. 10.1039/D1RA90175C

Mezoughi, Aysha B., Costanzo, Chiara M., Parker, Gregor M., Behiry, Enas M., Scott, Alan, Wood, Andrew C., Adams, Sarah E., Sessions, Richard B. and Loveridge, E. Joel 2021. The lysozyme inhibitor thionine acetate is also an inhibitor of the soluble lytic transglycosylase Slt35 from escherichia coli. Molecules 26 (14) , 4189. 10.3390/molecules26144189

Michereff, Mirian F. F., Grynberg, Priscila, Togawa, Roberto C., Costa, Marcos M. C., Laumann, Raúl A., Zhou, Jing-Jiang, Schimmelpfeng, Pedro H. C., Borges, Miguel, Pickett, John A.

, Birkett, Michael A. and Blassioli-Moraes, Maria Carolina 2021. Priming of indirect defence responses in maize is shown to be genotype-specific. Arthropod-Plant Interactions 15 (3) , pp. 318-328. 10.1007/s11829-021-09826-4

Mills, Emily M., Barlow, Victoria L., Jones, Arwyn T.

and Tsai, Yu-Hsuan

2021. Development of mammalian cell logic gates controlled by unnatural amino acids. Cell Reports Methods 1 (6) , 100073. 10.1016/j.crmeth.2021.100073

Milner, Amelia, Alshammari, Nadiyah and Platts, James A.

2021. Computational study of copper binding to DAHK peptide. Inorganica Chimica Acta 528 , 120589. 10.1016/j.ica.2021.120589

Mitchell, Claire E., Terranova, Umberto, Beale, Andrew M., Jones, Wilm, Morgan, David J.

, Meenakshisundaram, Sankar

and de Leeuw, Nora H.

2021. A surface oxidised Fe-S catalyst for the liquid phase hydrogenation of CO2. Catalysis Science & Technology 11 , pp. 779-784. 10.1039/D0CY01779E

Mitchell, Claire, Santos-Carballal, David, Beale, Andrew Michael, Jones, Wilm, Morgan, David John

, Meenakshisundaram, Sankar

and De Leeuw, Nora Henriette

2021. The role of surface oxidation and Fe-Ni synergy in Fe-Ni-S catalysts for CO2 hydrogenation. Faraday Discussions 230 , pp. 30-51. 10.1039/D0FD00137F

Montgomery, Clara, Vuts, Jozsef, Woodcock, Christine M., Withall, David M., Birkett, Michael A., Pickett, John

and Robert, Daniel 2021. Bumblebee electric charge stimulates floral volatile emissions in Petunia integrifolia but not in Antirrhinum majus. The Science of Nature 108 (44) 10.1007/s00114-021-01740-2

Morgan, David J.

2021. Core-level reference spectra for bulk graphitic carbon nitride (g-C3N4). Surface Science Spectra 28 (1) , 014007. 10.1116/6.0001083

Morgan, David J.

2021. Comments on the XPS analysis of carbon materials. C - An Open Access Journal of Carbon Research 7 (3) , 51. 10.3390/c7030051

Morvan, Jennifer, McBride, Tom, Curbet, Idriss, Colombel-Rouen, Sophie, Roisnel, Thierry, Crévisy, Christophe, Browne, Duncan L.

and Mauduit, Marc 2021. Continuous flow Z-stereoselective Olefin Metathesis: development and applications in the synthesis of pheromones and macrocyclic odorant molecules. Angewandte Chemie International Edition 60 (36) , pp. 19685-19690. 10.1002/anie.202106410

Najafishirtari, Sharif, Friedel Ortega, Klaus, Douthwaite, Mark, Pattisson, Samuel, Hutchings, Graham J.

, Bondue, Christoph J., Tschulik, Kristina, Waffel, Daniel, Peng, Baoxiang, Deitermann, Michel, Busser, G. Wilma, Muhler, Martin and Behrens, Malte 2021. A perspective on heterogeneous catalysts for the selective oxidation of alcohols. Chemistry - A European Journal 27 (68) , pp. 16809-16833. 10.1002/chem.202102868

Nasane, Mamta P., Rondiya, Sachin R., Jadhav, Chandradip D., Rahane, Ganesh, Cross, Russell William, Jathar, Sagar, Jadhav, Yogesh, Barma, Sunil, Nilegave, Dhanraj, Jadkar, Vijaya, Rokade, Avinash, Funde, Adinath M, Chavan, Padmakar G., Hoye, Robert L Z, Dzade, Nelson Yaw

and Jadkar, Sandesh R 2021. An interlinked computational-experimental investigation into SnS nano-flakes for field emission application. New Journal of Chemistry 45 , pp. 11768-11779. 10.1039/D1NJ00902H

Nasrallah, Ali, Engel, Julien

, Catlow, C. Richard A.

and Willock, David J.

2021. Density functional theory study of the partial oxidation of methane to methanol on Au and Pd surfaces. Journal of Physical Chemistry C 125 (34) , 18770–18785. 10.1021/acs.jpcc.1c06206

Nastase, Stefan A. F., Logsdail, Andrew J.

and Catlow, C. Richard A. 2021. QM/MM study of the reactivity of zeolite bound methoxy and carbene groups. Physical Chemistry Chemical Physics 23 (32) , pp. 17634-17644. 10.1039/D1CP02535J

Nastase, Stefan Adrian F., Catlow, C. Richard A. and Logsdail, Andrew J

2021. QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y. Physical Chemistry Chemical Physics 23 (3) , pp. 2088-2096. 10.1039/D0CP05392A

Negahdar, Leila, Omori, Naomi E., Quesne, Matthew G., Frogley, Mark D., Cacho-Nerin, Fernando, Jones, Wilm, Price, Stephen W. T., Catlow, C. Richard A.

and Beale, Andrew M. 2021. Elucidating the significance of copper and nitrate speciation in Cu-SSZ-13 for N2O formation during NH3-SCR. ACS Catalysis 11 (21) , 13091–13101. 10.1021/acscatal.1c03174

Nicholson, William I., Howard, Joseph L., Magri, Giuseppina, Seastram, Alex C., Khan, Adam, Bolt, Robert R. A., Morrill, Louis C.

, Richards, Emma

and Browne, Duncan L.

2021. Ball-milling-enabled reactivity of manganese metal. Angewandte Chemie International Edition 60 (43) , pp. 23128-23133. 10.1002/anie.202108752

Nicholson, William I., Barreteau, Fabien, Leitch, Jamie A., Payne, Riley, Priestley, Ian, Godineau, Edouard, Battilocchio, Claudio and Browne, Duncan L.

2021. Direct amidation of esters by ball milling**. Angewandte Chemie International Edition 60 (40) , pp. 21868-21874. 10.1002/anie.202106412

Nodling, Alexander Roland, Santi, Nicolò

, Castillo, Raquel, Lipka-Lloyd, Magdalena, Jin, Yi

, Morrill, Louis Christian

, Swiderek, Katarzyna, Moliner, Vicent and Luk, Louis Y. P.

2021. The role of protein environment in catalysis by biotinylated secondary amines. Organic and Biomolecular Chemistry 19 , pp. 10424-10431. 10.1039/D1OB01947C

Nowicka, Ewa, Meenakshisundaram, Sankar

, Jenkins, Robert, Knight, David W., Willock, David J.

, Hutchings, Graham

, Francisco, Manuel and Taylor, Stuart H.

2021. Controlled reduction of aromaticity of alkylated polyaromatic compounds by selective oxidation using H2WO4, H3PO4 and H2O2: A route for upgrading heavy oil fractions. New Journal of Chemistry 45 (31) , pp. 13885-13892. 10.1039/D1NJ01986D

Nyepetsi, M., Mbaiwa, F., Oyetunji, O.A., Dzade, N.Y.

and De Leeuw, N.H.

