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Protein modifications by electrophilic lipoxidation products: adduct formation, chemical strategies and tandem mass spectrometry for their detection and identificationStability and aromaticity of nH(2)@B(12)N(12) (n=1-12) clustersWater Entrapped inside Fullerene Cages: A Potential Probe for Evaluation of Bond Polarization.Potency ranking of triterpenoids as inducers of a cytoprotective enzyme and as inhibitors of a cellular inflammatory response via their electron affinity and their electrophilicity index.Targeted radionuclide therapy with astatine-211: Oxidative dehalogenation of astatobenzoate conjugates.Molecular acidity: A quantitative conceptual density functional theory description.Hormone activity of hydroxylated polybrominated diphenyl ethers on human thyroid receptor-beta: in vitro and in silico investigations.Efficient biomass pretreatment using ionic liquids derived from lignin and hemicellulose.β-dicarbonyl enolates: a new class of neuroprotectants.Molecular reactivity dynamics in a confined environment.Solution reaction design: electroaccepting and electrodonating powers of ions in solution.Application of the Hard and Soft, Acids and Bases (HSAB) theory to toxicant--target interactions.Formation and signaling actions of electrophilic lipidsTheoretical Studies on Structures, Properties and Dominant Debromination Pathways for Selected Polybrominated Diphenyl Ethers.Synaptosomal toxicity and nucleophilic targets of 4-hydroxy-2-nonenalDetection of electrophile-sensitive proteins.Theoretical investigation of loratadine reactivity in order to understand its degradation properties: DFT and MD study.Molecular perspectives and recent advances in microbial remediation of persistent organic pollutants.The nucleophilicity of the oxygen functional groups on carbon materials: a DFT analysis.A computational and conceptual DFT study on the mechanism of hydrogen activation by novel frustrated Lewis pairs.Feasibility of novel (H3C)nX(SiH3)3-n compounds (X = B, Al, Ga, In): structure, stability, reactivity, and Raman characterization from ab initio calculations.Anthracene appended pyridinium amide-urea conjugate in selective fluorometric sensing of L-N-acetylvaline salt.On the electrophilic character of molecules through its relation with electronegativity and chemical hardness.Pushing the boundaries of intrinsically stable radicals: inverse design using the thiadiazinyl radical as a template.Understanding the antioxidant behavior of some vitamin molecules: a first-principles density functional approach.Halogen bonding from a hard and soft acids and bases perspective: investigation by using density functional theory reactivity indices.Fukui and dual-descriptor matrices within the framework of spin-polarized density functional theory.Deamination features of 5-hydroxymethylcytosine, a radical and enzymatic DNA oxidation product.Global and local chemical reactivities of mutagen X and simple derivatives.On the exponential model for energy with respect to number of electrons.Proteomic Analysis of Thiol Modifications and Assessment of Structural Changes in Hemoglobin Induced by the Aniline Metabolites N-Phenylhydroxylamine and Nitrosobenzene.Local hardness equalization and the principle of maximum hardness.A theoretical thermodynamic investigation of cascade reactions in dinuclear octa-azacryptates involving carbon dioxide.In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity.Modeling the physisorption of bisphenol A on graphene and graphene oxide.Donation and back-donation analyzed through a charge transfer model based on density functional theory.Statistical Significance of the Maximum Hardness Principle Applied to Some Selected Chemical Reactions.Global and local reactivity indexes applied to understand the chemistry of graphene oxide and doped graphene.Insights into the structure-activity relationships of chiral 1,2-diaminophenylalkane platinum(II) anticancer derivatives.On the intrinsic reactivity index for electrophilicity/nucleophilicity responses.
P2860
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P2860
description
im Juni 2006 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в червні 2006
@uk
name
Electrophilicity Index
@en
Electrophilicity Index
@nl
type
label
Electrophilicity Index
@en
Electrophilicity Index
@nl
prefLabel
Electrophilicity Index
@en
Electrophilicity Index
@nl
P2093
P356
P1433
P1476
Electrophilicity Index
@en
P2093
Debesh Ranjan Roy
Pratim Kumar Chattaraj
Utpal Sarkar
P304
P356
10.1021/CR040109F
P577
2006-06-01T00:00:00Z