Works matching DE "CONFORMATIONAL isomers"

Results: 142

Dual Charge‐Transfer Emission in Chalcone‐Based Donor‐π‐Acceptor System and the Modulation of Down‐Conversion of Triplet Exciton with the Polarity of the Medium.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 17, p. 1, doi. 10.1002/chem.202404317

By:

Singh, Piyush;
Pattanayak, Pradip;
Majumdar, Shubhangi;
Mukherjee, Soham;
Banerjee, Shrestha;
Purkayastha, Pradipta;
Kumar Chowdhury, Pramit;
Musser, Andrew J.;
Kumar Ghosh, Sujit

Publication type:

Article

Switching Photoluminescence Wavelength of Arylated Single‐walled Carbon Nanotubes by Utilizing Steric Hindrance in Reductive Arylation.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 13, p. 1, doi. 10.1002/chem.202404529

By:

Maeda, Yutaka;
Iguchi, Yui;
Zhao, Pei;
Suwa, Atsushi;
Taki, Yasunari;
Kawada, Kentaro;
Yamada, Michio;
Ehara, Masahiro;
Kako, Masahiro

Publication type:

Article

Seeing Double: The Persistent Dimer‐of‐Dimers Structure of Drug Resistant Influenza A M2.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 3, p. 1, doi. 10.1002/chem.202403129

By:

Stampolaki, Marianna;
Cherian Varkey, Abel;
Nimerovsky, Evgeny;
Leonov, Andrei;
Becker, Stefan;
Andreas, Loren B.

Publication type:

Article

Supramolecular Control of the Temperature Responsiveness of Fluorescent Macrocyclic Molecular Rotamers.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 29, p. 1, doi. 10.1002/chem.202400504

By:

Berry, Stuart N.;
Zou, Meijun;
Nguyen, Sarah L.;
Sajowitz, Aidan E.;
Qin, Lei;
Lewis, William;
Jolliffe, Katrina A.

Publication type:

Article

Conformations and Rearrangements of Collinolactone – Experiments and Theory on a Dynamic Cyclodecatriene.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 10, p. 1, doi. 10.1002/chem.202303435

By:

Decker, Rhena L.;
Schray, David;
Pfeffer, Heiko I.;
Grond, Stephanie;
Wagner, J. Philipp

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

Conformational Dependence of the First Hyperpolarizability of the Li@B 10 H 14 in Solution.

Published in:

Liquids (2673-8015), 2023, v. 3, n. 1, p. 159, doi. 10.3390/liquids3010012

By:

Brandão, Idney;
Fonseca, Tertius L.;
Georg, Herbert C.;
Castro, Marcos A.;
Pontes, Renato B.

Publication type:

Article

Charge Heterogeneity Characterization of an IgG4-Based mAb Using AEX Coupled to MS.

Published in:

LC-GC Europe, 2023, v. 36, n. 10, p. 425

By:

Rojahn, Ann Marie

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

Phosphorus–nitrogen compounds: part 75—design, synthesis, stereogenic and conformational properties of chiral dispiro(N/N)cyclotriphosphazenes: structural analysis and photophysical and bioactivity studies.

Published in:

Research on Chemical Intermediates, 2024, v. 50, n. 6, p. 2603, doi. 10.1007/s11164-024-05285-7

By:

Cemaloğlu, Reşit;
Asmafiliz, Nuran;
Kılıç, Zeynel;
Topaloğlu Aksoy, Burcu;
Sabah, Büşra Nur;
Açık, Leyla;
Hökelek, Tuncer

Publication type:

Article

A Study of the Conformers of the (Nonafluorobutanesulfonyl)imide Ion by Means of Infrared Spectroscopy and Density Functional Theory (DFT) Calculations.