2021. The carbonate-catalysed transesterification of sunflower oil for biodiesel production: in situ monitoring and density functional theory calculations. South African Journal of Chemistry 74 (se1) , pp. 42-49.

Omojola, Toyin, Logsdail, Andrew J.

, van Veen, André C. and Nastase, Stefan Adrian F. 2021. A quantitative multiscale perspective on primary olefin formation from methanol. Physical Chemistry Chemical Physics 23 (38) , pp. 21437-21469. 10.1039/D1CP02551A

Ortmayer, Mary, Hardy, Florence J., Quesne, Matthew G., Fisher, Karl, Levy, Colin, Heyes, Derren J., Catlow, C. Richard A., de Visser, Sam P., Rigby, Stephen E. J., Hay, Sam and Green, Anthony P. 2021. A noncanonical tryptophan analogue reveals an active site hydrogen bond controlling ferryl reactivity in a heme peroxidase. JACS Au 1 (7) 10.1021/jacsau.1c00145

Otaif, Haleema Y., Adams, Samuel J., Horton, Peter N., Coles, Simon J., Beames, Joseph M.

and Pope, Simon J. A.

2021. Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies. RSC Advances 11 (63) , 39718–39727. 10.1039/D1RA07213G

Palacios, Maria-Luisa, Golunski, Stan

, Hutchings, Graham J

and Taylor, Stuart H.

2021. Characterisation and activity of mixed metal oxide catalysts for the gas-phase selective oxidation of toluene. Catalysis Today 363 , pp. 73-84. 10.1016/j.cattod.2019.06.001

Panchal, Monik, Callison, June, Skukauskas, Vainius, Gianolio, Diego, Cibin, Giannantonio, York, Andrew P. E., Schuster, Manfred E., Hyde, Timothy I., Collier, Paul, Catlow, C. Richard A. and Gibson, Emma K. 2021. Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity. Journal of Physics: Condensed Matter 33 (28) , 284001. 10.1088/1361-648X/abfe16

Pandharkar, Subhash, Punde, Ashvini, Nasane, Mamta, Doiphode, Vidya, Shinde, Pratibha, Vairale, Priti, Hase, Yogesh, Bhorde, Ajinkya, Waghmare, Ashish, Rondiya, Sachin, Prasad, Mohit and Jadkar, Sandesh 2021. Soft annealing effect on the properties of sputter grown Cu2ZnSnS4 (CZTS) thin films for solar cell applications. Materials Today: Proceedings 34 (3) , pp. 690-696. 10.1016/j.matpr.2020.03.652

Pandit, Bidhan, Rondiya, Sachin R., Shegokar, Shyamal, Bommineedi, Lakshmana K., Cross, Russell William, Dzade, Nelson Yaw

and Sankapal, Babasaheb R. 2021. Reciprocated electrochemical and DFT investigations of iron selenide: mechanically bendable solid-state symmetric supercapacitor. Sustainable Energy & Fuels 5 (19) , pp. 5001-5012. 10.1039/D1SE00074H

Pandit, Bidhan, Rondiya, Sachin R., Dzade, Nelson Y.

, Shaikh, Shoyebmohamad F., Kumar, Nitish, Goda, Emad S., Al-Kahtani, Abdullah A., Mane, Rajaram S., Mathur, Sanjay and Salunkhe, Rahul R. 2021. High stability and long cycle life of rechargeable sodium-ion battery using manganese oxide cathode: a combined density functional theory (DFT) and experimental study. ACS Applied Materials and Interfaces 13 (9) , pp. 11433-11441. 10.1021/acsami.0c21081

Parker, Qamreen, Bell, Robert G. and de Leeuw, Nora H.

2021. Structural and dynamical properties of ionic liquids: a molecular dynamics study employing DL_POLY 4. Molecular Simulation 47 (2-3) , pp. 152-160. 10.1080/08927022.2019.1651931

Partridge, Suzanne J., Withall, David M., Caulfield, John C., Pickett, John A.

, Stockman, Robert A., Oldham, Neil J. and Birkett, Michael A. 2021. Iridoid sex pheromone biosynthesis in aphids mimics iridoid‐producing plants. Chemistry - A European Journal 27 (25) , pp. 7231-7234. 10.1002/chem.202001356

Patil, Girish P., Rondiya, Sachin R., Bagal, Vivekanand S., Shivhare, Sugam, Cross, Russell W., Dzade, Nelson Y.

, Jadkar, Sandesh R. and Chavan, Padmakar. G. 2021. Field emission characteristics of double walled TiO2 nanotubes. ES Materials & Manufacturing 13 , pp. 76-81. 10.30919/esmm5f1143

Patil, Madhuri S., Kitchamsetti, Narasimharao, Mulani, Sameena R., Rondiya, Sachin R., Deshpande, Nishad G., Patil, Ranjit A., Cross, Russell W., Dzade, Nelson Y.

, Sharma, Kirankumar K., Patil, Pramod S., Ma, Yuan-Ron, Cho, Hyung Koun and Devan, Rupesh S. 2021. Photocatalytic behavior of Ba(Sb/Ta)2O6 perovskite for reduction of organic pollutants: Experimental and DFT correlation. Journal of the Taiwan Institute of Chemical Engineers 122 , pp. 201-209. 10.1016/j.jtice.2021.04.032

Patil, Pramila, Mann, Dilpreet Singh, Rondiya, Sachin R., Dzade, Nelson Y.

, Kwon, Sung-Nam and Na, Seok-In 2021. Enhanced performance of perovskite solar cells via reactive post-treatment process utilizing guanidine acetate as interface modifier. Solar RRL 5 (11) , 2100547. 10.1002/solr.202100547

Patra, Tuhin, Das, Mowpriya, Daniliuc, Constantin G. and Glorius, Frank 2021. Metal-free photosensitized oxyimination of unactivated alkenes with bifunctional oxime carbonates. Nature Catalysis 4 (1) , pp. 54-61. 10.1038/s41929-020-00553-2

Pei, Guang X., Dzade, Nelson Y.

, Zhang, Yue, Hofmann, Jan P., De Leeuw, Nora H.

and Weckhuysen, Bert M. 2021. Identification of photoexcited electron relaxation in a cobalt phosphide modified carbon nitride photocatalyst. Chemphotochem 5 (4) , pp. 330-334. 10.1002/cptc.202000259

Peng, Gongming, Humblot, Anaelle, Wischert, Raphael, De Oliveira Vigier, Karine, Jiang, Fan, Pera-Titus, Marc and Jérôme, François 2021. Selective acid-catalyzed hydroarylation of nonactivated alkenes with aniline assisted by hexafluoroisopropanol. Journal of Organic Chemistry 86 (24) , pp. 17896-17905. 10.1021/acs.joc.1c02197

Pezzetta, Cristofer, Folli, Andrea

, Matuszewska, Oliwia, Murphy, Damien

, Davidson, Robert W. M. and Bonifazi, Davide

2021. peri‐xanthenoxanthene (PXX): a versatile organic photocatalyst in organic synthesis. Advanced Synthesis and Catalysis 363 (20) , pp. 4740-4753. 10.1002/adsc.202100030

Phaahla, Tshegofatso M., Sokol, Alexey A., Catlow, Charles R. A.

