Search Results - "Lomas, John S."

Cooperativity and intermolecular hydrogen bonding in donor‐acceptor complexes of phenol and polyhydroxybenzenes by Lomas, John S., Rosenberg, Robert E.

“…Cooperativity between intermolecular and intramolecular hydrogen bonds is an important factor determining the strength of donor‐acceptor complexes. Its impact…”
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1H NMR spectra of ethane-1,2-diol and other vicinal diols in benzene: GIAO/DFT shift calculations by Lomas, John S.

“…The proton NMR spectra of several 1,2‐diols in benzene have been analysed so as to associate each magnetically nonequivalent proton with its chemical shift…”
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Cooperativity in alkane‐1,2‐ and 1,3‐polyols: NMR, QTAIM, and IQA study of O─H…OH and C─H…OH bonding interactions by Lomas, John S.

“…Proton nuclear magnetic resonance chemical shifts and atom–atom interaction energies for alkanepolyols with 1,2‐diol and 1,3‐diol repeat units, and for their…”
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Intramolecular O―H⋯O and C―H⋯O hydrogen bond cooperativity in D‐glucopyranose and D‐galactopyranose—A DFT/GIAO, QTAIM/IQA, and NCI approach by Lomas, John S.

“…Density functional theory calculations are used to compute proton nuclear magnetic resonance (NMR) chemical shifts, interatomic distances, atom–atom…”
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Relationships between NMR shifts and interaction energies in biphenyls, alkanes, aza‐alkanes, and oxa‐alkanes with X─H…H─Y and X─H…Z (X, Y = C or N; Z = N or O) hydrogen bonding by Lomas, John S.

“…Hydrogen–hydrogen C─H…H─C bonding between the bay‐area hydrogens in biphenyls, and more generally in congested alkanes, very strained polycyclic alkanes, and…”
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(1)H NMR spectra of alcohols in hydrogen bonding solvents: DFT/GIAO calculations of chemical shifts by Lomas, John S

“…Proton nuclear magnetic resonance (NMR) shifts of aliphatic alcohols in hydrogen bonding solvents have been computed on the basis of density functional theory…”
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Recent advances in nanotechnology for eradicating bacterial biofilm by Sahli, Célia, Moya, Sergio E, Lomas, John S, Gravier-Pelletier, Christine, Briandet, Romain, Hémadi, Miryana

“…Microorganisms grouped together into spatially-organized communities called biofilms, are the cause of dramatic chronic infections in plants, animals and…”
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1H NMR spectra of alcohols in hydrogen bonding solvents: DFT/GIAO calculations of chemical shifts by Lomas, John S.

“…Proton nuclear magnetic resonance (NMR) shifts of aliphatic alcohols in hydrogen bonding solvents have been computed on the basis of density functional theory…”
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Functionalized maghemite nanoparticles for enhanced adsorption of uranium from simulated wastewater and magnetic harvesting by Xiao, Yawen, Helal, Ahmed S., Mazario, Eva, Mayoral, Alvaro, Chevillot-Biraud, Alexandre, Decorse, Philippe, Losno, Rémi, Maurel, François, Ammar, Souad, Lomas, John S., Hémadi, Miryana

“…Maghemite (γ-Fe2O3) nanoparticles (MNPs) were functionalized with 3-aminopropyltriethoxysilane (APTES) to give APTES@Fe2O3 (AMNP) which was then reacted with…”
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Cooperativity and topological hydrogen bonding in aromatic diol complexes by Rosenberg, Robert E., Lomas, John S.

“…Complexes of three aromatic diols, catechol, naphthalene‐1,8‐diol, and fluorene‐4,5‐diol, with a series of hydrogen bond acceptors (HBAs) that have oxygen,…”
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On the importance of intramolecular hydrogen bond cooperativity in d‐glucose – an NMR and QTAIM approach by Lomas, John S., Joubert, Laurent

“…The idea that hydrogen bond cooperativity is responsible for the structure and reactivity of carbohydrates is examined. Density functional theory and…”
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Cooperativity in a cycloalkane‐1,2/1,3‐polyol corona: Topological hydrogen bonding in 1,2‐diol motifs by Lomas, John S., Rosenberg, Robert E., Brémond, Eric

“…A corona, consisting of 18 carbon atoms bearing 12 hydroxy groups in a continuous hydrogen‐bonded chain, is built up by alternating degenerate conformations of…”
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1H NMR spectra of alcohols and diols in chloroform: DFT/GIAO calculation of chemical shifts by Lomas, John S.

“…Proton nuclear magnetic resonance (NMR) shifts of aliphatic alcohols in chloroform have been computed on the basis of density functional theory, the solvent…”
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1H NMR spectra of butane-1,4-diol and other 1,4-diols: DFT calculation of shifts and coupling constants by Lomas, John S.

“…The proton nuclear magnetic resonance (NMR) spectra of butane‐1,4‐diol, pentane‐1,4‐diol, (S,S)‐hexane‐2,5‐diol, 2,5‐dimethylhexane‐2,5‐diol and…”
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1H NMR spectra of alkane-1,3-diols in benzene: GIAO/DFT shift calculations by Lomas, John S.

“…The proton nuclear magnetic resonance (NMR) spectra of propane‐1,3‐diol, 2‐methylpropane‐1,3‐diol, 2,2‐dimethylpropane‐1,3‐diol, butane‐1,3‐diol,…”
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Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of 1 H NMR chemical shifts by Lomas, John S, Joubert, Laurent, Maurel, François

“…Proton nuclear magnetic resonance (NMR) shifts of the free diol and of its 1 : 1 and 1 : 2 hydrogen-bonded complexes with pyridine have been computed for five…”
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TRAIL acts synergistically with iron oxide nanocluster-mediated magneto- and photothermia by Belkahla, Hanene, Mazarío, Eva, Sangnier, Anouchka Plan, Lomas, John S, Gharbi, Tijani, Ammar, Souad, Micheau, Olivier, Wilhelm, Claire, Hémadi, Miryana

“…Targeting TRAIL (Tumor necrosis factor (TNF)-Related Apoptosis-Inducing Ligand) receptors for cancer therapy remains challenging due to tumor cell resistance…”
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Association of symmetrical alkane diols with pyridine: DFT/GIAO calculation of 1H NMR chemical shifts by Lomas, John S., Joubert, Laurent, Maurel, François

“…Proton nuclear magnetic resonance (NMR) shifts of the free diol and of its 1 : 1 and 1 : 2 hydrogen‐bonded complexes with pyridine have been computed for five…”
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Extremely Large Acceleration of the Solvolysis of 1-Adamantyl Chloride upon Incorporation of a Spiro Adamantane Substituent: Solvolysis of 1-Chlorospiro[adamantane-2,2'-adamantane] by Lomas, John S, D'Souza, Malcolm J, Kevill, Dennis N

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Self-association in {2-[3,4-alkylenedioxy-5-(3-pyridyl)]-thienyl}alkanols: an NMR, IR, and single-crystal X-ray study by Lomas, John S., Cordier, Christine, Adenier, Alain, Maurel, François, Vaissermann, Jacqueline

“…syn‐2,2,4,4‐Tetramethyl‐3‐{2‐[3,4‐alkylenedioxy‐5‐(3‐pyridyl)]thienyl}pentan‐3‐ols self‐associate both in the solid state and in solution. Single‐crystal X‐ray…”
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