Published in:

Challenges (20781547), 2017, v. 8, n. 1, p. 7, doi. 10.3390/challe8010007

By:

Palumbo, Oriele;
Trequattrini, Francesco;
Battista Appetecchi, Giovanni;
Paolone, Annalisa

Publication type:

Article

A Critical Note on Symmetry Contact Artifacts and the Evaluation of the Quality of Homology Models.

Published in:

Symmetry (20738994), 2018, v. 10, n. 1, p. 25, doi. 10.3390/sym10010025

By:

Singh, Dipali;
Berntsen, Karen R. M.;
Baakman, Coos;
Vriend, Gert;
Lahiri, Tapobrata

Publication type:

Article

Conformational isomers of dichloro bis(1,3-diaminopropane) copper(II): Synthesis, characterization and DFT modeling.

Published in:

Arabian Journal of Chemistry, 2017, v. 10, p. S1435, doi. 10.1016/j.arabjc.2013.04.020

By:

Yadav, Seema;
Moheman, A.;
Kumar, Abhinav;
Prasad, Rajendra;
Siddiqi, K.S.

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

Molecular dynamics-derived rotamer libraries for d-amino acids within homochiral and heterochiral polypeptides.

Published in:

PEDS: Protein Engineering, Design & Selection, 2018, v. 31, n. 6, p. 191, doi. 10.1093/protein/gzy016

By:

Childers, Matthew Carter;
Towse, Clare-Louise;
Daggett, Valerie

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

Significance of infrared spectroscopic branching factor for investigation of structural characteristics of alkanes, geochemical properties and viscosity of oils.

Published in:

Journal of the Serbian Chemical Society, 2022, v. 87, n. 1, p. 41, doi. 10.2298/JSC210830091S

By:

STEVANOVIĆ, JELENA Z.;
RAKITIN, ANTON R.;
KOJIĆ, IVAN D.;
VUKOVIĆ, NIKOLA S.;
STOJANOVIĆ, KSENIJA A.

Publication type:

Article

A three dimensional visualisation approach to protein heavy-atom structure reconstruction.

Published in:

BMC Structural Biology, 2014, v. 14, p. 1, doi. 10.1186/s12900-014-0027-8

By:

Xubiao Peng;
Chenani, Alireza;
Shuangwei Hu;
Yifan Zhou;
Niemi, Antti J.

Publication type:

Article

Synthesis and Characterization of New Helical Coumarins.

Published in:

2015

By:

Talele, Harish R.;
Hussain, Firasat;
Bedekar, Ashutosh V.

Publication type:

Other

Gas-Phase Structure of 3,7,9-tris(trifluoromethylsulfonyl)-3,7,9-triazabicyclo[3.3.1]nonane by GED and Theoretical Calculations.

Published in:

Molecules, 2023, v. 28, n. 9, p. 3933, doi. 10.3390/molecules28093933

By:

Shainyan, Bagrat A.;
Eroshin, Alexey V.;
Mukhina, Valeriya A.;
Shlykov, Sergey A.

Publication type:

Article

Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles.

Published in:

Molecules, 2023, v. 28, n. 3, p. 1144, doi. 10.3390/molecules28031144

By:

Menke, Alexander J.;
Henderson, Nicholas C.;
Kouretas, Lola C.;
Estenson, Anne N.;
Janesko, Benjamin G.;
Simanek, Eric E.

Publication type:

Article

The Conformations of Isolated Gallic Acid: A Laser-Ablation Rotational Study.

Published in:

Molecules, 2023, v. 28, n. 1, p. 159, doi. 10.3390/molecules28010159

By:

Verde, Andrés;
Blanco, Susana;
López, Juan Carlos

Publication type:

Article

Indane Based Molecular Motors: UV-Switching Increases Number of Isomers.

Published in:

Molecules, 2022, v. 27, n. 19, p. 6716, doi. 10.3390/molecules27196716

By:

Shendrikov, Valeriy P.;
Alekseeva, Anna S.;
Kot, Erik F.;
Mineev, Konstantin S.;
Tretiakova, Daria S.;
Ece, Abdulilah;
Boldyrev, Ivan A.