, Woodley, Scott M., Ngoepe, Phuti E. and Chauke, Hasani R. 2021. The thermal agitated phase transitions on the Ti32 nanocluster: a molecular dynamics simulation study. South African Journal of Chemistry 74 , 17–22. 10.17159/0379-4350/2021/v74a4

Philippe Bargiela, Pascal, Fernandez, Vincent, Cardinaud, Christophe, Walton, John, Greiner, Mark, Morgan, David

, Fairley, Neal and Baltrusaitis, Jonas 2021. Towards a reliable assessment of charging effects during surface analysis: accurate spectral shapes of ZrO2 and Pd/ZrO2 via X-ray Photoelectron Spectroscopy. Applied Surface Science 566 , 150728. 10.1016/j.apsusc.2021.150728

Pimpao, Catarina, Wragg, Darren, Bonsignore, Riccardo, Aikman, Brech, Pedersen, Per Amstrup, Leoni, Stefano

, Soveral, Graça and Casini, Angela

2021. Mechanisms of irreversible aquaporin-10 inhibition by organogold compounds studied by combined biophysical methods and atomistic simulations. Metallomics 13 (9) , mfab053. 10.1093/mtomcs/mfab053

Pope, Simon J.

, Elgar, Christopher E., Otaif, Haleema Y., Zhang, Xue, Zhao, Jianzhang, Beames, Joseph M.

, Horton, Peter N. and Coles, Simon J. 2021. Iridium(III) sensitizers and energy upconversion: the influence of ligand structure upon TTA-UC performance. Chemistry - A European Journal 27 (10) , pp. 3427-3439. 10.1002/chem.202004146

Pospiech, Mateusz, Owens, Siân E., Miller, David J., Austin-Muttitt, Karl, Mullins, Jonathan G. L., Cronin, James G., Allemann, Rudolf K.

and Sheldon, I. Martin 2021. Bisphosphonate inhibitors of squalene synthase protect cells against cholesterol-dependent cytolysins. FASEB Journal 35 (6) , e21640. 10.1096/fj.202100164R

Pradhan, Tapas R., Paudel, Mukti, Harper, Jordan L., Cheong, Paul Ha-Yeon and Park, Jin Kyoon 2021. Characterization and utilization of the elusive α,β-unsaturated N-tosyliminium: the synthesis of highly functionalizable skipped halo enynes. Organic Letters 23 (4) , 1427–1433. 10.1021/acs.orglett.1c00103

Pramanik, Milan, Mathuri, Ashis and Mal, Prasenjit 2021. Sulfur...oxygen interaction-controlled (Z)-selective anti-Markovnikov vinyl sulfides. Chemical Communications 57 (46) , pp. 5698-5701. 10.1039/D1CC01257F

Pramanik, Milan, Mathuri, Ashis, Sau, Sudip, Das, Monojit and Mal, Prasenjit 2021. Chlorinative cyclization of Aryl Alkynoates using NCS and 9-Mesityl-10-methylacridinium Perchlorate Photocatalyst. Organic Letters 23 (20) , 8088–8092. 10.1021/acs.orglett.1c03100

Qu, Yingmin, Li, Ganggang, Zhao, Ting, Zhang, Zhongshen, Douthwaite, Mark, Zhang, Jing and Hao, Zhengping 2021. Low-temperature direct dehydrogenation of propane over binary oxide catalysts: insights into geometric effects and active sites. ACS Sustainable Chemistry and Engineering 9 (38) , 12755–12765. 10.1021/acssuschemeng.1c03074

Quesne, Matthew, Catlow, C. Richard A. and De Leeuw, Nora Henriette

2021. How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study. Faraday Discussions 230 , pp. 87-99. 10.1039/D1FD00004G

Reed-Berendt, Benjamin G., Latham, Daniel E., Dambatta, Mubarak B. and Morrill, Louis C.

2021. Borrowing hydrogen for organic synthesis. ACS Central Science 7 (4) , pp. 570-585. 10.1021/acscentsci.1c00125

Rhys, Guto G., Dawson, William M., Beesley, Joseph L., Martin, Freddie J. O., Brady, R. Leo, Thomson, Andrew R. and Woolfson, Derek N. 2021. How coiled-coil assemblies accommodate multiple aromatic residues. Biomacromolecules 22 (5) 10.1021/acs.biomac.1c00131

Richards, Thomas, Harrhy, Jonathan, Lewis, Richard, Howe, Alexander, Suldecki, Grzegorz, Folli, Andrea

, Davies, Thomas, Loveridge, Joel, Crole, David, Edwards, Jennifer

, Kiely, Christopher John

, He, Qian

, Murphy, Damien

, Maillard, Jean-Yves

, Freakley, Simon, Hutchings, Graham

and Morgan, David

2021. A residue-free approach to water disinfection using catalytic in situ generation of reactive oxygen species. Nature Catalysis 4 , pp. 575-585. 10.1038/s41929-021-00642-w

Riegert, Alexander S., Narindoshvili, Tamari, Coricello, Adriana, Richards, Nigel G. J.

and Raushel, Frank M. 2021. Functional characterization of two PLP-dependent enzymes involved in capsular polysaccharide biosynthesis from campylobacter jejuni. Biochemistry 60 (37) , 2836–2843. 10.1021/acs.biochem.1c00439

Riley, William, Jones, Andrew C., Singh, Kuldip, Browne, Duncan L.

and Stuart, Alison M. 2021. Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis. Chemical Communications 57 (60) , pp. 7406-7409. 10.1039/D1CC02587B

Rodrigues, Maria Paula de Souza, Dourado, Andre H. B., Cutolo, Leonardo de O., Parreira, Luanna S., Alves, Tiago Vinicius, Slater, Thomas J. A.

, Haigh, Sarah J., Camargo, Pedro H. and Cordoba de Torresi, Susana Ines 2021. Gold–rhodium nanoflowers for the plasmon-enhanced hydrogen evolution reaction under visible light. ACS Catalysis 11 (21) , pp. 13543-13555. 10.1021/acscatal.1c02938

Rondiya, Sachin R., Buldu, Dilara Gokcen, Brammertz, Guy, Jadhav, Yogesh, Cross, Russell William, Ghosh, Hirendra N., Davies, Thomas, Jadkar, Sandesh R., Dzade, Nelson Yaw

and Vermang, Bart 2021. Revealing the electronic structure, heterojunction band offset and alignment of Cu2ZnGeSe4: a combined experimental and computational study towards photovoltaic applications. Physical Chemistry Chemical Physics 23 (15) , pp. 9553-9560. 10.1039/D0CP06143C

Ruiz Esquius, Jonathan, Bahruji, Hasliza, Bowker, Michael

and Hutchings, Graham

2021. Identification of C2-C5 products from CO2 hydrogenation over PdZn/TiO2-ZSM-5 hybrid catalysts. Faraday Discussions 230 , pp. 52-67. 10.1039/D0FD00135J

Sainna, Mala, Nanavati, Sachin

, Black, Constance, Smith, Louise, Mugford, Karl, Jenkins, Harry, Douthwaite, Mark, Dummer, Nicholas

and Willock, David

2021. A combined periodic DFT and QM/MM approach to understand the radical mechanism of the catalytic production of methanol from glycerol. Faraday Discussions 229 , pp. 108-130. 10.1039/D0FD00005A

Saleh, Basil A., Smith, Keith, Elliott, Mark C.

and El-Hiti, Gamal A. 2021. Reactions between lithiated 1,3-dithiane oxides and trialkylboranes. Journal of Sulfur Chemistry 42 (6) , pp. 591-603. 10.1080/17415993.2021.1971670

Sanchis, Rut, García, Adrián, Ivars-Barceló, Francisco, Taylor, Stuart H.

