Items where Division is "Current Faculties > Faculty of Engineering and Physical Sciences > Chemistry and Chemical Engineering
Chemistry and Chemical Engineering" and Year is 2024

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Number of items: 121.

Article

Direct observation of a roaming intermediate and its dynamics - Grite L. Abma, Michael A. Parkes, Weronika Olimpia Razmus, Yu Zhang, Adam S. Wyatt, Emma Springate, Richard T. Chapman, Daniel A. Horke and Russell Minns

Type: Article | 2024

Rhodium-decorated palladium nanocubes supported on Ni(OH)₂ nanosheets/C for enhanced ethanol oxidation - Caio Vinícius da Silva Almeida, Connor Sherwin, Andrea E. Russell, Katlin I.B. Eguiluz and Giancarlo R. Salazar-Banda

Type: Article | 2024 | Item availability restricted.

Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO₂ - Nabeel Anwar, Robert M. Harker, Mark T. Storr, Marco Molinari and Chris-Kriton Skylaris

Type: Article | 2024

Synthesis and characterization of UV organic light-emitting electrochemical cells (OLECs) using phenanthrene fluorene derivatives for flexible applications - Sasikumar Arumugam, Yi Li, James E. Pearce, Katie L. Court, Edward H. Jackman, Oliver J. Ward, John Tudor, David C. Harrowven and Steve P. Beeby

Type: Article | 2024

High throughput physical vapor deposition growth of Pb(Zr_xTi_1-x)O₃perovskite thin films growth on silicon substrates - Ioanna Bakaimi, Brian E. Hayden, Colin J. Mitchell and Goran Z. Mashanovich

Type: Article | 2024

Identification and development of cyclic peptide inhibitors of Hypoxia Inducible Factors 1 and 2 that disrupt hypoxia-response signaling in cancer cells - Andrew T. Ball, Soran Mohammed, Cyrielle Doigneaux, Reece M. Gardner, James W. Easton, Steven Turner, Jonathan W. Essex, Garry Pairaudeau and Ali Tavassoli

Type: Article | 2024 | Item availability restricted.

Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents - Michael Blakey, Samantha Pearman-Kanza and Jeremy G. Frey

Type: Article | 2024

A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus - Rachel Bolton, Moritz M. Machelett and Jack Stubbs

Type: Article | 2024

Machine learned potentials by active learning from organic crystal structure prediction landscapes - Patrick Walter Villers Butler, Roohollah Hafizi and Graeme M. Day

Type: Article | 2024

Dispersity determination of poly(ethylene glycol)s using supercritical fluid chromatography-mass spectrometry and different mass analysers - Sergio Cancho-Gonzalez, Paul Ferguson, Julie M. Herniman and G. John Langley

Type: Article | 2024

Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes - Robert C. Carroll and Simon J. Coles

Type: Article | 2024

Fluidized bed chemical vapor deposition on hard carbon powders to produce composite energy materials - Marianna Casavola, Lindsay-Marie Armstrong and Zening Zhu

Type: Article | 2024

Titratable residues that drive RND efflux: insights from molecular simulations - Robert Clark, Kahlan E. Newman and Syma Khalid

Type: Article | 2024

Holistic vibrational spectromics assessment of human cartilage for osteoarthritis diagnosis - Hiroki Cook, Anna Crisford, Konstantinos Bourdakos, Doug Dunlop, Richard O.C. Oreffo and Sumeet Mahajan

Type: Article | 2024

Facial selectivity in mechanical bond formation: axially chiral enantiomers and geometric isomers from a simple prochiral macrocycle - Peter R. Gallagher, Andrea Savoini, Abed Saady, John R.J. Maynard, Patrick W.V. Butler, Graham J. Tizzard and Stephen M. Goldup

Type: Article | 2024

1H enhanced 103Rh NMR spectroscopy and relaxometry of Rh(acac)3 in solution - Harry Harbor Collins, Mohamed Sabba, Markus Leutzsch and Malcolm H. Levitt

Type: Article | 2024

NMR spectroscopy of a ¹⁸O-labeled rhodium paddlewheel complex: isotope shifts, ¹⁰³Rh-¹⁰³Rh spin-spin coupling, and ¹⁰³Rh singlet NMR - Harry Harbor-Collins, Mohamed Sabba, Christian Bengs, Gamal Moustafa, Markus Leutzsch and Malcolm H. Levitt