Publication type:

Article

Addition of Vindoline to p -Benzoquinone: Regiochemistry, Stereochemistry and Symmetry Considerations.

Published in:

Molecules, 2021, v. 26, n. 21, p. 6395, doi. 10.3390/molecules26216395

By:

Ali, Shamsher;
Hénon, Eric;
Leroy, Ritchy;
Massiot, Georges

Publication type:

Article

Structure, Z′ = 2 Crystal Packing Features of 3-(2-Chlorobenzylidene)-5-(p -tolyl)furan-2(3 H)-one.

Published in:

Molecules, 2021, v. 26, n. 8, p. 2137, doi. 10.3390/molecules26082137

By:

Grinev, Vyacheslav S.;
Mayorova, Oksana A.;
Anis'kova, Tatyana V.;
Tikhomolova, Alexandra S.;
Yegorova, Alevtina Yu.

Publication type:

Article

7-epi-Clusianone, a Multi-Targeting Natural Product with Potential Chemotherapeutic, Immune-Modulating, and Anti-Angiogenic Properties.

Published in:

Molecules, 2019, v. 24, n. 23, p. 4415, doi. 10.3390/molecules24234415

By:

Taylor, Wesley F.;
Yanez, Maria;
Moghadam, Sara E.;
Moridi Farimani, Mahdi;
Soroury, Sara;
Ebrahimi, Samad N.;
Tabefam, Marzieh;
Jabbarzadeh, Ehsan

Publication type:

Article

An Algorithm for Computing Side Chain Conformational Variations of a Protein Tunnel/Channel.

Published in:

Molecules, 2018, v. 23, n. 10, p. 2459, doi. 10.3390/molecules23102459

By:

Seo, Udeok;
Kim, Ku-Jin;
Kang, Beom Sik

Publication type:

Article

Investigating ( R)-3-Methylcyclopentanone Conformers Using Temperature-Dependent Raman Spectroscopy.

Published in:

Journal of Applied Spectroscopy, 2014, v. 81, n. 2, p. 328, doi. 10.1007/s10812-014-9932-7

By:

Al-Basheer, W.

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

Polarity and structure of P(X)-modified (X = O, S) arylcarbamoylmethylphosphine oxides and sulfides.

Published in:

Russian Journal of Organic Chemistry, 2016, v. 52, n. 10, p. 1413, doi. 10.1134/S1070428016100079

By:

Vereshchagina, Ya.;
Khanafieva, R.;
Chachkov, D.;
Artyushin, O.;
Sharova, E.;
Ishmaeva, E.

Publication type:

Article

Synthesis of (4-arylpyrrolidin-2-ylidene) derivatives of cyclic β-dicarbonyl compounds from cinnamoyl precursors.

Published in:

Russian Journal of Organic Chemistry, 2014, v. 50, n. 11, p. 1598, doi. 10.1134/S1070428014110116

By:

Pashkovskii, F.;
Dontsu, Yu.;
Rubinov, D.;
Lakhvich, F.;
Traven', V.;
Borunov, A.

Publication type:

Article

Conformational behavior of methanethiol in fullerenes.

Published in:

Russian Journal of Organic Chemistry, 2014, v. 50, n. 7, p. 1073, doi. 10.1134/S107042801407029X

By:

Kuznetsov, V.

Publication type:

Article

Fast kinetics of environmentally induced α-synuclein aggregation mediated by structural alteration in NAC region and result in structure dependent cytotoxicity.

Published in:

Scientific Reports, 2020, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41598-020-75361-6

By:

Srivastava, Tulika;
Raj, Ritu;
Dubey, Amit;
Kumar, Dinesh;
Chaturvedi, Rajnish K.;
Sharma, Sandeep K.;
Priya, Smriti

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

Study of intramolecular interactions in aspirin.