, García, Tomás, Dejoz, Ana, Vázquez, María Isabel and Solsona, Benjamín 2021. Highly active Co3O4-based catalysts for total oxidation of light C1-C3 alkanes prepared by a simple soft chemistry method: effect of the heat-treatment temperature and mixture of alkanes. Materials 14 (23) , 7120. 10.3390/ma14237120

Santi, Nicolò

, Morrill, Louis Christian

, Swiderek, Katarzyna, Moliner, Vicent and Luk, Louis Y. P.

2021. Transfer hydrogenations catalyzed by streptavidin-hosted secondary amine organocatalyst. Chemical Communications 57 (15) , pp. 1919-1922. 10.1039/D0CC08142F

Santos, Alba, Lewis, Richard J., Morgan, David J.

, Davies, Thomas E., Hampton, Euan, Gaskin, Paul and Hutchings, Graham J.

2021. The degradation of phenol via in situ H2O2 production over supported Pd-based catalysts. Catalysis Science & Technology 11 (24) , pp. 7866-7874. 10.1039/D1CY01897C

Santos-Carballal, David

, Roldan, Alberto and De Leeuw, Nora Henriette

2021. CO2 reduction to acetic acid on the greigite Fe3S4{111} surface. Faraday Discussions 229 , pp. 35-49. 10.1039/C9FD00141G

Sarma, Plaban Jyoti, Dowerah, Dikshita, Gour, Nand Kishor, Logsdail, Andrew J.

, Catlow, C. Richard A.

and Deka, Ramesh 2021. Tuning the transition barrier of H2 dissociation in the hydrogenation of CO2 to formic acid on Ti-doped Sn2O4 cluster. Physical Chemistry Chemical Physics 23 (1) , pp. 204-210. 10.1039/D0CP04472E

Sbei, Najoua, Aslam, Samina and Ahmed, Nisar

2021. Organic synthesis via Kolbe and related non-Kolbe electrolysis: an enabling electro-strategy. Reaction Chemistry and Engineering 6 (8) , pp. 1342-1366. 10.1039/D1RE00047K

Sbei, Najoua, Hardwick, Tomas and Ahmed, Nisar

2021. Green chemistry: electrochemical organic transformations via paired electrolysis. ACS Sustainable Chemistry and Engineering 9 (18) , 6148–6169. 10.1021/acssuschemeng.1c00665

Schepelmann, Martin, Kupper, Nadja, Sladczyk, Marta, Mansfield, Bethan, Manhardt, Teresa, Piatek, Karina, Iamartino, Luca, Riccardi, Daniela

, Kariuki, Benson M.

, Bassetto, Marcella and Kallay, Enikö 2021. Stereo-specific modulation of the extracellular calcium-sensing receptor in colon cancer cells. International Journal of Molecular Sciences 22 (18) , 10124. 10.3390/ijms221810124

Schick, Lukas, González-Alfaro, Vicenta, García, Adrián, López, J.M., Morgan, David J.

, Agouram, Said, Taylor, Stuart H.

, García, Tomás and Solsona, Benjamin 2021. Supported iridium catalysts for the total oxidation of short chain alkanes and their mixtures: influence of the support. Chemical Engineering Journal 417 , 127999. 10.1016/j.cej.2020.127999

Schwenzer, Hagen, De Zan, Erica, Elshani, Mustafa, van Stiphout, Ruud, Kudsy, Mary, Morris, Josephine, Ferrari, Valentina

, Um, In Hwa, Chettle, James, Kazmi, Farasat, Campo, Leticia, Easton, Alistair, Nijman, Sebastian, Serpi, Michaela

, Symeonides, Stefan, Plummer, Ruth, Harrison, David J., Bond, Gareth and Blagden, Sarah P. 2021. The novel nucleoside analogue ProTide NUC-7738 overcomes cancer resistance mechanisms in vitro and in a first-in-human Phase 1 clinical trial. Clinical Cancer Research 27 (23) , pp. 6500-6513. 10.1158/1078-0432.CCR-21-1652

Scott, Alan F., Deery, Evelyne, Lawrence, Andrew D. and Warren, Martin J. 2021. Plasmodium falciparum hydroxymethylbilane synthase does not house any cosynthase activity within the haem biosynthetic pathway. Microbiology 167 (10) , 001095. 10.1099/mic.0.001095

Seitz, Jakob and Wirth, Thomas

2021. Electrochemical bromofunctionalization of alkenes in a flow reactor. Organic and Biomolecular Chemistry 19 (31) , pp. 6892-6896. 10.1039/D1OB01302E

Serpi, Michaela

and Pertusati, Fabrizio

2021. An overview of ProTide technology and its implications to drug discovery. Expert Opinion on Drug Discovery 16 (10) , 1149--1161. 10.1080/17460441.2021.1922385

Sha, Jin, Kusema, Bright T., Zhou, Wen-Juan, Yan, Zhen, Streiff, Stephane and Pera-Titus, Marc 2021. Single-reactor tandem oxidation–amination process for the synthesis of furan diamines from 5-hydroxymethylfurfural. Green Chemistry 23 (18) , pp. 7093-7099. 10.1039/D1GC01621K

Sharma, Gitanjali, Newman, Paul D.

and Platts, James A.

2021. A review of quantum chemical studies of frustrated Lewis pairs. Journal of Molecular Graphics and Modelling 105 , 107846. 10.1016/j.jmgm.2021.107846

Sharma, Pankaj

, Han, Jinhyup, Park, Jaehyun, Kim, Dong Yeon, Lee, Jinho, Oh, Dongrak, Kim, Namsu, Seo, Dong-Hwa, Kim, Youngsik, Kang, Seok Ju, Hwang, Soo Min and Jang, Ji-Wook 2021. Alkali-metal-mediated reversible chemical hydrogen storage using seawater. JACS Au 1 (12) , pp. 2339-2348. 10.1021/jacsau.1c00444

Shaw, Alexander, Zhang, Xiaolei, Kabalan, Lara and Li, Jun 2021. Mechanistic and kinetic investigation on maximizing the formation of levoglucosan from cellulose during biomass pyrolysis. Fuel 286 (P2) , 119444. 10.1016/j.fuel.2020.119444

Singh, Fateh V. and Wirth, Thomas

2021. Hypervalent iodine chemistry and light: photochemical reactions involving hypervalent iodine Chemistry. ARKIVOC 2021 (7) , pp. 12-47. 10.24820/ark.5550190.p011.483

Slusarczyk, Magdalena

, Serpi, Michaela

, Ghazaly, Essam, Kariuki, Benson M.

, McGuigan, Christopher

and Pepper, Chris 2021. Single diastereomers of the clinical anticancer ProTide agents NUC-1031 and NUC-3373 preferentially target cancer stem cells in vitro. Journal of Medicinal Chemistry 64 (12) , pp. 8179-8193. 10.1021/acs.jmedchem.0c02194

Smallman, Harry R., Leitch, Jamie A., McBride, Tom, Ley, Steven V. and Browne, Duncan L. 2021. Formation and utility of reactive ketene intermediates under continuous flow conditions. Tetrahedron 93 , 132305. 10.1016/j.tet.2021.132305

Smith, Daniel A.

, Simpson, Kate, Lo Cicero, Matteo, Newbury, Lucy J., Nicholas, Philip, Fraser, Donald J.

, Caiger, Nigel, Redman, James E.

and Bowen, Timothy

2021. Detection of urinary microRNA biomarkers using diazo sulfonamide-modified screen printed carbon electrodes. RSC Advances 11 (31) , pp. 18832-18839. 10.1039/D0RA09874D

Smith, Louise R., Sainna, Mala A., Douthwaite, Mark, Davies, Thomas E., Dummer, Nicholas F.

