Search Results - "Kotov, Stefan"
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A Mechanistic Approach to Modeling Respiratory Sensitization
Published in Chemical research in toxicology (17-02-2014)“…Chemical respiratory sensitization is an important occupational health problem which may lead to severely incapacitated human health, yet there are currently…”
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Investigating the Relationship between in Vitro–in Vivo Genotoxicity: Derivation of Mechanistic QSAR Models for in Vivo Liver Genotoxicity and in Vivo Bone Marrow Micronucleus Formation Which Encompass Metabolism
Published in Chemical research in toxicology (20-02-2012)“…Strategic testing as part of an integrated testing strategy (ITS) to maximize information and avoid the use of animals where possible is fast becoming the norm…”
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Integrated approach to testing and assessment for predicting rodent genotoxic carcinogenicity
Published in Journal of applied toxicology (01-12-2016)“…We investigated the performance of an integrated approach to testing and assessment (IATA), designed to cover different genotoxic mechanisms causing cancer and…”
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Epoxidation of alkenes in the presence of molybdenum–squarate complexes as novel catalysts
Published in Applied catalysis. A, General (18-03-2005)“…Several molybdenum-containing organic complexes based on 3,4-dihydroxy-3-cyclobutene-1,2-dione (squaric acid) have been synthesized and characterized by…”
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Preparation and use of novel molybdenum-containing organic complexes as catalysts in the epoxidation of cyclohexene
Published in Journal of molecular catalysis. A, Chemical (18-03-2003)“…Graphic Novel molybdenum-containing organic complexes based on 3,4-dihydroxy-3-cyclobutene-1,2-dione (“squaric acid”) and some organic amines have been…”
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Preparation and use of novel molybdenum-containing organic complexes as catalysts in the epoxidation of cyclohexene: II. Synthesis and applicability of molybdenum complexes based on squaric acid, 1-phenyl-1-ethanamine and 1,3-diamino-2-propanol
Published in Journal of molecular catalysis. A, Chemical (02-01-2004)“…Graphic Two novel molybdenum-containing organic complexes based on 3,4-dihydroxy-3-cyclobutene-1,2-dione (“squaric acid”), 1-phenyl-1-ethanamine and…”
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The Synthesis of Phosphonate Ester Containing Fluorinated Vinyl Ethers
Published in Journal of organic chemistry (15-11-1996)“…Three novel perfluorovinyl ethers containing phosphonate ester groups, diethyl 1,1,2,2,3,3,5,6,6-nonafluoro-4-oxa-5-hexenylphosphonate, (EtO)2P(O)(CF2)3OCFCF2…”
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A feasibility study: Can information collected to classify for mutagenicity be informative in predicting carcinogenicity?
Published in Regulatory toxicology and pharmacology (01-06-2015)“…•An in vitro–in vivo extrapolation workflow was adapted to mimic a mechanistic IATA.•Disconcordant outcomes could be mechanistically reasoned.•The IATA was…”
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Procedure for toxicological predictions based on mechanistic weight of evidences: Application to Ames mutagenicity
Published in Computational toxicology (01-11-2019)“…[Display omitted] •A workflow based on mechanistic QSAR, read-across and expert knowledge is proposed.•The workflow is applied to resolve conflicting Ames…”
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Use of Genotoxicity Information in the Development of Integrated Testing Strategies (ITS) for Skin Sensitization
Published in Chemical research in toxicology (18-10-2010)“…Skin sensitization is an end point of concern for various legislation in the EU, including the seventh Amendment to the Cosmetics Directive and Registration…”
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Selective synthesis of cyclododec-2-en-1-yl ethers via palladium-catalyzed allylic substitution reaction: a kinetic study
Published in Turkish journal of chemistry (2014)“…The palladium-catalyzed reaction between isomeric cyclododec-2-en-1-yl acetates and primary aliphatic alcohols was found to result in high yields of the…”
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MetaPath: An electronic knowledge base for collating, exchanging and analyzing case studies of xenobiotic metabolism
Published in Regulatory toxicology and pharmacology (01-06-2012)“…► MetaPath compiles metabolism paths and data for regulatory assessments and modeling purposes. ► MetaPath provides data analysis tools for all data fields…”
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Spectroscopic and structural elucidation of 3,4-diaminopyridine and its hydrogentartarate salt: Crystal structure of 3,4-diaminopyridinium hydrogentartarate dihydrate
Published in Journal of molecular structure (18-06-2008)“…The novel 3,4-diaminopyridinium hydrogentartarate dihydrate has been synthesized and its structure and properties elucidated in detail spectroscopically,…”
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Identification of the Structural Requirements for Mutagenicity by Incorporating Molecular Flexibility and Metabolic Activation of Chemicals I: TA100 Model
Published in Chemical research in toxicology (01-06-2004)“…Traditional attempts to model genotoxicity data have been limited to congeneric data sets, primarily because the mechanism of action was ignored, and…”
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Crystal structure and spectroscopic elucidation of 3-phenylpyridinium hydrogensquarate
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2010)“…The novel 3-phenylpyridinium hydrogensquarate (1) has been synthesized and its structure and properties are elucidated spectroscopically, thermally and…”
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Preparation and use of novel molybdenum-containing organic complexes as catalysts in the epoxidation of cyclohexene
Published in Journal of molecular catalysis. A, Chemical (01-01-2004)Get full text
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Crystal structure, optical and magnetic properties of the bis(perchlorate) of 3,4-diaminopyridine
Published in Structural chemistry (01-02-2008)“…3,4-diaminopyridinium bis(perchlorate) has been synthesized and its crystal structure has been solved by single crystal X-ray diffraction. The optical and…”
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Preparation of perfluorocarbon polymers containing phosphonic acid groups
Published in Journal of fluorine chemistry (01-04-1997)“…Several co- and ter-fluoropolymers based on tetrafluoroethylene (TFE) and perfluorovinylethers, such as CF 2=CFO(CF 2) 2P(O) (OC 2H 5) 2, CF 2=CFO(CF 2)…”
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