Works matching DE "CONFORMATIONAL isomers"

Results: 144

Geminiarene‐Based Charge‐Transfer Cocrystals with Dichromatic Variants and Stimuli‐Responsive Structural Interconversion.

Published in:

Angewandte Chemie, 2025, v. 137, n. 23, p. 1, doi. 10.1002/ange.202506549

By:

Ren, Susu;
Sun, Yu‐Xiang;
Wang, Zi‐Yu;
Li, Xiang‐Shuai;
Wu, Jia‐Rui

Publication type:

Article

Contents: Macromol. Rapid Commun. 20/2013.

Published in:: Macromolecular Rapid Communications, 2013, v. 34, n. 20, p. 1591, doi. 10.1002/marc.201370068
Publication type:: Article

Chiral Perylene Bisimide Dyes by Interlocked Arene Substituents in the Bay Area.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 46, p. 11997, doi. 10.1002/chem.202101877

By:

Renner, Rebecca;
Mahlmeister, Bernhard;
Anhalt, Olga;
Stolte, Matthias;
Würthner, Frank

Publication type:

Article

A Design Criteria to Achieve Giant Ising‐Type Anisotropy in CoII‐Encapsulated Metallofullerenes.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 2, p. 464, doi. 10.1002/chem.201903618

By:

Singh, Mukesh Kumar;
Shukla, Pratima;
Khatua, Munmun;
Rajaraman, Gopalan

Publication type:

Article

Participation of Alkoxy Groups in Reactions of Acetals: Violation of the Reactivity/Selectivity Principle in a Curtin-Hammett Kinetic Scenario.

Published in:

Angewandte Chemie, 2015, v. 127, n. 41, p. 12255, doi. 10.1002/ange.201503525

By:

Garcia, Angie;
Sanzone, Jillian R.;
Woerpel, K. A.

Publication type:

Article

Cis-trans isomerization of omega dihedrals in proteins.

Published in:

Amino Acids, 2013, v. 45, n. 2, p. 279, doi. 10.1007/s00726-013-1511-3

By:

Craveur, Pierrick;
Joseph, Agnel;
Poulain, Pierre;
Brevern, Alexandre;
Rebehmed, Joseph

Publication type:

Article

Improving computational efficiency and tractability of protein design using a piecemeal approach. A strategy for parallel and distributed protein design.

Published in:

Bioinformatics, 2014, v. 30, n. 8, p. 1138, doi. 10.1093/bioinformatics/btt735

By:

Pitman, Derek J.;
Schenkelberg, Christian D.;
Huang, Yao-Ming;
Teets, Frank D.;
DiTursi, Daniel;
Bystroff, Christopher

Publication type:

Article

Characteristic features of the behavior of charged hydrophilic and hydrophobic macromolecules in solutions of different ionic strength.

Published in:

Doklady Chemistry, 2013, v. 448, n. 1, p. 16, doi. 10.1134/S0012500813010059

By:

Pavlov, G.;
Okatova, O.;
Ulyanova, N.;
Gavrilova, I.;
Panarin, E.

Publication type:

Article

Pressure-induced phase transition of 1,4-dioxane: From twisted-boat- to chair conformer.

Published in:

European Physical Journal D (EPJ D), 2020, v. 74, n. 6, p. 1, doi. 10.1140/epjd/e2020-100651-3

By:

Chen, Yixin;
Li, Aijun;
Zhao, Yue;
Bi, Jingkai;
Zheng, Mengying;
Zhou, Mi;
Wang, Hongbo

Publication type:

Article

Density Functional Theory based study on structural, vibrational and NMR properties of cis - trans fulleropyrrolidine mono-adducts.

Published in:

PLoS ONE, 2018, v. 13, n. 11, p. 1, doi. 10.1371/journal.pone.0207635

By:

Bennia, Seif;
Milad, Rim;
Messaoudi, Sabri;
de Person, Marine;
Moussa, Fathi;
Abderrabba, Manef;
Merlet, Denis

Publication type:

Article

Rotamer-Induced Dynamic Nature of a [2]Rotaxane and Control of the Dynamics by External Stimuli.