, Willock, David J.

, Knight, David W., Catlow, C. Richard A.

, Taylor, Stuart H.

and Hutchings, Graham J.

2021. Gas phase clycerol valorization over ceria nanostructures with well-defined morphologies. ACS Catalysis 11 , pp. 4893-4907. 10.1021/acscatal.0c05606

Smith, Keith, Al-Khalaf, Alaa K. H., Berkil Akar, Kıymet, Al-Badri, Doaa J. K., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. Effects of structured solids on regioselectivity of dibromination of naphthalene. Catalysts 11 (5) , 540. 10.3390/catal11050540

Smith, Keith and El-Hiti, Gamal A.

2021. Development of efficient and selective processes for the synthesis of commercially important chlorinated phenols. Organics 2 (3) , pp. 142-160. 10.3390/org2030012

Smith, Keith, Saleh, Basil A., Alshammari, Mohammed B., El-Hiti, Gamal A. and Elliott, Mark

2021. Studies on a catalytic version of the Matteson asymmetric homologation reaction. Organic and Biomolecular Chemistry (19) , pp. 4279-4284. 10.1039/d1ob00604e

Sneyd, Alexander J., Fukui, Tomoya, Palecek, David, Prodhan, Suryoday, Wagner, Isabella, Zhang, Yifan, Sung, Jooyoung, Collins, Sean M., Slater, Thomas J. A.

, Andaji-Gamaroudi, Zahra, MacFarlane, Liam R., Garcia-Hernandez, J. Diego, Wang, Linjun, Whittell, George R., Hodgkiss, Justin M., Chen, Kai, Beljonne, David, Manners, Ian, Friend, Richard and Rao, Akshay 2021. Efficient energy transport in an organic semiconductor mediated by transient exciton delocalization. Science Advances 7 (32) 10.1126/sciadv.abh4232

Spencer, Jacob N., Folli, Andrea

, Ren, Hong and Murphy, Damien M.

2021. An EPR Investigation of defect structure and electron transfer mechanism in mixed-conductive LiBO2-V2O5 glasses. Journal of Materials Chemistry A: materials for energy and sustainability 9 (31) , pp. 16917-16927. 10.1039/D1TA02352G

Srivastava, Prabhakar L.

, Escorcia, Andrés M., Huynh, Florence, Miller, David J., Allemann, Rudolf K.

and van der Kamp, Marc W. 2021. Redesigning the molecular choreography to prevent hydroxylation in Germacradien-11-ol synthase catalysis. ACS Catalysis 11 (3) , 1033–1041. 10.1021/acscatal.0c04647

Stanton, Stephen A., Du, Jonathan J., Lai, Felcia, Stanton, Gyte, Hawkins, Bryson A., Ong, Jennifer A., Groundwater, Paul W., Platts, James A.

and Hibbs, David E. 2021. Understanding hygroscopicity of theophylline via a novel cocrystal polymorph: a charge density study. The Journal of Physical Chemistry A 125 (45) , 9736–9756. 10.1021/acs.jpca.0c09536

Stefkova, Katarina, Heard, Matthew J., Dasgupta, Ayan and Melen, Rebecca L.

2021. Borane catalysed cyclopropenation of arylacetylenes. Chemical Communications 57 (55) , pp. 6736-6739. 10.1039/D1CC01856F

Subrizi, Fabiana, Wang, Yu, Thair, Benjamin, Méndez-Sánchez, Daniel, Roddan, Rebbeca, Cárdenas-Fernández, Max, Siegrist, Jutta, Richter, Micheal, Andexer, Jennifer, Ward, John and Hailes, Helen 2021. Multienzyme one-pot cascades incorporating methyltransferases for the strategic diversification of tetrahydroisoquinoline alkaloids. Angewandte Chemie International Edition 60 (34) , pp. 18673-18679. 10.1002/anie.202104476

Sun, Hongman, Wang, Yehong, Xu, Shaojun, Osman, Ahmed I., Stenning, Gavin, Han, Jianyu, Sun, Shuzhuang, Rooney, David, Williams, Paul T., Wang, Feng and Wu, Chunfei 2021. Understanding the interaction between active sites and sorbents during the integrated carbon capture and utilization process. Fuel 286 , 119308. 10.1016/j.fuel.2020.119308

Sun, Songmei, Barnes, Alexandra J., Gong, Xiaoxiao, Lewis, Richard J., Dummer, Nicholas F.

, Bere, Takudzwa, Shaw, Greg, Richards, Nia, Morgan, David J.

and Hutchings, Graham J.

2021. Lanthanum modified Fe-ZSM-5 zeolites for selective methane oxidation with H2O2. Catalysis Science & Technology 11 (24) , pp. 8052-8064. 10.1039/D1CY01643A

Tang, Tsz Man Simon Louis and Luk, Louis Y. P.

2021. Asparaginyl endopeptidases: enzymology, applications and limitations. Organic and Biomolecular Chemistry 19 (23) , pp. 5048-5062. 10.1039/D1OB00608H

Tariq, Anisa, Ruiz Esquius, Jonathan, Davies, Thomas E., Bowker, Michael

, Taylor, Stuart H.

and Hutchings, Graham J.

2021. Combination of Cu/ZnO methanol synthesis catalysts and ZSM-5 zeolites to produce oxygenates from CO2 and H2. Topics in Catalysis 64 , pp. 965-973. 10.1007/s11244-021-01447-8

Thawarkar, Sachin, Rondiya, Sachin R., Rana, Prem Jyoti Singh, Narayan, Ramanuj, Dzade, Nelson Y.

and Singh, Surya Prakash 2021. Structural and optical properties of ionic liquid based hybrid perovskitoid: a combined experimental and theoretical investigation. Functional Materials Letters 14 (4) , 2150008. 10.1142/S1793604721500089

Thawarkar, Sachin, Rondiya, Sachin, Dzade, Nelson

, Khupse, Nageshwar and Jadkar, Sandesh R. 2021. Experimental and theoretical investigation on dtructural and Opto-electronic properties of Fe-doped lead-free Cs2AgBiCl6 double perovskite. Chemistry - A European Journal 27 (26) , pp. 7408-7417. 10.1002/chem.202004902

Thomas, Sophie R. and Casini, Angela

2021. N-Heterocyclic carbenes as “smart” gold nanoparticle stabilizers: state-of-the art and perspectives for biomedical applications. Journal of Organometallic Chemistry 938 , 121743. 10.1016/j.jorganchem.2021.121743

Tierney, George F., Alijani, Shahram, Panchal, Monik, Decarolis, Donato, Gutierrez, Martha Briceno, Mohammed, Khaled M. H., Callison, June, Gibson, Emma K., Thompson, Paul B. J., Collier, Paul, Dimitratos, Nikolaos, Corbos, E. Crina, Pelletier, Frederic, Villa, Alberto and Wells, Peter P. 2021. Controlling the production of acid catalyzed products of furfural hydrogenation by Pd/TiO2. ChemCatChem 13 (24) , pp. 5121-5133. 10.1002/cctc.202101036

Trenholme, William J. F., Kolokolov, Daniil I., Bound, Michelle, Argent, Stephen P., Gould, Jamie A., Li, Jiangnan, Barnett, Sarah A., Blake, Alexander J., Stepanov, Alexander G., Besley, Elena, Easun, Timothy L.