Type: Article | 2024

Synthesis and stability studies of bicyclo[6.1.0]nonyne scaffolds for automated solid-phase oligonucleotide synthesis - Kristina Karalė, Martin Bollmark, Antanas Karalius, Mónica Lopes, Oswaldo Pérez, Roger Strömberg and Ulf Tedebark

Type: Article | 2024

Structural diversity of Sn(II) phosphine oxide complexes with weakly coordinating anions and comparisons with related Ge(II) and Pb(II) species - Rhys P. King, Kelsey R. Cairns, Charlotte Denman, William Levason, Mark E. Light and Gillian Reid

Type: Article | 2024

Multiframe-based non-local means denoising for Raman spectra - Zhen Liu, Mohamed A. Ettabib, Bethany M. Bowden, Philip N. Bartlett, James S. Wilkinson and Michael N. Zervas

Type: Article | 2024

Observation and enhancement through alkali metal doping of p-type conductivity in the layered oxyselenides Sr₂ZnO₂Cu₂Se₂ and Ba₂Zn_1-xO_2-xCu₂Se₂ - Zahida Malik, Sarah Broadley, Sebastian J.C. Herkelrath, Daniel W. Newbrook, Liam Kemp, George Rutt, Zoltán A. Gál, Jack N. Blandy, Joke Hadermann, Daniel W. Davies, Robert D. Smyth, David O. Scanlon, Ruomeng Huang, Simon J. Clarke and Geoffrey Hyett

Type: Article | 2024

Film before aggregates: an operando GISAXS study on electrochemically assisted surfactant assembly - Gilles E. Moehl, Samuel D. Fitch, Katarina Cicvaric, Yisong Han, Ruomeng Huang, Jonathan Rawle, Li Shao, Richard Beanland, Philip N. Bartlett, Guy Denuault and Andrew L. Hector

Type: Article | 2024

Structural selectivity of supported Pd nanoparticles: selective ethanol ammoxidation to acetonitrile - Khaled Mohammed, Reza Vakili, Donato Decarolis, Shaojun Xu, Luke Keenan, Apostolos Kordatos, Nikolay Zhelev, Chris K. Skylaris, Marina Carravetta, Emma K. Gibson, Haresh Manyar, Alexandre Goguet and Peter P. Wells

Type: Article | 2024

Exploring 2-sulfonylpyrimidine warheads as acrylamide surrogates for targeted covalent inhibition: a BTK story - Ruxandra Moraru, Beatriz Valle-Argos, Annabel Minton, Lara Buermann, Suyin Pan, Thomas E. Wales, Raji E. Joseph, Amy H. Andreotti, Jonathan C. Strefford, Graham Packham and Matthias G.J. Baud

Type: Article | 2024

Zinc oxide nanostructure deposition into sub-5 nm vertical mesopores in silica hard templates by atomic layer deposition - Tauqir Nasir, Yisong Han, Chris Blackman, Richard Beanland and Andrew L. Hector

Type: Article | 2024

Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF₃(L1)] by ¹⁸F/¹⁹F isotopic exchange - Charley O'Callaghan, Victoria K. Greenacre, Rhys P. King, Julian Grigg, Julie M. Herniman, Graeme McRobbie and Gillian Reid

Type: Article | 2024

Structural dynamics around a hydrogen bond: investigating the effect of hydrogen bond strengths on the excited state dynamics of carboxylic acid dimers - Edward Plackett, C. Robertson, A. De Matos Loja, H. McGhee, G. Karras, I.V. Sazanovich, R.A. Ingle, M.J. Paterson and Russell Minns

Type: Article | 2024

Conformational analysis of 1,3-difluorinated alkanes - William G. Poole, Florent Peron, Stephen J. Fox, Neil Wells, Chris Kriton Skylaris, Jonathan W. Essex, Ilya Kuprov and Bruno Linclau

Type: Article | 2024

Controlling diastereoselectivity in dearomatizing Diels-Alder reactions of nitroarenes with 2-trimethylsilyloxycyclohexadiene - Marian Powderly, Mélanie Roseau, Gilles Frison, Rayhane Hammami, Laetitia Chausset-Boissarie, David Harrowven, Julien Legros and Isabelle Chataigner