Published in:

European Journal of Organic Chemistry, 2017, v. 2017, n. 12, p. 1583, doi. 10.1002/ejoc.201601525

By:

Santra, Saikat;
Ghosh, Pradyut

Publication type:

Article

Stabilization of a Natural β-Hairpin by a Twist-Compatible β-Turn Mimetic.

Published in:

European Journal of Organic Chemistry, 2015, v. 2015, n. 11, p. 2382, doi. 10.1002/ejoc.201500048

By:

Körling, Matthias;
Geyer, Armin

Publication type:

Article

Hydrogen Separation from Gas Mixtures by Its Chemical Storage via Hydrogenation of Aromatic Compounds over Dispersed Ni–Mo–Sulfide Catalysts.

Published in:

Petroleum Chemistry, 2023, v. 63, n. 6, p. 674, doi. 10.1134/S096554412303009X

By:

Baigildin, I. G.;
Izergina, E. A.;
Talanova, M. Yu.;
Karakhanov, E. A.;
Maximov, A. L.;
Vutolkina, A. V.

Publication type:

Article

Generation of novel neuroinvasive prions following intravenous challenge.

Published in:

Brain Pathology, 2018, v. 28, n. 6, p. 999, doi. 10.1111/bpa.12598

By:

Aguilar‐Calvo, Patricia;
Bett, Cyrus;
Sevillano, Alejandro M.;
Kurt, Timothy D.;
Lawrence, Jessica;
Soldau, Katrin;
Hammarström, Per;
Nilsson, K. Peter R.;
Sigurdson, Christina J.

Publication type:

Article

Coordination Behavior of a Planar Chiral Cyclic (Amino)(Ferrocenyl)Carbene Ligand in Iridium Complexes.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 66, p. 16806, doi. 10.1002/chem.201703467

By:

Shikata, Yuta;
Yasue, Risa;
Yoshida, Kazuhiro

Publication type:

Article

Crystallographic, Spectroscopic, and Theoretical Investigation of the Efficiently Separated 21 R and 21 S-Diastereoisomers of Argatroban.

Published in:

Chirality, 2013, v. 25, n. 12, p. 871, doi. 10.1002/chir.22228

By:

Ferraboschi, Patrizia;
Colombo, Diego;
Legnani, Laura;
Toma, Lucio;
Grisenti, Paride;
Vistoli, Giulio;
Meneghetti, Fiorella

Publication type:

Article

Docking studies to evaluate the biological activities of the Co(II) and Ni(II) complexes containing the triazine unit: supported by structural, spectral, and theoretical studies.

Published in:

Journal of Coordination Chemistry, 2018, v. 71, n. 23, p. 3893, doi. 10.1080/00958972.2018.1543871

By:

Marandi, Farzin;
Moeini, Keyvan;
Arkak, Akbar;
Mardani, Zahra;
Krautscheid, Harald

Publication type:

Article

BCL::CONF: small molecule conformational sampling using a knowledge based rotamer library.

Published in:

Journal of Cheminformatics, 2015, v. 7, n. 1, p. 1, doi. 10.1186/s13321-015-0095-1

By:

Kothiwale, Sandeepkumar;
Mendenhall, Jeffrey L.;
Meiler, Jens

Publication type:

Article

Effect of Short- and Long-Range Interactions on Trp Rotamer Populations Determined by Site-Directed Tryptophan Fluorescence of Tear Lipocalin.

Published in:

PLoS ONE, 2013, v. 8, n. 10, p. 1, doi. 10.1371/journal.pone.0078754

By:

Gasymov, Oktay K.;
Abduragimov, Adil R.;
Glasgow, Ben J.

Publication type:

Article

Ligand Pose and Orientational Sampling in Molecular Docking.

Published in:

PLoS ONE, 2013, v. 8, n. 10, p. 1, doi. 10.1371/journal.pone.0075992

By:

Coleman, Ryan G.;
Carchia, Michael;
Sterling, Teague;
Irwin, John J.;
Shoichet, Brian K.

Publication type:

Article

RosettaEPR: Rotamer Library for Spin Label Structure and Dynamics.

