Arsenic toxicity: an atom counting and electrophilicity-based protocol

被引:0
|
作者
Debesh R. Roy
Santanab Giri
Pratim K. Chattaraj
机构
[1] Indian Institute of Technology,Department of Chemistry and Centre for Theoretical Studies
来源
Molecular Diversity | 2009年 / 13卷
关键词
Arsenic toxicity; DFT; Electrophilicity; Number of atoms; QSTR;
D O I
暂无
中图分类号
学科分类号
摘要
The atomic number (Z) and electrophilicity index (ω) have been utilized to explain the toxicity of various alkali and transition-metal ions as well as to predict that of the arsenic ions. The toxicity of two different training sets of arsenic derivatives is described using the global electrophilicity (ω) and number of nonhydrogenic atoms (NNH) along with the local philicity \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${(\omega _{\rm As}^+)}$$\end{document} and the atomic charge (QAs) on the arsenic atom. Applying the regression models from the training sets, toxicity of some unknown arsenic derivatives is predicted.
引用
收藏
页码:551 / 556
页数:5
相关论文
共 50 条
  • [21] Developing a method to determine linewidth based on counting the atom-spacings across a line
    Silver, RM
    Jensen, CP
    Tsai, V
    Fu, J
    Villarrubia, J
    Teague, EC
    METROLOGY, INSPECTION, AND PROCESS CONTROL FOR MICROLITHOGRAPHY XII, 1998, 3332 : 441 - 460
  • [22] MAGIC NUMBERS IN ATOM AND ELECTRON COUNTING OF SUPRACLUSTERS BASED ON VERTEX-SHARING ICOSAHEDRA
    TEO, BK
    ZHANG, H
    INORGANIC CHEMISTRY, 1988, 27 (02) : 414 - 417
  • [23] PROTOCOL BASED ON GAS CHROMATOGRAPHY-FLOW COUNTING FOR MONITORING INTERMEDIARY METABOLISM
    SLAYBACK, JRB
    CAMPBELL, IM
    FARISH, E
    ANALYTICAL BIOCHEMISTRY, 1975, 69 (01) : 140 - 154
  • [24] A TREOSULPHAN BASED REDUCED TOXICITY CONDITIONING PROTOCOL FOR THALASSAEMIA MAJOR
    Raj, R.
    Munirathnam, D.
    Khandelwal, V.
    Sri, K.
    Bhushan, V.
    Kumar, M.
    Lakshmanan, V
    BIOLOGY OF BLOOD AND MARROW TRANSPLANTATION, 2012, 18 (02) : S300 - S301
  • [25] A study of cellular counting to determine minimum thresholds for adequacy for liquid-based cervical cytology using a survey and counting protocol
    Kitchener, Henry C.
    Gittins, Matthew
    Desai, Mina
    Smith, John H. F.
    Cook, Gary
    Roberts, Chris
    Turnbull, Lesley
    HEALTH TECHNOLOGY ASSESSMENT, 2015, 19 (22) : 1 - 88
  • [26] A high-selenium lentil dietary intervention in Bangladesh to counteract arsenic toxicity: study protocol for a randomized controlled trial
    Krohn, Regina M.
    Raqib, Rubhana
    Akhtar, Evana
    Vandenberg, Albert
    Smits, Judit E. G.
    TRIALS, 2016, 17
  • [27] A high-selenium lentil dietary intervention in Bangladesh to counteract arsenic toxicity: study protocol for a randomized controlled trial
    Regina M. Krohn
    Rubhana Raqib
    Evana Akhtar
    Albert Vandenberg
    Judit E. G. Smits
    Trials, 17
  • [28] Acute aquatic toxicity of arsenic-based chemical warfare agents to Daphnia magna
    Czub, Michal
    Nawala, Jakub
    Popiel, Stanislaw
    Brzezinski, Tomasz
    Maszczyk, Piotr
    Sanderson, Hans
    Maser, Edmund
    Gordon, Diana
    Dziedzic, Daniel
    Dawidziuk, Barbara
    Pijanowska, Joanna
    Fabisiak, Jacek
    Szubska, Marta
    Lang, Thomas
    Vanninen, Paula
    Niemikoski, Hanna
    Missiaen, Tine
    Lehtonen, Kari K.
    Beldowski, Jacek
    Kotwicki, Lech
    AQUATIC TOXICOLOGY, 2021, 230
  • [29] A dose-based Modeling approach for accumulation and toxicity of arsenic in tilapia Oreochromis mossambicus
    Tsai, JW
    Liao, CM
    ENVIRONMENTAL TOXICOLOGY, 2006, 21 (01) : 8 - 21
  • [30] The discovery of combined toxicity effects and mechanisms of hexaconazole and arsenic to mice based on untargeted metabolomics
    Sun, Dali
    Yang, Na
    Zhang, Qinghai
    Wang, Zelan
    Luo, Guofei
    Pang, Junxiao
    ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2021, 226