المؤلفون: Jana Seefeldt, Reece G. Miller, Sascha Heinrich, Nils Metzler-Nolte

مصطلحات موضوعية: Biochemistry, Biotechnology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, similar overall yields, preliminary mtt testing, low micromolar range, h nmr measurements, biologically relevant conditions, known ru catalyst, 6 , 50 , orthogonal deprotection reaction, 1 , ql )( η, ru catalyst, reaction rate, dissolved catalyst, >< sub, systematic study, synthesized compounds, stable catalysts, specific manner, slightly lower, particular interest, original complex, middle carbon, methyl group

Relation: https://figshare.com/articles/journal_contribution/Ligand_Modifications_on_a_Cp_quinolate_Ru_Catalyst_to_Improve_Its_Stability_in_a_Bio-orthogonal_Deprotection_Reaction/25021770

الاتاحة: https://doi.org/10.1021/acs.organomet.3c00465.s001
https://figshare.com/articles/journal_contribution/Ligand_Modifications_on_a_Cp_quinolate_Ru_Catalyst_to_Improve_Its_Stability_in_a_Bio-orthogonal_Deprotection_Reaction/25021770

المؤلفون: Deboleena Dhara, Md Anisur Rahman, Eric Ruzicka, Akshay Karekar, Dimitris Vlassopoulos, Kay Saalwächter, Brian Benicewicz, Sanat K Kumar

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Physiology, Pharmacology, Biotechnology, Evolutionary Biology, Ecology, Marine Biology, Infectious Diseases, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, strong enthalpic interactions, nmr measurements show, link densities depend, interactions could either, bridging interactions driven, based elastomer composites, maximum reinforcement occurs, apparently less relevant, nonlinear mechanical response, morphologies hardly changing, cis isomers ), linked melts filled, exposed np surface, mechanical reinforcement, np morphologies, linked elastomers, less sensitive, exposed enough

Relation: https://figshare.com/articles/journal_contribution/Mechanical_Properties_of_Polyisoprene-Based_Elastomer_Composites/25222213

الاتاحة: https://doi.org/10.1021/acs.macromol.3c01084.s001
https://figshare.com/articles/journal_contribution/Mechanical_Properties_of_Polyisoprene-Based_Elastomer_Composites/25222213

المؤلفون: Judit Katalin Szántó, Johannes C. B. Dietschreit, Mikhail Shein, Anne K. Schütz, Christian Ochsenfeld

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Inorganic Chemistry, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, sufficiently large averages, provide crucial support, nuclear magnetic resonance, multiple nucleotide states, important atomistic insights, representative structural ensembles, study sheds light, experimental nmr signals, 31 , protein environment nmr, mm structure optimizations, mm molecular dynamics, structural environment, protein environment, nmr measurements, molecular mechanical, experimental spectra, mm study, spectroscopy allows, reliable assignments, quantum mechanical, probe experimentally

Relation: https://figshare.com/articles/journal_contribution/Systematic_QM_MM_Study_for_Predicting_sup_31_sup_P_NMR_Chemical_Shifts_of_Adenosine_Nucleotides_in_Solution_and_Stages_of_ATP_Hydrolysis_in_a_Protein_Environment/25428661

الاتاحة: https://doi.org/10.1021/acs.jctc.3c01280.s001

المؤلفون: Mingoo Jin, Ryunosuke Kitsu, Natsumi Hammyo, Ayana Sato-Tomita, Motohiro Mizuno, Alexander S. Mikherdov, Mikhail Tsitsvero, Andrey Lyalin, Tetsuya Taketsugu, Hajime Ito

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Neuroscience, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, thermally induced crystal, newly developed type, negative entropy change, lower entropic penalty, h nmr measurements, driven clutch stack, bulky si moiety, 5 cal mol, 3 cal mol, peripheral phenylene groups, intermolecularly correlated rotation, crystal phase transition, 95 ° rotations, correlated molecular rotations, bulky stator represents, 2 , correlated 2, phenylene units, molecular level, crystalline phase, correlated motions, 85 °

Relation: https://figshare.com/articles/journal_contribution/A_Steric-Repulsion-Driven_Clutch_Stack_of_Triaryltriazines_Correlated_Molecular_Rotations_and_a_Thermoresponsive_Gearshift_in_the_Crystalline_Solid/24766908

الاتاحة: https://doi.org/10.1021/jacs.3c08909.s001
https://figshare.com/articles/journal_contribution/A_Steric-Repulsion-Driven_Clutch_Stack_of_Triaryltriazines_Correlated_Molecular_Rotations_and_a_Thermoresponsive_Gearshift_in_the_Crystalline_Solid/24766908