Published in:

PLoS ONE, 2013, v. 8, n. 9, p. 1, doi. 10.1371/journal.pone.0072851

By:

Alexander, Nathan S.;
Stein, Richard A.;
Koteiche, Hanane A.;
Kaufmann, Kristian W.;
Mchaourab, Hassane S.;
Meiler, Jens

Publication type:

Article

Structural Basis for GTP-Dependent Dimerization of Hydrogenase Maturation Factor HypB.

Published in:

PLoS ONE, 2012, v. 7, n. 1, p. 1, doi. 10.1371/journal.pone.0030547

By:

Kwok-Ho Chan;
Ting Li;
Ching-On Wong;
Kam-Bo Wong

Publication type:

Article

PTSA‐Catalyzed [3+2] Cycloaddition of in Situ Generated 3‐Ylidene Oxindoles with Coumarin‐Based N‐Phenyl Enamine Derivatives.

Published in:

European Journal of Organic Chemistry, 2024, v. 27, n. 10, p. 1, doi. 10.1002/ejoc.202301310

By:

Yadav, Anoop;
Dahiya, Pooja;
Rawat, Megha;
Peddinti, Rama Krishna

Publication type:

Article

Total Synthesis of the Antitumor Depsipeptide FE399 and Its S‐Benzyl Derivative: A Macrolactamization Approach.

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 32, p. 5119, doi. 10.1002/ejoc.202000459

By:

Tonoi, Takayuki;
Ikeda, Miyuki;
Sato, Teruyuki;
Inohana, Takehiko;
Kawahara, Ryo;
Murata, Takatsugu;
Shiina, Isamu

Publication type:

Article

Kinetic characterization of the sole nonmuscle myosin-2 from the model organism Drosophila melanogaster.

Published in:

FASEB Journal, 2015, v. 29, n. 4, p. 1456, doi. 10.1096/fj.14-266742

By:

Heissler, Sarah M.;
Chinthalapudi, Krishna;
Sellers, James R.

Publication type:

Article

How Water Interacts with Halogenated Anesthetics: The Rotational Spectrum of Isoflurane-Water.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 7, p. 1980, doi. 10.1002/chem.201303724

By:

Gou, Qian;
Feng, Gang;
Evangelisti, Luca;
Vallejo ‐ López, Montserrat;
Spada, Lorenzo;
Lesarri, Alberto;
Cocinero, Emilio J.;
Caminati, Walther

Publication type:

Article

A Conformationally Flexible Dinuclear PtII Complex with Differential Behavior of its Two States toward Quadruplex DNA.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 34, p. 11429, doi. 10.1002/chem.201301400

By:

von Grebe, Philipp;
Suntharalingam, Kogularamanan;
Vilar, Ramon;
Sanz Miguel, Pablo J.;
Herres‐Pawlis, Sonja;
Lippert, Bernhard

Publication type:

Article

Refining the Interpretation of Near-Infrared Band Shapes in a Polyynediyl Molecular Wire.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 30, p. 9780, doi. 10.1002/chem.201301747

By:

Parthey, Matthias;
Gluyas, Josef B. G.;
Schauer, Phil A.;
Yufit, Dmitry S.;
Howard, Judith A. K.;
Kaupp, Martin;
Low, Paul J.

Publication type:

Article

Overcoming NMR line broadening of nitrogen containing compounds: A simple solution.

Published in:

Magnetic Resonance in Chemistry, 2024, v. 62, n. 3, p. 198, doi. 10.1002/mrc.5432

By:

Ma, Junhe;
Ye, Qingmei;
Green, Rebecca A.;
Gurak, John;
Ayers, Sloan;
Huang, Yande;
Miller, Scott A.

Publication type:

Article

Acrylamide derivatives: A dynamic nuclear magnetic resonance study.

Published in:

Magnetic Resonance in Chemistry, 2023, v. 61, n. 5, p. 277, doi. 10.1002/mrc.5331

By:

Larina, Lyudmila I.;
Albanov, Alexander I.;
Zelinskiy, Stanislav N.;
Annenkov, Vadim V.;
Rusakova, Irina L.

Publication type:

Article

A low‐temperature dynamic 1H, 13C, and 77Se NMR study of 2,2′‐selenodicyclohexanol.