Type: Article | 2024

Protein NMR assignment by isotope pattern recognition - Uluk Rasulov, Harrison K. Wang, Thibault Viennet, Maxim A. Droemer, Srđan Matosin, Sebastian Schindler, Zhen-Yu J. Sun, Luca Mureddu, Geerten W. Vuister, Scott A. Robson, Haribabu Arthanari and Ilya Kuprov

Type: Article | 2024

Exploring the ultrafast and isomer-dependent photodissociation of iodothiophenes via site-selective ionization - Weronika Razmus, Felix Allum and James Harries

Type: Article | 2024

A platform approach to cleavable macrocycles for the controlled disassembly of mechanically caged molecules - Abed Saady, Georgia K. Malcolm, Matthew P. Fitzpatrick, Noel GM Pairault, Graham J. Tizzard, Soran Mohammed, Ali Tavassoli and Stephen M. Goldup

Type: Article | 2024

The final stereogenic unit of [2]rotaxanes: type 2 geometric isomers - Andrea Savoini, Peter R. Gallagher, Abed Saady and Stephen M. Goldup

Type: Article | 2024

Oxidation control to augment interfacial charge transport in Te- P3HT hybrid materials for high thermoelectric performance - Syed Zulfiqar Hussain Shah, Zhenyu Ding, Zainul Aabdin, Weng Weei Tjiu, Jose Recatala Gomez, Haiwen Dai, Xiaoping Yang, Repaka Durga Venkata Maheswar, Gang Wu, Kedar Hippalgaonkar, Iris S. Nandhakumar and Pawan Kumar

Type: Article | 2024

Electrodeposition of bismuth, tellurium and bismuth telluride through sub-10 nm mesoporous silica thin films - Li Shao, Nikolay Zhelev, Wenjian Zhang, Gillian Reid, Ruomeng Huang, Philip N. Bartlett and Andrew L. Hector

Type: Article | 2024

Molecular crowding alters the interactions of polymyxin lipopeptides within the periplasm of E. coli: insights from molecular dynamics - Iain P.S. Smith, Conrado Pedebos and Syma Khalid

Type: Article | 2024

Correlative geochemical imaging of Desmophyllum dianthus reveals biomineralisation strategy as a key coral vital effect - Christopher D. Standish, Jacob Trend, Jacob Kleboe, Thomas B. Chalk, Sumeet Mahajan, J. Andy Milton, Tessa Page, Laura F. Robinson, Joseph A. Stewart and Gavin L. Foster

Type: Article | 2024

Double-clad antiresonant hollow-core fiber and its comparison with other fibers for multiphoton micro-endoscopy - Marzanna Szwaj, Ian A. Davidson, Peter B. Johnson, Greg Jasion, Yongmin Jung, Seyed Reza Sandoghchi, Krzysztof P. Herdzik, Konstantinos N. Bourdakos, Natalie V. Wheeler, Hans Christian Mulvad, David J. Richardson, Francesco Poletti and Sumeet Mahajan

Type: Article | 2024

Predictive crystallography at scale: mapping, validating, and learning from 1,000 crystal energy landscapes - Christopher R. Taylor, Patrick W.V. Butler and Graeme M. Day

Type: Article | 2024

Time-resolved Auger-Meitner spectroscopy of the photodissociation dynamics of CS2 - Henry James Thompson, Oksana Plekan, Matteo Bonanomi, Nitish Pal, Felix Allum, Alexander Darius Brynes, Marcello Coreno, Sonia Coriani, Miltcho Danailov, Piero Decleva, Alexander Demidovich, Michele Devetta, Davide Faccialà, Raimund Feifel, Ruaridh Forbes, Cesare Grazioli, David M.P. Holland, Paolo Piseri, Kevin Prince, Daniel Rolles, Michael Schuurman, Alberto Simoncig, Richard J. Squibb, Bruno N.C. Tenorio, Caterina Vozzi, Marco Zangrando, Carlo Callegari, Russell Minns and Michele Di Fraia

Type: Article | 2024

Time-resolved probing of the iodobenzene C-band using XUV-induced electron transfer dynamics - James Unwin, Weronika O. Razmus, Felix Allum, Russell S. Minns and Joanne L. Woodhouse

Type: Article | 2024

Squeezing formaldehyde into C60 fullerene - Vijyesh K. Vyas, George R. Bacanu, Murari Soundararajan, Elizabeth S. Marsden, Tanzeeha Jafari, Anna Shugai, Mark E. Light, Urmas Nagel, Toomas Rõõm, Malcolm H. Levitt and Richard J. Whitby