المؤلفون: Sivabalan Sakthivel, Mazen Yousef Kanj

المصدر: Energy Reports, Vol 7, Iss , Pp 4235-4248 (2021)

مصطلحات موضوعية: Wettability, NMR measurements, Contact angle, Amott cell, Spontaneous imbibition, Electrical engineering. Electronics. Nuclear engineering, TK1-9971

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2352484721004662; https://doaj.org/toc/2352-4847

URL الوصول: https://doaj.org/article/9543211fd12a4e0c92995b22f688605d

المؤلفون: Christopher A. Colla (14309671), Ian Colliard (5348105), April M. Sawvel (1611133), May Nyman (290858), Harris E. Mason (1641886), Gauthier J.-P. Deblonde (1990048)

مصطلحات موضوعية: Biophysics, Biochemistry, Ecology, Sociology, Plant Biology, Chemical Sciences not elsewhere classified, weakly paramagnetic nature, relatively overlooked class, associated spectroscopic techniques, two stable complexes, new chelating platforms, inherently difficult due, early lanthanides versus, 7 –, 4 –, 3 +, interconversion reaction constants, first nmr measurements, contrasting trivalent lanthanide, 31 , 11 , state nmr deciphering, americium – pom, 2 , polyoxometalates via solution, 1 , 2 complexes, pom ligands, new avenue, late lanthanides

Relation: https://figshare.com/articles/journal_contribution/Contrasting_Trivalent_Lanthanide_and_Actinide_Complexation_by_Polyoxometalates_via_Solution-State_NMR/21791245

الاتاحة: https://doi.org/10.1021/acs.inorgchem.2c04014.s001

المؤلفون: Evgenii S. Stoyanov, Irina V. Stoyanova

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 16; Pages: 9111

مصطلحات موضوعية: chloronium cation, vinyl and propargyl carbocations, magic-angle spinning NMR measurements

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Molecular Biophysics; https://dx.doi.org/10.3390/ijms23169111

الاتاحة: https://doi.org/10.3390/ijms23169111

المؤلفون: Mohamed Gamal Rezk, Rahul S. Babu, Suaibu O. Badmus, Abdulrauf R. Adebayo

المصدر: Energies; Volume 15; Issue 17; Pages: 6305

مصطلحات موضوعية: capillary trapping, IR gas saturations, snap-off, SAG, NMR measurements, foam, CCS

وصف الملف: application/pdf

Relation: H: Geo-Energy; https://dx.doi.org/10.3390/en15176305

الاتاحة: https://doi.org/10.3390/en15176305

المؤلفون: Štefan Hardoň, Jozef Kúdelčík, Anton Baran, Ondrej Michal, Pavel Trnka, Jaroslav Hornak

المصدر: Polymers; Volume 14; Issue 11; Pages: 2202

مصطلحات موضوعية: polyesterimide, zinc oxide, aluminium oxide, dielectric spectroscopy, dielectric relaxation, 1 H NMR measurements

وصف الملف: application/pdf

Relation: Polymer Analysis and Characterization; https://dx.doi.org/10.3390/polym14112202

الاتاحة: https://doi.org/10.3390/polym14112202

المؤلفون: Angus J. Robertson (11535072), Alex L. Wilson (3364724), Matthew J. Burn (4845355), Matthew J. Cliff (396186), Paul L. A. Popelier (11466731), Jonathan P. Waltho (1990087)

مصطلحات موضوعية: Biophysics, Biochemistry, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, relative energy gradient, providing additional validation, phosphorus atom provide, negative charge density, leaving group oxygen, f nmr measurements, experimental nmr measurements, establishing metal fluorides, qm model predictions, transferring phosphoryl group, equivalent qm models, employed qm models, combined qm models, wt , d10n , 4 , phosphoryl transfer reactions, tsa complexes confirms, ray crystal structures, 19 , proton transfer continues, partial proton transfer, enzyme conformational change, qm models

Relation: https://figshare.com/articles/journal_contribution/The_Relationship_between_Enzyme_Conformational_Change_Proton_Transfer_and_Phosphoryl_Transfer_in_Phosphoglucomutase/16766382

الاتاحة: https://doi.org/10.1021/acscatal.1c01389.s001

المؤلفون: Krishna Kishor Dey (11335535), Lekhan Lodhi (11335538), Manasi Ghosh (9927545)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Physiology, Pharmacology, Biotechnology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, dynamic, carbon nuclei sites, atorvastatin calcium, magnetization decay curve, drug molecule, CSA, Solid-State NMR Measurements, relaxation time, chemical shift anisotropy, ATC-I, spin-lattice relaxation time