Published in:

Magnetic Resonance in Chemistry, 2022, v. 60, n. 1, p. 165, doi. 10.1002/mrc.5209

By:

Shainyan, Bagrat A.;
Kurkutov, Evgeny O.;
Kleinpeter, Erich

Publication type:

Article

Distinguishing rotamers in N-trifluoroacetyl-3-benzazepine derivatives.

Published in:

Magnetic Resonance in Chemistry, 2016, v. 54, n. 7, p. 597, doi. 10.1002/mrc.4406

By:

Acevedo‐Fuentes, Williams A.;
Cassels, Bruce K.

Publication type:

Article

Conformational equilibrium and dynamic behavior of bis-N-triflyl substituted 3,8-diazabicyclo[3.2.1]octane.

Published in:

Magnetic Resonance in Chemistry, 2014, v. 52, n. 8, p. 448, doi. 10.1002/mrc.4086

By:

Shainyan, Bagrat A.;
Moskalik, Mikhail Yu.;
Heydenreich, Matthias;
Kleinpeter, Erich

Publication type:

Article

Sterically crowded di-indazolyl-pyridines: Iron(II) complexation studies.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2023, v. 78, n. 3/4, p. 223, doi. 10.1515/znb-2023-0311

By:

Omar, Suhad;
Irran, Elisabeth;
Wiedemann, Dennis;
Baabe, Dirk;
Grohmann, Andreas

Publication type:

Article

Screening and Identification of High-Yielding Strains of Conjugated Linoleic Acid and Optimization of Conditions for the Conversion of CLA.

Published in:

Foods, 2024, v. 13, n. 12, p. 1830, doi. 10.3390/foods13121830

By:

Chen, Cunshe;
Tong, Fang;
Sun, Ruohao;
Zhang, Ying;
Pang, Zhihua;
Liu, Xinqi

Publication type:

Article

In-silico Absorption, Distribution, Metabolism, Elimination and Toxicity profile of 9,12,15-Octadecatrienoic acid (ODA) from Moringa oleifera.

Published in:

Journal of Drug Delivery & Therapeutics, 2022, v. 12, p. 142, doi. 10.22270/jddt.v12i2-s.5289

By:

K., Parvathi;
C., Kandeepan;
M., Sabitha;
N., Senthilkumar;
S., Ramya;
NM., Boopathi;
L., Ramanathan;
R., Jayakumararaj

Publication type:

Article

A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and rotamers.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-42450-1

By:

El-Demerdash, Safinaz H.;
Halim, Shimaa Abdel;
El-Nahas, Ahmed M.;
El-Meligy, Asmaa B.

Publication type:

Article

A density functional theory study of the molecular structure, reactivity, and spectroscopic properties of 2-(2-mercaptophenyl)-1-azaazulene tautomers and rotamers.

Published in:

Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-42450-1

By:

El-Demerdash, Safinaz H.;
Halim, Shimaa Abdel;
El-Nahas, Ahmed M.;
El-Meligy, Asmaa B.

Publication type:

Article

DUAL FLUORESCENCE EMISSION OF p-N,N-(DIALKYLAMINO) BENZYL-IDENEMALONONITRILE AND RELATED SYSTEMS: EVIDENCE FOR DIRECT EXCITATION OF GROUND STATE TWISTED INTRAMOLECULAR CHARGE TRANSFER (TICT) CONFORMER.

Published in:

Bulletin of the Chemical Society of Ethiopia, 2024, v. 38, n. 5, p. 1413, doi. 10.4314/bcse.v38i5.17

By:

Woldegiorgis, Desta G.;
Mengesha, Ephriem T.;
G., Neelaiah Babu;
Susai Boobalan, Maria;
Demissie, Taye B.;
Teju, Endale

Publication type:

Article

Cover Feature: Hydrogen Bonding vs Dihydrogen Bonding in the Air Stable Primary Phosphine ortho‐Phosphinophenol (Eur. J. Inorg. Chem. 25/2024).