, Yang, Sihai and Schröder, Martin 2021. Selective gas uptake and rotational dynamics in a (3,24)-connected metal-organic framework material. Journal of the American Chemical Society 143 (9) , pp. 3348-3358. 10.1021/jacs.0c11202

Tsuru, Shota, Vidal, Marta L., Pápai, Mátyás, Krylov, Anna I., Møller, Klaus B. and Coriani, Sonia 2021. An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy. Structural Dynamics 8 (2) , 024101. 10.1063/4.0000070

Underhill, Ricci, Douthwaite, Mark, Lewis, Richard J., Miedziak, Peter J., Armstrong, Robert D., Morgan, David J.

, Freakley, Simon J., Davies, Thomas, Folli, Andrea

, Murphy, Damien M.

, He, Qian

, Akdim, Ouardia, Edwards, Jennifer K.

and Hutchings, Graham J.

2021. Ambient base-free glycerol oxidation over bimetallic PdFe/SiO2 by in situ generated active oxygen species. Research on Chemical Intermediates 47 , pp. 303-324. 10.1007/s11164-020-04333-2

Ungerer, Marietjie J.

, Santos Carballal, David

, De Leeuw, Nora H.

and van Sittert, Cornelia 2021. Competitive adsorption of H2O and SO2 on catalytic platinum surfaces: a density functional theory study. South African Journal of Chemistry 74 (1) , pp. 57-68. 10.17159/0379-4350/2020/v74a00

Ungerer, Marietjie J.

, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H.

2021. Behavior of S, SO, and SO3 on Pt (001), (011), and (111) surfaces: a DFT study. The Journal of Chemical Physics 154 (19) , 194701. 10.1063/5.0043501

Viéitez Calo, Sara, Morgan, David J.

, Golunski, Stan

, Taylor, Stuart H.

and Twigg, Martyn V. 2021. Structure sensitivity and hydration effects in Pt/TiO2 and Pt/TiO2-SiO2 catalysts for NO and propane oxidation. Topics in Catalysis 64 , pp. 955-964. 10.1007/s11244-021-01415-2

Villa, Alberto, Barlocco, Ilaria, Capelli, Sofia, Lu, Xiuyuan, Bellomi, Silvio, Huang, Xiaohui, Wang, Di, Prati, Laura, Dimitratos, Nikolaos and Roldan, Alberto

2021. Disclosing the role of gold on palladium - gold alloyed supported catalysts in formic acid decomposition. ChemCatChem 13 (9) , pp. 4210-4222. 10.1002/cctc.202100886

Wallace, William T., Hayward, James S., Ho, Chen-Yu, Marsh, Amy R., Tariq, Anisa and Bartley, Jonathan K.

2021. Triethylamine-water as a switchable solvent for the synthesis of Cu/ZnO catalysts for carbon dioxide hydrogenation to methanol. Topics in Catalysis 64 , pp. 984-991. 10.1007/s11244-021-01457-6

Wang, Tao, Sha, Jin, Sabbe, Maarten, Sautet, Philippe, Pera-Titus, Marc and Michel, Carine 2021. Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls. Nature Communications 12 (1) , 5100. 10.1038/s41467-021-25214-1

Wang, Yu, Knowles, P. J.

and Wang, Jian 2021. Information entropy as a measure of the correlation energy associated with the cumulant. Physical Review A 103 (6) , 062808. 10.1103/PhysRevA.103.062808

Wang, Yu, Wang, Feng, Sheng, Xiaowei, Yu, Yafei, Knowles, P. J.

and Wang, Jian 2021. Collins conjecture and information entropy in dissociating diatomic molecules. Physical Review A 103 (4) , 042816. 10.1103/PhysRevA.103.042816

Wang, Yucheng, Lei, Hanhui, Xiang, Hang, Fu, Yongqing, Xu, Chenxi, Jiang, Yinzhu, Xu, Ben Bin, Yu, Eileen Hao, Gao, Chao and Liu, Terence Xiaoteng 2021. Porous bilayer electrode-guided gas diffusion for enhanced CO2 electrochemical reduction. Advanced Energy & Sustainability Research 2 (11) , 2100083. 10.1002/aesr.202100083

Wang, Zhe, Feng, Jiangjiang, Li, Xiaoliang, Oh, Rena, Shi, Dongdong, Akdim, Ouardia, Xia, Ming, Zhao, Liang, Huang, Xiaoyang and Zhang, Guojie 2021. Au-Pd nanoparticles immobilized on TiO2 nanosheet as an active and durable catalyst for solvent-free selective oxidation of benzyl alcohol. Journal of Colloid and Interface Science 588 , pp. 787-794. 10.1016/j.jcis.2020.11.112

Wilbers, Derik, Brehm, Joseph, Lewis, Richard, Van Marwijk, Jacqueline, Davies, Thomas, Morgan, David John

, Opperman, Diederik J., Smit, Martha Sophia, Alcalde, Miguel, Kotsiopoulos, Athanasios, Harrison, Susan T. L., Hutchings, Graham

and Freakley, Simon 2021. Controlling product selectivity with nanoparticle composition in tandem chemo-biocatalytic styrene oxidation. Green Chemistry 23 (11) , pp. 4170-4180. 10.1039/D0GC04320F

Williams, Thomas L., Iskandar, Debra J., Nödling, Alexander R., Tan, Yurong, Luk, Louis Y. P.

and Tsai, Yu-Hsuan

2021. Transferability of N-terminal mutations of pyrrolysyl-tRNA synthetase in one species to that in another species on unnatural amino acid incorporation efficiency. Amino Acids 53 , pp. 89-96. 10.1007/s00726-020-02927-z

Winterson, Bethan, Rennigholtz, Tim and Wirth, Thomas

2021. Flow electrochemistry: a safe tool for fluorine chemistry. Chemical Science 12 (26) , pp. 9053-9059. 10.1039/D1SC02123K

Wirth, Thomas

2021. Iodine(III) mediators in electrochemical batch and flow reactions. Current Opinion in Electrochemistry 28 , 100701. 10.1016/j.coelec.2021.100701

Wirth, Thomas

and Zhang, Huaiyuan 2021. Recent advances in asymmetric functionalization of olefins induced by chiral hypervalent iodine reagents. Chinese Journal of Organic Chemistry 41 (1) , pp. 65-70. 10.6023/cjoc202006013

Woof, Callum R., Durand, Derek J., Fey, Natalie, Richards, Emma

and Webster, Ruth L. 2021. Iron catalyzed double bond isomerization: evidence for an Fe I /Fe III catalytic cycle. Chemistry - A European Journal 27 (19) , pp. 5972-5977. 10.1002/chem.202004980

Wright, Anna I., Kariuki, Benson M.

and Wu, Yi-Lin

2021. Triplet-forming thionated donor-acceptor chromophores for electrochemically amphoteric photosensitization. European Journal of Organic Chemistry 2021 (33) , pp. 4647-4652. 10.1002/ejoc.202100793

Wu, Qiqi, Ye, Jiani, Qiao, Wei, Li, Yongwang, Niemantsverdriet, J.W. (Hans), Richards, Emma

, Pan, Feng and Su, Ren 2021. Inhibit the formation of toxic methylphenolic by-products in photo-decomposition of formaldehyde-toluene/xylene mixtures by Pd cocatalyst on TiO2. Applied Catalysis B: Environmental 291 , 120118. 10.1016/j.apcatb.2021.120118

Xu, Shaojun, Han, Xue, Ma, Yujie, Duong, Thien D., Lin, Longfei, Gibson, Emma K., Sheveleva, Alena, Chansai, Sarayute, Walton, Alex, Ngo, Duc-The, Frogley, Mark D., Tang, Chiu C., Tuna, Floriana, McInnes, Eric J.L., Catlow, C. Richard A., Hardacre, Christopher, Yang, Sihai and Schröder, Martin 2021. Catalytic decomposition of NO2 over a copper-decorated metal-organic framework by non-thermal plasma. Cell Reports Physical Science 2 (2) , 100349. 10.1016/j.xcrp.2021.100349

Yamamoto Raynbird, Marina, Khokhar, Shaista, Neef, Daniel, Evans, Gareth and Wirth, Thomas

2021. Synthesis of ajoene analogues by novel synthetic strategies. Chemistry - A European Journal 27 (9) , pp. 3008-3012. 10.1002/chem.202005023

Yang, Nating, Pattisson, Samuel, Douthwaite, Mark, Zeng, Gaofeng, Zhang, Hao, Ma, Jingyuan and Hutchings, Graham J.

