Theoretical Study on Hydrogen Interaction between 5-Fluorouracil and Glycine

被引：0
|
作者：
和芹 [1 ]
霍爱新 [1 ]
孟祥军 [1 ]
杨静 [1 ]
机构：
[1] Department of Chemistry,Tangshan Normal College
来源：
Chinese Journal of Structural Chemistry | 2010年 / 29卷 / 05期
关键词：
B3LYP; hydrogen bond; 5-fluorouracil; glycine; electronic density topology analysis;
D O I：
10.14102/j.cnki.0254-5861.2010.05.016
中图分类号：
O621.2 [有机化合物性质];
学科分类号：
070303 ; 081704 ;
摘要：
The geometries,electronic structure,IR spectrum and other properties of hydrogen interaction between 5-fluorouracil and glycine were studied at the B3LYP/6-31+G* level.Single point energy calculations were executed at the B3LYP/6-311++G** and B3LYP/aug-cc-pvdz levels,and natural bond orbital (NBO) analysis was carried out at the B3LYP/6-31+G* level.Finally,the hydrogen bonds were discussed via AIM electronic density topology analysis.
引用
下载
收藏
页码：738 / 746
页数：9
相关论文
共 50 条
  • [41] 5-FLUOROURACIL
    FERGUSON, D
    HUMPHREY, E
    CANCER CHEMOTHERAPY REPORTS, 1960, (08): : 153 - 154
  • [42] Mass spectrometry in the study of molecular complexes between 5-fluorouracil and catechins
    Moracci, Laura
    Crotti, Sara
    Traldi, Pietro
    Agostini, Marco
    JOURNAL OF MASS SPECTROMETRY, 2021, 56 (01):
  • [43] GENERAL METHOD FOR SYNTHESIS OF 5-FLUOROURACIL AND 5-FLUOROURACIL DERIVATIVES
    SCHUMAN, PD
    WESTMORE.G
    ANDERSON, R
    WARNER, D
    TARRANT, P
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1971, (NSEP): : 20 - &
  • [44] PHARMACOKINETIC RATIONALE FOR THE INTERACTION OF 5-FLUOROURACIL AND MISONIDAZOLE IN HUMANS
    MCDERMOTT, BJ
    VANDENBERG, HW
    MARTIN, WMC
    MURPHY, RF
    BRITISH JOURNAL OF CANCER, 1983, 48 (05) : 705 - 710
  • [45] Interaction of 5-fluorouracil with β-cyclodextrin: A density functional theory study with dispersion correction
    Buczek, Aneta
    Stas, Monika
    Hebenstreit, Christian
    Maller, Corina
    Broda, Malgorzata A.
    Kupka, Teobald
    Kelterer, Anne-Marie
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2021, 121 (05)
  • [46] Quantum chemical investigation on interaction of 5-fluorouracil with cucurbiturils
    Kye-Ryong Sin
    Sun-Gyong Ko
    Chol-Jin Kim
    Sung-Hui Pak
    Hyon-Chol Kim
    Chol-Ung Kim
    Monatshefte für Chemie - Chemical Monthly, 2020, 151 : 721 - 727
  • [47] MECHANISMS OF INTERACTION OF INTERFERON AND 5-FLUOROURACIL IN SOLID TUMORS
    NEEFE, JR
    JOHN, W
    SEMINARS IN ONCOLOGY, 1991, 18 (05) : 77 - 82
  • [48] POSSIBLE INTERACTIONS BETWEEN WARFARIN AND 5-FLUOROURACIL
    WAJIMA, T
    MUKHOPADHYAY, P
    AMERICAN JOURNAL OF HEMATOLOGY, 1992, 40 (03) : 238 - 238
  • [49] The interaction of 5-fluorouracil with deoxyribonucleic acid and serum albumin
    Lu, JX
    Zhang, GZ
    Wang, YM
    CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2001, 29 (02) : 192 - 194
  • [50] Quantum chemical investigation on interaction of 5-fluorouracil with cucurbiturils
    Sin, Kye-Ryong
    Ko, Sun-Gyong
    Kim, Chol-Jin
    Pak, Sung-Hui
    Kim, Hyon-Chol
    Kim, Chol-Ung
    MONATSHEFTE FUR CHEMIE, 2020, 151 (05): : 721 - 727
12345