Relation: https://figshare.com/articles/journal_contribution/Study_of_the_Variation_of_the_Electronic_Distribution_and_Motional_Dynamics_of_Two_Independent_Molecules_of_an_Asymmetric_Unit_of_Atorvastatin_Calcium_by_Solid-State_NMR_Measurements/16446104

الاتاحة: https://doi.org/10.1021/acsomega.1c03095.s004

المؤلفون: Miroslav Dvořák (1362453), Shyamal K. K. Prasad (2936775), Cameron B. Dover (11370396), Chelsea R. Forest (11370399), Akasha Kaleem (11370402), Rowan W. MacQueen (5786108), Anthony J. Petty (4747206), Roslyn Forecast (11370405), Jonathon E. Beves (813641), John E. Anthony (1275723), Murad J. Y. Tayebjee (11335348), Asaph Widmer-Cooper (1385394), Pall Thordarson (651624), Timothy W. Schmidt (1271256)

مصطلحات موضوعية: Biophysics, Biochemistry, Physiology, Ecology, Sociology, Cancer, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, transient absorption measurements, total internal reflection, nmr measurements confirm, fluorescence lifetime shortens, avoid reabsorption effects, nearly two magnitudes, aggregation takes place, rapid singlet fission, exothermic singlet fission, diffusive encounter mechanism, highest concentration measured, singlet fission, nearly identical, diffusive encounters, aggregation occurs, state dynamics, pentacene solutions, higher concentrations, evanescent wave, emissive intermediate, data show

Relation: https://figshare.com/articles/journal_contribution/Singlet_Fission_in_Concentrated_TIPS-Pentacene_Solutions_The_Role_of_Excimers_and_Aggregates/16552701

الاتاحة: https://doi.org/10.1021/jacs.1c05767.s001

المؤلفون: Mathieu Lions (5921549), Cécile Daniel (1728637), Benoit Coasne (543518), Frederic Meunier (2641774), Alain Tuel (1691215), David Farrusseng (1298241)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Ecology, Cancer, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, two protic substrates, different polar substrates, consistent picture arises, si nmr measurements, 29 , switching vapor adsorption, 2 , critical hydroxyl concentration, hydroxyl concentration, critical concentration, ∼ 2, vapor adsorption, critical value, zeolites assisted, situ ir, rich zeolites, pivotal role, meoh ), large set, induced crossover, hydrophobic adsorbents, generic behavior, gas adsorption

Relation: https://figshare.com/articles/journal_contribution/The_Pivotal_Role_of_Critical_Hydroxyl_Concentration_in_Si-Rich_Zeolites_for_Switching_Vapor_Adsorption/16764373

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c07124.s001

المؤلفون: Pablo Hermosilla (5566490), Pilar García-Orduña (1768492), Fernando J. Lahoz (1712857), Víctor Polo (1663534), Miguel A. Casado (1431553)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Sociology, Developmental Biology, Plant Biology, Computational Biology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, vt nmr measurements, reactivity toward dihydrogen, induced profile due, hard bases yielded, electron rich phosphane, bis ­( hydrido, rh ­( pme, rh ­( iii, hydride carbonyl species, carbonyl complex follows, 6 , 4 , 3 , ph (< b, 6 , 12 , 11 , ray molecular structure

Relation: https://figshare.com/articles/journal_contribution/Rh_Complexes_with_Pincer_Carbene_CNC_Lutidine-Based_Ligands_Reactivity_Studies_toward_H_sub_2_sub_Addition/16920291

الاتاحة: https://doi.org/10.1021/acs.organomet.1c00453.s001

المؤلفون: Kavoos Kolahdouzan (4016594), O. Maduka Ogba (1873240), Daniel J. O’Leary (1318050)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Neuroscience, Pharmacology, Biotechnology, Evolutionary Biology, Computational Biology, Chemical Sciences not elsewhere classified, hydroxyl chemical shifts, h nmr studies, h nmr measurements, excess methanol equivalents, excess equivalents methanol, chemical shift differences, od isotope shifts, partially deuterated 1, revealed significant oh, oh hydrogen bonds, equilibrium isotope effect, ), 6 , 2 , 1 , isotope shift, isotope effect, , isotope effects, >< sub, intramolecular oh

Relation: https://figshare.com/articles/journal_contribution/_sup_1_sup_H_NMR_Studies_of_Intramolecular_OH_OH_Hydrogen_Bonds_via_Titratable_Isotope_Shifts/17026201

الاتاحة: https://doi.org/10.1021/acs.joc.1c01910.s001

المؤلفون: Xi Wang (15032), Binhan Yu (8108546), Junji Iwahara (1361682)