2021. Influence of stabilizers on the performance of Au/TiO2 catalysts for CO oxidation. ACS Catalysis 11 (18) , pp. 11607-11615. 10.1021/acscatal.1c02820

Yang, Pengfei, Douthwaite, Mark, Pan, Jiahao, Zheng, Lirong, Hong, Song, Morgan, David John

, Gao, Mingyu, Li, Dianqing, Feng, Junting and Hutchings, Graham

2021. Coordinately unsaturated O2c–Ti5c–O2c sites promote the reactivity of Pt/TiO2 catalysts in the solvent-free oxidation of octanol. Catalysis Science & Technology 11 (14) , pp. 4898-4910. 10.1039/D1CY00686J

Yaseen, Anaheed A., Al-Tikrity, Emaad T. B., Yousif, Emad, Ahmed, Dina S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. Effect of ultraviolet irradiation on polystyrene containing cephalexin Schiff bases. Polymers 13 (17) , 2982. 10.3390/polym13172982

Yaseen, Anaheed A., Yousif, Emad, Al-Tikrity, Emaad T. B., El-Hiti, Gamal A., Kariuki, Benson M.

, Ahmed, Dina S. and Bufaroosha, Muna 2021. FTIR, weight, and surface morphology of poly(vinyl chloride) doped with tin complexes containing aromatic and heterocyclic moieties. Polymers 13 (19) , 3264. 10.3390/polym13193264

Ye, Tongqi, Ai, Yue, Chen, Bao, Ye, Yuewen, Sun, Jia, Qin, Ling and Yao, Xin 2021. Enhancement of aldehyde-water shift reaction over CuZnAl catalyst by Mn promoter. Catalysis Communications 149 , 106262. 10.1016/j.catcom.2020.106262

Ye, Yuewen, Chen, Bao, Li, Xin, Ai, Yue, Sun, Jia, Ni, Gang, Qin, Ling and Ye, Tongqi 2021. Oxidation of bio‐aldehyde and bio‐alcohol to carboxylic acid by water over modified CuZnAl catalysts. ChemistrySelect 6 (9) , pp. 1976-1983. 10.1002/slct.202100216

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A.

2021. A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using density functional theory. Royal Society Open Science 8 (11) , 210952. 10.1098/rsos.210952

Zhang, Zhenfei, Liu, Yong, Portaluri, Vincent, Woodcock, Christine, Pickett, John A.

, Wang, Senshan and Zhou, Jing-Jiang 2021. Chemical identity and functional characterization of semiochemicals that promote the interactions between rice plant and rice major pest Nilaparvata lugens. Journal of Agricultural and Food Chemistry 69 (16) , 4635–4644. 10.1021/acs.jafc.1c01135

Zhang, Man, Wang, Yaqiong, Liu, Jianguo, Thangamuthu, Madasamy, Yue, Yajun, Yan, Zhongna, Feng, Jingyu, Zhang, Dou, Zhang, Hongtao, Guan, Shaoliang, Titirici, Maria-Magdalena, Abrahams, Isaac, Tang, Junwang, Zhang, Zhen, Dunn, Steve and Yan, Haixue 2021. Facile one-step synthesis and enhanced photocatalytic activity of a WC/ferroelectric nanocomposite. Journal of Materials Chemistry A: materials for energy and sustainability 9 (40) , pp. 22861-22870. 10.1039/D1TA04131B

Zhang, Qing, Liu, Weiyan, Zhou, Yi, Li, Junyan, Sun, Tu, Liu, Qingyuan, Ma, Yanhang, Wang, Jinghui, Li, Jun, Zhao, Ruoshi, Sui, Yu, Matsumoto, Takashi, Muroyama, Norihiro, Yamano, Akihito, Harris, Kenneth D. M.

, Shen, Zhijian James and Terasaki, Osamu 2021. Andersson‐Magnéli phases TinO2n‐1: recent progress inspired by Swedish scientists. Zeitschrift für anorganische und allgemeine Chemie 647 (2-3) , pp. 126-133. 10.1002/zaac.202000408

Zhang, Rui, Chutia, Arunabhiram, Sokol, Alexey A., Chadwick, David and Catlow, C. Richard A.

2021. A computational investigation of the adsorption of small copper clusters on the CeO2(110) surface. Physical Chemistry Chemical Physics 35 (23) , pp. 19329-19342. 10.1039/D1CP02973H

Zhou, Jiawang, Stojanovic, Ljiljana, Berezin, Andrey A., Battisti, Tommaso, Gill, Abigail, Kariuki, Benson

, Bonifazi, Davide

, Crespo-Otero, Rachel, Wasielewski, Michael R. and Wu, Yi-Lin

2021. Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores. Chemical Science 12 (2) , pp. 767-773. 10.1039/D0SC04646A

Zhou, Laicheng, He, Ran, Qin, Yang, Wu, Yi-Lin

, Jiang, Li, Zhou, Dong-Dong and Zhang, Ling 2021. Multiple C-H⋯anion and N-H⋯anion hydrogen bond directed two-dimensional crystalline nanosheets with precise distance control of surface charges for enhanced DNA capture. Soft Matter 17 (40) , pp. 9125-9130. 10.1039/D1SM01152A

Živković, Aleksandar

, Sheehama, Jacobina, Warwick, Michael E. A., Jones, Daniel R., Mitchel, Claire, Likius, Daniel, Uahengo, Veikko, Dzade, Nelson Y.

, Meenakshisundaram, Sankar

, Dunnill, Charles W. and de Leeuw, Nora H.

2021. Structural and electronic properties of Cu4O3 (paramelaconite): the role of native impurities. Pure and Applied Chemistry 93 (10) , pp. 1229-1244. 10.1515/pac-2021-0114

Book Section

Gazis, Theodore A., Carden, Jamie L., Alharbi, Mashael M. and Melen, Rebecca L.

2021. Triarylboranes in the activation of azo-containing compounds. Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, (10.1002/9781119951438.eibc2780)

Heard, Matthew J., Stefkova, Katarina, van Ingen, Yara and Melen, Rebecca L.

2021. Frustrated Lewis pairs in organic synthesis. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, (10.1016/B978-0-12-820206-7.00041-X)

Martins, Guilherme M., Sbei, Najoua, Zimmer, Geórgia C. and Ahmed, Nisar

2021. C-H activation/functionalization via metalla-electrocatalysis. Khotseng, Lindiwe, ed. Electrocatalysis, Intech Open, (10.5772/intechopen.95517)

Paganini, Maria Cristina and Cerrato, Erik 2021. Photoactive systems based on semiconducting metal oxides. Lopez, Elisa Garcia and Palmisano, Leonardo, eds. Materials Science in Photocatalysis, Elsevier, pp. 221-234.

Stefkova, Katarina, Carden, Jamie L. and Melen, Rebecca L.