Type: Article | 2024

Rationalising catalytic performance using a unique correlation matrix - Maciej G. Walerowski, Stylianos Kyrimis, Victoria A. Hewitt, Lindsay-Marie Armstrong and Robert Raja

Type: Article | 2024

Designing bifunctional catalysts for the one-pot conversion of CO2 to sustainable marine transportation fuels - Maciej Grzegorz Walerowski, Matthew E. Potter, Elizabeth S. Burke, Stylianos Kyrimis, Lindsay-Marie Armstrong and Robert Raja

Type: Article | 2024

Structure and fragmentation of doubly ionized HNCS - Måns Wallner, Emelie Olsson, Veronica Ideböhn, Marco Parriani, Richard J. Squibb, Sven Lundberg, Daniel Cole, Stefano Falcinelli, Stefano Stranges, Bruno Brunetti, John M. Dyke, Gunnar Nyman, John H.D. Eland, Majdi Hochlaf and Raimund Feifel

Type: Article | 2024

Automating the production of [Fe¹⁸FF₂(BnMe₂-tacn)] and investigating radiostabilisers for use with high-activity [¹⁸F]F⁻ - Madeleine S. Woodward, Danielle E. Runacres, Julian Grigg, Imtiaz Khan, William Levason, Graeme McRobbie and Gillian Reid

Type: Article | 2024

Enhancing glucose oxidation: exploring 3D Pt nanowire frameworks for electrochemical studies - Tamseel Zaman, Samina Akbar, Joshua S. White and Iris Nandhakumar

Type: Article | 2024

Core-shell structured LiFePO₄/C nanocomposite battery material for lithium production from brines - Min Zhang and Nuria Garcia-Araez

Type: Article | 2024

Tunable neuromorphic switching dynamics via porosity control in mesoporous silica diffusive memristors - Tongjun Zhang, Li Shao, Ayoub hassan jaafar HJ Hamdiyah, Ioannis Zeimpekis, Kees De Groot, Philip N. Bartlett, Andrew L. Hector and Ruomeng Huang

Type: Article | 2024

Conference or Workshop Item

Nano-trap catalysts for reducing methane emissions in shipping vessels - Ashia McManus, Robert Raja and Dominic Hudson

Type: Conference or Workshop Item | 2024

Designing bifunctional catalysts for the one-pot conversion of CO2 to sustainable marine transportation fuels - M.G. Walerowski, M.E. Potter, E Burke, S. Kyrimis, Lindsay-Marie Armstrong and Robert Raja

Type: Conference or Workshop Item | 2024

Oral presentation - converting CO2 to sustainable marine fuels using cascade nanoreactors - Maciej Walerowski, Lindsay-Marie Armstrong and Robert Raja

Type: Conference or Workshop Item | 2024

Development of cascade nanoreactions for the direct conversion of CO2 to sustainable marine transportation fuels - Maciej G. Walerowski, Matthew E. Potter, Elizabeth S. Burke, Stylianos Kyrimis, Lindsay-Marie Armstrong and Robert Raja

Type: Conference or Workshop Item | 2024

Elucidating synthesis-structure-property correlations for design of improved bifunctional catalysts - Maciej Grzegorz Walerowski, Stylianos Kyrimis, Victoria Hewitt, Lindsay-Marie Armstrong and Robert Raja

Type: Conference or Workshop Item | 2024

Thesis

Peptidomimetics of β-secondary structure - Rose Bannister

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Wiswesser line notation in modern cheminformatics; Implementations for parsing, conversion and compression of chemical entities - Michael Blakey

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Synthesis of supramolecular host architectures for rare-earth guests: New platforms for quantum technology - Krzysztof Bolhuis

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Surface chemistry for point-of-care Raman spectroscopy - Bethany May Bowden

Type: Thesis | 2024 | University of Southampton

Characterising the energy landscapes of molecular organic crystals - Patrick Walter Villers Butler

Type: Thesis | 2024 | University of Southampton

Coordination chemistry and properties of the trivalent group 13 and divalent group 14 metal triflates with a range of neutral donor ligands - Kelsey Cairns

Type: Thesis | 2024 | University of Southampton

Developing the Application of the Crystalline Sponge Method - Robert Christopher Carroll

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

The theory and methodology of nuclear spins diffusing through porous media - Topaz Alaska Alice Cartlidge