مصطلحات موضوعية: Biophysics, Biochemistry, Hematology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, unique nmr method, kinetic rate constants, hydrogen bonding increases, arg ), asparagine, 2 , 2 , dna hindered rotation, hydrogen bonding, protein asparagine, nmr measurements, kinetic data, hindered rotations, asn ), rotational dynamics, quantitatively characterized, energy barriers, different temperatures, data suggest, chain nh, bound states, antp homeodomain, also examined, accurate determination

Relation: https://figshare.com/articles/journal_contribution/Hindered_Rotations_of_Protein_Asparagine_Glutamine_Side-Chain_NH_sub_2_sub_Groups_Impact_of_Hydrogen_Bonding_with_DNA/17029874

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03467.s001

المؤلفون: Yuxia Liu (1779592), Shiting Wang (11829622), Zhifeng Dai (1614817), Yubing Xiong (11829625)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, tetra ­( 4, form cyclic carbonates, climate change caused, characterized using ftir, heterogeneous catalysts functionalized, c nmr measurements, 80 ° c, poly ­( 4, carbon dioxide conversion, almost quantitative conversion, efficient heterogeneous catalysts, 3 , 2 , cycloaddition reactions catalyzed, 1 atm co, 13 , cobalt porphyrin cross, c <, efficient catalysts, cobalt porphyrin, vinylbenzyl chloride, synergistic catalysis, results demonstrated, promising strategy, polymer backbone

Relation: https://figshare.com/articles/journal_contribution/Cobalt_Porphyrin-Cross-Linked_Poly_Ionic_Liquid_s_as_Efficient_Heterogeneous_Catalysts_for_Carbon_Dioxide_Conversion_under_Mild_Conditions/17170780

الاتاحة: https://doi.org/10.1021/acs.iecr.1c03340.s001

المؤلفون: Ever Velasco (2555779), Shikai Xian (1485889), Hao Wang (39217), Simon J. Teat (1304670), David H. Olson (2115448), Kui Tan (1631197), Saif Ullah (2360377), Thomas M. Osborn Popp (3365735), Ashley D. Bernstein (11161167), Kolade A Oyekan (11161170), Andrew J. Nieuwkoop (1334439), Timo Thonhauser (1631194), Jing Li (10611)

مصطلحات موضوعية: Biophysics, Biochemistry, Sociology, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, research octane number, FTIR, C 6 isomers n HEX, OH, Effective Separation, dibranched isomers, RON, 23 DMB, premium grade gasoline, chemical species, DMA, carboxylate linker, separation mechanisms, H 2 O, state NMR measurements, scu topology, Column breakthrough measurements, sieving mechanism, separation mechanism, energy-intensive distillations, C 6 Alkane Isomers Adsorptive separ., hexane isomers, Zn-adtb discriminates

Relation: https://figshare.com/articles/journal_contribution/Flexible_Zn-MOF_with_Rare_Underlying_i_scu_i_Topology_for_Effective_Separation_of_C6_Alkane_Isomers/15025596

الاتاحة: https://doi.org/10.1021/acsami.1c08678.s001

المؤلفون: Felix Kümmerer (11170829), Simone Orioli (4914619), David Harding-Larsen (11170832), Falk Hoffmann (5120432), Yulian Gavrilov (1365888), Kaare Teilum (1885648), Kresten Lindorff-Larsen (317515)

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Biotechnology, Cancer, Plant Biology, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, block selection, relaxation data, protein dynamics, Molecular Simulations Proteins display, T 4 lysozyme, approach, side-chain NMR relaxation measurements, relaxation measurements, NMR measurements, Side-Chain NMR Relaxation Data, term ABSURDer, deuterium relaxation measurements, dynamics simulations

Relation: https://figshare.com/articles/journal_contribution/Fitting_Side-Chain_NMR_Relaxation_Data_Using_Molecular_Simulations/15034949

الاتاحة: https://doi.org/10.1021/acs.jctc.0c01338.s001

المؤلفون: Jordan Ward-Williams (10672976), Jean-Pierre Korb (2792284), Laura Rozing (10672979), Andrew J. Sederman (2149537), Mick D. Mantle (2063617), Lynn F. Gladden (731456)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Ecology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, NMRD, THF, 1 H species, profile, γ- alumina catalyst support material, surface binding mechanism, Mesoporous Catalyst Support, functionality-specific relaxation p., protic, surface dynamics, chemical exchange process, field cycling NMR measurements, Variable-Temperature Fast Field Cyc., DMSO

Relation: https://figshare.com/articles/journal_contribution/Characterizing_Solid_Liquid_Interactions_in_a_Mesoporous_Catalyst_Support_Using_Variable-Temperature_Fast_Field_Cycling_NMR/14453306

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c00218.s001