Published in:

Journal of the Chinese Chemical Society, 2019, v. 66, n. 12, p. 1583, doi. 10.1002/jccs.201900055

By:

Cotes, Sandra;
Cotuá, Jose

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

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

Conformational States of the Spiropyran Molecule.

Published in:

International Journal of Photoenergy, 2015, v. 2015, p. 1, doi. 10.1155/2015/161248

By:

Kovalenko, Olha;
Kondratenko, Petro;
Lopatkin, Yuriy

Publication type:

Article

mPW1PW91-Calculated Structures, IR Spectra, and Frontier Orbitals of Benzoylmethoxythiacalix[4]arene Complexed with Alkali Metal Ions.

Published in:

Bulletin of the Korean Chemical Society, 2015, v. 36, n. 1, p. 24, doi. 10.1002/bkcs.10003

By:

Ham, Seung Wook;
Choe, Jong-In

Publication type:

Article

Computational Studies on the Rotamers of 4-Aryl-2-Oxo-1,2,3,4-Tetrahydropyrimidines and 4-Aryl-2-Oxo-1,2-Dihydropyrimidines.

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 3, p. 377, doi. 10.1134/S0022476619030053

By:

Memarian, H. R.;
Amini, S.

Publication type:

Article

NMR studies of rotamers with multi-substituted amides.

Published in:

Journal of Engineering Sciences & Innovation (JESI), 2021, v. 6, n. 4, p. 373

By:

JIA-XIANG ZHANG;
LEI-YANG ZHANG;
NAI-XING WANG;
YUE-HUA WU;
ZHAN YAN;
LUCAN, DUMITRA

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

Guest-induced structural transformation of single-crystal 3D covalent organic framework at room and high temperatures.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-56750-9

By:

Yao, Aiping;
Xu, Hongliang;
Shao, Kuizhan;
Sun, Chunyi;
Qin, Chao;
Wang, Xinlong;
Su, Zhongmin

Publication type:

Article

TPE-embedded butterfly bis-crown ether with controllable conformation and supramolecular chiroptical property.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-51607-z

By:

Tian, Xueqi;
Zuo, Minzan;
Shen, Yuhong;
Mao, Ni;
Wang, Kaiya;
Sheng, Yanshan;
Velmurugan, Krishnasamy;
Jiao, Jianmin;
Hu, Xiao-Yu

Publication type:

Article

Inverse mapping of quantum properties to structures for chemical space of small organic molecules.

Published in:

Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-50401-1

By:

Fallani, Alessio;
Medrano Sandonas, Leonardo;
Tkatchenko, Alexandre

Publication type:

Article

Mechanistic study of the formation of a phosphonate ester containing 2-fluoroaniline: theoretical assignment of the resulting isomer.

Published in:

Progress in Reaction Kinetics & Mechanism, 2013, v. 38, n. 3, p. 221, doi. 10.3184/146867813X13708865885287

By:

Habibi-Khorassani, Sayyed Mostafa;
Maghsoodluo, Malek Taher;
Ebrahimi, Ali;
Ghalandarzehi, Yunes;
Ghodsi, Fatemeh;
Asheri, Osman

Publication type:

Article

Conformational and FTIR analyses of 2,3-dimethoxyphenylboronic acid.

Published in:

Pamukkale University Journal of Engineering Sciences, 2019, v. 25, n. 7, p. 899, doi. 10.5505/pajes.2018.70431

By:

BİLGE, Duygu

Publication type:

Article

Cocrystallising Rotamers of a Pentacoordinate Silicon Complex with a Chiral Aminodiol Ligand.

Published in:

European Journal of Inorganic Chemistry, 2013, v. 2013, n. 9, p. 1488, doi. 10.1002/ejic.201201173

By:

Schlecht, Sebastian;
Finze, Maik;
Bertermann, Rüdiger;
Frank, Walter;
Domann, Anke;
Braun, Manfred

Publication type:

Article