Type: Thesis | 2024 | University of Southampton

Relative binding free energies for drug discovery: applications to p38 MAP kinase - Anna Cavalleri

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Deep learning applications and interpretation in signal processing and magnetic resonance - Tajwar Choudhury

Type: Thesis | 2024 | University of Southampton

The topological and geometric analysis of organic crystal systems - Jack Doyle

Type: Thesis | 2024 | University of Southampton

Rapid study of organic reactions in flow systems - Dawid Drelinkiewicz

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Lead optimisation of small molecule sulfatase reactivators for multiple sulfatase deficiency - Niama Ezzaidi

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Transforming data to understanding and knowledge for the sequencing of therapeutic oligonucleotides by mass spectrometry - Fabien Hannauer

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Bio-orthogonal chemistry methodologies and chemical biology of cysteine redox signalling - Laura Jane Hayward

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Synthesis of organic heterocycles via electroreductive cyclisations and the computational simulation of electrochemical reactors - Jack William Hodgson

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Computational modelling of modern battery material interfaces - Julian Oliver Holland

Type: Thesis | 2024 | University of Southampton

Synthesis, glycosidation and glycosylation of polyfluorinated carbohydrates - Kler Huonnic

Type: Thesis | 2024 | University of Southampton

An application of artificial intelligence to a linear inverse problem in dipolar spectroscopy - Jake Keeley

Type: Thesis | 2024 | University of Southampton

Developing nanocomposite materials for catalytic applications - Evan William Lynch

Type: Thesis | 2024 | University of Southampton

Nanoparticle deposition onto model AlPO supports for establishing structure-performance relations in catalytic transformations. - Evangeline Bridget McShane

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Electrochemically controlled deposition of nanomaterials - Nabil Ahmed - Nooh Mohamed

Type: Thesis | 2024 | University of Southampton

The use of 2-Sulfonylpyrimidines as warheads for targeted covalent inhibition - Ruxandra Moraru

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Molecular modelling and simulation of the N-Glycosylated efflux machinery in Campylobacter jejuni - Kahlan Newman

Type: Thesis | 2024 | University of Southampton

Development and optimisation of high throughput screening systems in Mammalian cells - Monika Papayova

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Phosphodiester foldamers - Oryn Purewal-Sidhu

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Synthesis and applications of mechanically interlocked molecules - Andrea Savoini

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Investigating and developing skin lipid models for molecular dynamics. - Jack Sawdon

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Polyaromatic molecules for OLEC applications - Michail Skoulikas

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Structure-based modelling of LK peptides in complex with antagomiR-138 RNA - Dimitrios Stamatis

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Multiscale modelling of bacterial and viral sanitisation: A combined molecular dynamics and nuclear magnetic resonance study - Callum Peter Munro Waller

Type: Thesis | 2024 | University of Southampton

Self-supporting titanium carbide and nitride modified electrodes for lithium metal batteries - Junren Wang

Type: Thesis | 2024 | University of Southampton

Organic semiconductor design for light-emitting electrochemical cell technology - Oliver James Ward

Type: Thesis | 2024 | University of Southampton

Electrodeposition of 3D nanostructured materials using a lyotropic liquid crystal template - Joshua White

Type: Thesis | 2024 | University of Southampton

Understanding the nature and origin of fuel powertrain deposits by the use of high resolution chromatography and mass spectrometry - Molly Linda Wilson

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Identifying antibiotic precursors by screening genetically encoded cyclic peptide libraries - Leonie Maria Windeln

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Investigations on three kinds of interfaces with SECM and impact electrochemistry: Experiments and simulations - Jiasheng Yi

Type: Thesis | 2024 | University of Southampton

Chalcogenide thin film battery electrodes by chemical vapour deposition - Zening Zhu

Type: Thesis | 2024 | University of Southampton | Item availability restricted.

Dataset

Data for Chapter 4 (Properties of and Charged Defects in ThO2) of the PhD Thesis - Large-Scale Density Functional Theory (DFT) Simulations of Lanthanide and Actinide Oxide Materials

Type: Dataset | 2024 | University of Southampton | Item not available on this server.

Dataset in support of the article 'Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO2'

Type: Dataset | 2024 | Mendeley Data

Dataset in support of the article 'Synthesis and characterization of UV light-emitting electrochemical cells using phenanthrene fluorene derivatives for flexible applications'