2021. Frustrated Lewis pairs in catalysis. Chemistry, Molecular Sciences and Chemical Engineering, Elsevier Reference Collection, Elsevier, (10.1016/B978-0-12-823144-9.00011-X)

Conference or Workshop Item

Williams, Megan, Edwards, Sion, Fallis, Ian

, Wilson, Melanie

, Bradshaw, David, Pratten, J and Williams, David W. 2021. Preliminary study into the effects of tobacco smoke on Candida albicans. Presented at: Candida and Candidiasis 2021, Virtual, 21-27 March 2021. Access Microbiology. Access Microbiology. , vol.3 (12) (3 (12)) 10.1099/acmi.cc2021.po0124

Thesis

Aikman, Brech 2021. Metal-based molecules for biomedical applications: investigation of their biological activities in cancer cells. PhD Thesis, Cardiff University.
Item availability restricted.

Al Fayez, Sahar 2021. The catalytic applications of titanium complexes in epoxide/anhydride ring opening copolymerization and umpolung cross-coupling reactions. PhD Thesis, Cardiff University.
Item availability restricted.

Alharbi, Haifa 2021. Design and synthesis of novel chiral iodine (III) reagents for enantioselective synthesis. PhD Thesis, Cardiff University.

Item availability restricted.

Alsaeedi, Huda 2021. Exploring naphthalimide derivatives as sensitisers for genosensors. PhD Thesis, Cardiff University.
Item availability restricted.

Amri, Nasser 2021. Electroorganic synthesis enabled by an automated flow platform. PhD Thesis, Cardiff University.

Item availability restricted.

Bailey, Liam 2021. Chemical vapour impregnation as a synthesis technique for propane total oxidation catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Battisti, Tommaso 2021. From light-induced processes in solution toward solid/liquid and liquid/liquid interfaces: the use of peri-xanthenoxanthene derivatives as photoactive compounds. PhD Thesis, Cardiff University.
Item availability restricted.

Baumann, Patrick 2021. Mechanistic and structural study of GAP-catalysed hydrolase activity in small G proteins. PhD Thesis, Cardiff University.
Item availability restricted.

Beevers, Cameron 2021. Advanced molecular modelling techniques to determine structures and reaction mechanisms of catalytic processes at the atomic level. PhD Thesis, Cardiff University.
Item availability restricted.

Caiti, Massimiliano 2021. Intensification of biomass upgrading processes catalysed by heterogeneous catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Carden, Jamie 2021. Enabling technologies to access new materials using frustrated Lewis pairs. PhD Thesis, Cardiff University.
Item availability restricted.

Conway, Matthew 2021. Selective hydrogenation reactions in the synthesis of fragrances. PhD Thesis, Cardiff University.
Item availability restricted.

Cooper, Anna 2021. Lowering the fuel requirement during active regeneration of soot. PhD Thesis, Cardiff University.
Item availability restricted.

Davies, Heulwen 2021. Investigation and utilisation of the promiscuity of the sesquiterpene synthase amorpha-4,11-diene synthase. PhD Thesis, Cardiff University.
Item availability restricted.

Davies, Josh 2021. Controlling the Au/Iron oxide interface to optimise plasmonic resonance for magneto-optic diagnostics. PhD Thesis, Cardiff University.
Item availability restricted.

Edwards, Lee

2021. Innovative coatings for electrical steel. PhD Thesis, Cardiff University.
Item availability restricted.

Elgar, Christopher 2021. Red emitting iridium(III) and rhenium(I) complexes developed for photonic applications. PhD Thesis, Cardiff University.
Item availability restricted.

Farkas, Barbara 2021. Computational nano-materials and catalysis: Modelling of structural and magnetic properties of bare and ligand-protected cobalt nanoparticles. PhD Thesis, Cardiff University.

Item availability restricted.

Faulkner, Christopher 2021. Investigating the molecular basis for anesthesia. PhD Thesis, Cardiff University.

Item availability restricted.

Gazis, Theodore 2021. Triarylboranes in azo and carbene chemistry. PhD Thesis, Cardiff University.

Item availability restricted.

Guppy, Owaen 2021. The study of polymeric and solid-state luminescent materials. PhD Thesis, Cardiff University.
Item availability restricted.

King, Ashley 2021. Expansion of the Guerbet Reaction towards group 7 metal catalysts and triglyceride substrates. PhD Thesis, Cardiff University.
Item availability restricted.

MacGinley, Joseph 2021. The aerobic, partial oxidation of THPMI for the production of cashmeran. PhD Thesis, Cardiff University.
Item availability restricted.

Matuszewska, Oliwia 2021. Synthesis of sulfur and selenium doped anthanthrene and PXX catalysed photoredox aryl coupling reactions. PhD Thesis, Cardiff University.
Item availability restricted.

McBride, Tom 2021. Exploring reactor design to harness reactive intermediates. PhD Thesis, Cardiff University.
Item availability restricted.

Mehta, Nimai 2021. Synthesis, physicochemical and atomistic analysis of templated polymerisation in metal-organic frameworks (MOFs). PhD Thesis, Cardiff University.
Item availability restricted.

Merrikin, Danielle Amber 2021. Element specific smart media for fast, low cost, radionuclide analyses. PhD Thesis, Cardiff University.
Item availability restricted.

Mills, Emily 2021. Developing generic and modular approaches to targeted cancer cell therapeutics. PhD Thesis, Cardiff University.
Item availability restricted.

Minkiewicz, Justyna 2021. Solvothermal stability studies of porous inorganic and metal-organic materials. PhD Thesis, Cardiff University.

Item availability restricted.

Mishra, Deepak 2021. Electrochemical strategies for the generation and utilization of alkoxy radicals and alkene functionalization. PhD Thesis, Cardiff University.
Item availability restricted.

Navar, Ricardo 2021. Continuous sugar upgrading using Lewis acid catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Nicholson, William 2021. Shaken not stirred: unleashing the potential of mechanochemical synthesis. PhD Thesis, Cardiff University.
Item availability restricted.

Rogers, Owen 2021. The synthesis of adipic acid from cyclohexene utilising green procedures. PhD Thesis, Cardiff University.

Item availability restricted.

Sama, Folasade Josephine 2021. New homogenous and heterogenised catalysts for bioethanol upgrading to advanced biofuels. PhD Thesis, Cardiff University.
Item availability restricted.

Shoetan, Ibrahim 2021. Applications of N-heterocyclic carbenes. PhD Thesis, Cardiff University.
Item availability restricted.

Spencer, Jacob 2021. An Electron Paramagnetic Resonance (EPR) study of battery and functional materials. PhD Thesis, Cardiff University.

Item availability restricted.

Tang, Tsz Man 2021. Improving the use of asparaginyl endopeptidase for biocatalytic applications. PhD Thesis, Cardiff University.
Item availability restricted.

Thomas, Sophie 2021. Catalysis in cells for therapeutic applications. PhD Thesis, Cardiff University.
Item availability restricted.

Ubler, Martin 2021. Towards light induced apoptosis - investigating the application of a red-shifted photoswitch to induce cell death. PhD Thesis, Cardiff University.
Item availability restricted.

Watson, Nathan 2021. An analysis of the sources and sinks for Criegee intermediates: An extended computational study. PhD Thesis, Cardiff University.

Item availability restricted.

Williams, Thomas L. 2021. The use of covalent modification and genetic code expansion to create organocatalytic artificial enzymes. PhD Thesis, Cardiff University.
Item availability restricted.

Yang, Shufan 2021. Tailoring properties of polythiophene-based electrochromic displays. MPhil Thesis, Cardiff University.
Item availability restricted.

Zhang, Fei 2021. Syntheses of polyethers and biodegradable polyesters utilizing aluminium-based catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

This list was generated on Tue Apr 23 17:35:03 2024 BST.