云南高校图书馆联盟文献共享服务平台- TAUTOMER

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Room-temperature polarization and spin switching via electron transfer in a valence tautomer: 《Science China Chemistry》2025年第3期961-966,共6页Zhen Liu Xiao-Yi Zhang Zhi-Rui Li Han Xu Hai-Xia Zhao La-Sheng Long Lan-Sun Zheng; supported by the National Natural Science Foundation of China (2371235,92061107,92161203)。; Achieving simultaneous polarization and spin switching at room temperature is essential for advanced multi-state storage and control applications,particularly in magnetoelectrics and electron spintronics,yet such mate...; 关键词：electron transfer polarization switching spin switching valence tautomer

Mapping out the reaction network of humin formation at the initial stage of fructose dehydration in water: 《Green Energy & Environment》2024年第6期1016-1026,共11页Xing Fu Yexin Hu Ping Hu Hui Li Shuguang Xu Liangfang Zhu Changwei Hu; the National Natural Science Foundation of China(No.21875149);111 project(B17030);the Basal Research Fund of the Central University.; The formation of humins hampers the large-scale production of 5-hydroxymethylfurfural(HMF)in biorefinery.Here,a detailed reaction network of humin formation at the initial stage of fructose-to-HMF dehydration in water...; 关键词：Carbohydrates 5-HYDROXYMETHYLFURFURAL Reaction network Soluble humins TAUTOMER

Selective conformer detection of short-lived base pair tautomers: A computational study of the unusual guanine-cytosine pairs using ultrafast resonance Raman spectroscopy: 《Chinese Chemical Letters》2023年第10期252-258,共7页Baoling Tian Yizhou Fang Shulai Lei Ke Xu Chaozheng He Shujuan Li Hao Ren; the financial support from the National Key Research and Development Program of China(No.2019YFA0708703);the National Natural Science Foundation of China(NSFC,No.21773309);the High-level Science Foundation of Qingdao Agricultural University(No.663/1114351);the Hefei National Laboratory for Physical Sciences at the Microscale(No.KF2020004);Xiangyang Science and Technology Research and Development(No.2020YL09);Hubei University of Arts and Science(Nos.HLOM222003,2020kypytd002)。; Base pair mismatch has been regarded as the main source of DNA point mutations, where minor shortlived tautomers were usually involved. However, the detection and characterization of these unnatural species pose chall...; 关键词：Guanine-cytosine pair Hydrogen bonding TAUTOMER Resonance Raman Vibronic coupling

The Role of Solvent in Tautomer Solvate Crystallization: A Case of 6-Amino-1,3-Dimethyl-5-Nitrosouracil: 《Transactions of Tianjin University》2020年第6期458-469,共12页Luguang Qi Yanhui Jin Huina Li Yanpeng Dong Chuang Xie; The authors thank the fi nancial support from the National Natural Science Foundation of China(No.21776204).; Tautomers are structural isomers that readily interconvert and may exhibit diff erent properties.The eff ect of solvent on tautomeric equilibria in solution has been a subject of some research.Tautomer solvate is less...; 关键词：TAUTOMERIZATION SOLVATE Molecular dynamics simulation Quantum chemical calculation

Solid and liquid state characterization of tetrahydrocurcumin using XRPD, FT-IR, DSC, TGA, LC-MS, GC-MS, and NMR and its biological activities被引量：1: 《Journal of Pharmaceutical Analysis》2020年第4期334-345,共12页Mahendra Kumar Trivedi Parthasarathi Panda Kalyan Kumar Sethi Mayank Gangwar Sambhu Charan Mondal Snehasis Jana; Dabur Research Foundation,New Delhi,India; Tetrahydrocurcumin(THC)is one of the major metabolites of curcumin(CUR),an ancient bioactive natural polyphenolic compound.This research article describes both the solid and liquid state characterization of THC using ...; 关键词：TETRAHYDROCURCUMIN Liquid chromatography-mass spectrometry Spectroscopic and thermal analysis Keto-enol tautomer ANTI-INFLAMMATORY Antioxidant

Effect of magnesium on FOX-7 and its tautomers-A DFT treatment: 《Defence Technology（防务技术）》2018年第3期179-187,共9页Lemi Türker; FOX-7 and its cisoid and transoid 1,5-tautomers as well as magnesium composites of all have been investigated quantum chemically within the restrictions of density functional theory(B3 LYP/6 e311ttG(d,p)). Certain phy...; 关键词：FOX-7 镁原子 DFT 物理化学药品性质稳定性成分外力

Computational Studies on the Ground State Tautomer,Hydrogen Conformations and Vibrational Spectroscopic Analysis of Antitumor Agents:3-Deazauracil and 6-Azauracil被引量：1: 《光谱学与光谱分析》2018年第4期1276-1282,共7页Cagri Cirak Nurettin Korozlu Yusuf Sert Fatih Ucun; supported by Research Fund of the Erzincan University(Project no:FEN-A-150615-0149); The ground state hydrogen conformations and vibrational analysis of 3-deazauracil(3DAU)and 6-azauracil(6AU)tautomers(4-enol and 2,4-diol forms)have been calculated using ab initio Hartree-Fock(HF)and density functiona...; 关键词：3-Deazauracil 6-Azauracil TAUTOMERISM Conformation VIBRATIONAL spectra

A new method for the synthesis of 3-hydroxymethylbenzofuran: 《Chinese Chemical Letters》2013年第12期1115-1117,共3页Huan Luo Yan-Fei Liu Chun-Lei Zhang Yan Wang Gang Ni De-Quan Yu; supported by the National Mega-Project for Innovative Drugs (No. 2012zx09301002-002);State Key Laboratory of Bioactive Substance and Function of Natural Medicines; A new one-step synthesis of 3-hydroxymethylbenzofuran, based on intramolecular cyclization of 2- （methoxymethyl）-2-（2＇-methoxymethyl-4＇-methylphenyl）-butanone I under diluted hydrochloric acid in THF, was develo...; 关键词：3-Hydroxymethylbenzo furan derivatives Mechanism Tautomer

Ab initio Study on Ionization Energies of 1-Methyl-hypoxanthine: 《Chinese Journal of Chemical Physics》2012年第5期540-544,I0003,共6页Ke-dong Wang Da-peng Yang Yu-fang Liu; Six low-lying tautomers of 1-methyl-hypoxanthine have been studied at the B3LYP/aug-cc- pVDZ level. Two tautomers NTH and N9H with the comparable energies are far more stable than the others. The vertical ionization e...; 关键词：TAUTOMER Ionization energy Relative energy Photoelectron spectrum

Theoretical Study of the Intramolecular Proton Transfer in the Tautomers of Cytosine Assisted by Water: 《Chinese Journal of Chemistry》2011年第11期2243-2248,共6页郑海涛赵东霞杨忠志; Project supported by the National Natural Science Foundation of China （Nos. 21133005, 20873055, 21073080, 21011120087） and Education Bureau of Liaoning Province （No. 2009T057）.; Ab initio MP2 and DFT studies on the tautomers of cytosine and the related hydrated tautomers have been carried out. The ground-state structures of four tautomers of cytosine and related transition states were fully o...; 关键词：TAUTOMER CYTOSINE proton transfer water influence solvent effects

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