TAUTOMERS

作品数：9被引量：14H指数：2
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相关期刊：《Chinese Journal of Structural Chemistry》《合成化学》《Chinese Journal of Chemical Physics》《Chemical Research in Chinese Universities》更多>>
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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 
Theoretical Study by Density Functional Theory Method (DFT) of Stability, Tautomerism, Reactivity and Prediction of Acidity of Quinolein-4-One Derivatives
《Computational Chemistry》2018年第3期57-70,共14页Affoué Lucie Bédé Amon Benjamine Assoma Kicho Denis Yapo Mamadou Guy-Richard Koné Soleymane Koné Mawa Koné Boka Robert N’Guessan El-Hadji Sawaliho Bamba 
A theoretical study of the reactivity of quinoline-4-one derivatives is undertaken in order to understand the involved mechanisms. The calculations were carried out in gas phase and in N, N-Dimethylformamide (DMF) sol...
关键词：Quinolein-4-One TAUTOMERS Equilibrium Constants Global DESCRIPTORS Dual DESCRIPTORS 
Analysis of keto-enol tautomers of curcumin by liquid chromatography/mass spectrometry被引量：6
《Chinese Chemical Letters》2013年第8期685-687,共3页Shin-ichi Kawano Yusuke Inohana Yuki Hashi Jin-Ming Lin 
supported by the Research Fund for the Doctoral Program of Higher Education(No.20110002110052)
Keto-enol tautomers of curcumin were confirmed by reversed-phase liquid chromatography（RPLC）/ hybrid quadrupole ion trap/time-of-flight mass spectrometry（QIT/TOFMS）.Tautomers gave different MS/MS spectra in negati...
关键词：Keto-enol tautomer Curcumin Liquid chromatography/mass spectrometry 
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 
Theoretical Study on Reaction Mechanism of Tautomerization of Indazole and 3-halogeno-indazole被引量：6
《Chinese Journal of Chemical Physics》2006年第3期233-237,共5页Hai-yan Yu Bao-zong Li Yong-min Guo 
The molecular structures of indazole and 3-halogeno-indazole tautomers were calculated by the B3LYP method at the 6-311G^＊＊ level, both in the gaseous and aqueous phases, with full geometry optimization. The geometr...
关键词：3-halogeno-indazole TAUTOMERS Transition states Activation energy DFT 
Theoretical Study on Enol-keto Tautomerism of α-Fluorine-β-diketones
《Chinese Journal of Structural Chemistry》2006年第3期363-367,共5页王艳花 俞庆森 邹建卫 卢运祥 许惠英 
This project was supported by the Natural Science Foundation of China (No. 20502022) and the Ph.D. Fund of Ningbo (No. 2004A610010)
Density Functional Theory method is applied to investigate the enol-keto tautomerism of both acyclic and cyclic α-fluorine-β-diketones. It is shown that, for acyclic cases, α-fluorine could improve the relative sta...
关键词：density functional theory α-fluorine-β-diketones TAUTOMERS 
Interaction of Cisplatin Adducts with Guanine Tautomers： A Theoretical Study of Metalated Tautomeric Forms被引量：2
《Chinese Journal of Chemistry》2005年第10期1327-1332,共6页章志强 周立新 和芹 
Project supported by the Science Foundation of Jinan University （No. 639）.
The influence of binding of cisplatin adducts on tautomeric equilibrium of guanine was investigated using quantum chemical method. The monoaqua adduct [Pt（NH3）2Cl（H2O）]^＋ and the diaqua adduct [Pt（NHa）2（H2O）2...
关键词：CISPLATIN GUANINE TAUTOMER 
2D NMR Investigation of Dynamic Equilibrium of Tautomers of Gossypol
《合成化学》2004年第z1期140-140,共1页SHEN Ying-lin YANG Sheng-hua YAN Xiao-hua MA Xue-yi 
关键词：GOSSYPOL 1H NMR SPECTRA TAUTOMER Dynamic EQUILIBRIUM 
A Study on 4,4′-Diaminobenzene Sulfonanilide(DABSA) and the Properties of Dyes Derived from DABSA
《Chemical Research in Chinese Universities》2001年第1期77-87,共11页WU Zu-Wang 
A single crystal of 4,4′ diaminobenzene sulfonanilide(DABSA) was determined by X ray diffraction method. It is shown that the two benzene rings are non planar with an angle of 55 1°. Owing to the non planar con...
关键词：Diaminobenzene sulfonanilide Configuration X  ray diffraction Non  carcinogenic substituent for benzidine Substantivity of dye Azo  hydrazone tautomers 
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