Published in:

European Journal of Inorganic Chemistry, 2024, v. 27, n. 25, p. 1, doi. 10.1002/ejic.202482502

By:

Stone, Alexander M.;
Golden, Andrew R.;
Daniel, Shan M.;
Rheingold, Arnold L.;
Protasiewicz, John D.

Publication type:

Article

Hydrogen Bonding vs Dihydrogen Bonding in the Air Stable Primary Phosphine ortho‐Phosphinophenol.

Published in:

European Journal of Inorganic Chemistry, 2024, v. 27, n. 25, p. 1, doi. 10.1002/ejic.202400260

By:

Stone, Alexander M.;
Golden, Andrew R.;
Daniel, Shan M.;
Rheingold, Arnold L.;
Protasiewicz, John D.

Publication type:

Article

Anion‐Directed Conformation Switching and Trigonal Distortion in Hexakis(methylamine)nickel(II) Cations.

Published in:

European Journal of Inorganic Chemistry, 2022, v. 2022, n. 30, p. 1, doi. 10.1002/ejic.202200386

By:

Sugiarto;
Minato, Takuo;
Sakiyama, Hiroshi;
Sadakane, Masahiro

Publication type:

Article

Unusual Synthesis of Triosmium Carbene Clusters by Tandem Activation of Chlorohydrocarbons and Heterocyclic Amines.

Published in:

European Journal of Inorganic Chemistry, 2021, v. 2021, n. 10, p. 989, doi. 10.1002/ejic.202001071

By:

Savkov, Boris Y.;
Virovets, Alexander V.;
Peresypkina, Eugenia V.;
Potemkin, Vladimir A.;
Palko, Nadezhda N.;
Maksakov, Vladimir A.

Publication type:

Article

Theoretical studies on the structures, material properties, and IR spectra of polymorphs of 3,4-bis(1H-5-tetrazolyl)furoxan.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 2, p. 1, doi. 10.1007/s00894-018-3896-0

By:

Xi, Hong-Wei;
Mazian, Siti Zubaidah Binte Mohammad;
Chan, Hay Yee Serene;
Hng, Huey Hoon;
Goh, Ho Wee;
Lim, Kok Hwa

Publication type:

Article

Anomeric and rotameric preferences of glucopyranose in vacuo, water and organic solvents.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 9, p. 3637, doi. 10.1007/s00894-013-1902-0

By:

Karabulut, Sedat;
Leszczynski, Jerzy

Publication type:

Article

Atropisomerism about the C(1)-N single bond in N,N-disubstituted-1-aminoanthracenes: isolation of conformational diastereomers.

Published in:

Journal of Chemical Sciences, 2018, v. 130, n. 6, p. 1, doi. 10.1007/s12039-018-1473-9

By:

Khan, Ruhima;
Ningombam, Anjana;
Singh, Moirangthem Dhaneshwar

Publication type:

Article

Conformational behavior of tetrafluorohydrazine inside C60 fullerene.

Published in:

Iraqi National Journal Of Chemistry, 2018, v. 18, n. 1, p. 36

By:

Alnajjar, Radwan A.;
Dakhil, Otman O.;
Elgahni, Ahab L.

Publication type:

Article

A Quantum Chemical Study on Structures and Electronic (Hyper)polarizabilities of 2,2'-Biselenophene Rotamers.

Published in:

ISRN Physical Chemistry, 2013, p. 1, doi. 10.1155/2013/251635

By:

Alparone, Andrea

Publication type:

Article

Structure and Stability of Chemically Modified DNA Bases: Quantum Chemical Calculations on 16 Isomers of Diphosphocytosine.

Published in:

ISRN Physical Chemistry, 2013, p. 1, doi. 10.1155/2013/146401

By:

Al-Sehemi, Abdullah G.;
El-Gogary, Tarek M.;
Wolschann, Karl Peter;
Koehler, Gottfried

Publication type:

Article

Ultrafast excited‐state dynamics of gas‐phase 5‐methylcytosine tautomers.

Published in:

Journal of the Chinese Chemical Society, 2022, v. 69, n. 1, p. 107, doi. 10.1002/jccs.202100254

By:

Ho, Jr‐Wei;
Cheng, Po‐Yuan

Publication type:

Article