The Experts below are selected from a list of 12585 Experts worldwide ranked by ideXlab platform
Svetlana Batyrbekova - One of the best experts on this subject based on the ideXlab platform.
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a qsar qstr study on the human health impact of the rocket fuel 1 1 dimethyl hydrazine and its transformation products multicriteria hazard ranking based on partial order methodologies
Environmental Toxicology and Pharmacology, 2009Co-Authors: Lars Carlsen, Bulat Kenessov, Svetlana BatyrbekovaAbstract:The possible impact of the rocket fuel 1,1-dimethyl hydrazine (heptyl) (1) and its transformation products on human health has been studied using (Quantitative) Structure Activity/Toxicity ((Q)SAR/(Q)STR) modelling, including both ADME models and models for acute toxicity, organ specific adverse haematological effects, the cardiovascular and gastrointestinal systems, the kidneys, the liver and the lungs, as well as a model predicting the biological activity of the compounds. It was predicted that all compounds studied are readily bioavailable through oral intake and that significant amounts of the compounds will be freely available in the systemic circulation. In general, the compounds are not predicted to be acutely toxic apart from hydrogen cyanide, whereas several compounds are predicted to cause adverse organ specific human health effects. Further, several compounds are predicted to exhibit high probabilities for potential carcinogenicity, mutagenicity, teratogenicity and/or embryotoxicity. The compounds were ranked based on their predicted human health impact using partial order ranking methodologies that highlight which compounds on a cumulative basis should receive the major attention, i.e., N-nitroso dimethyl amine, 1,1,4,4-tetramethyl tetrazene, trimethyl, trimethyl hydrazine, acetaldehyde dimethyl Hydrazone, 1, 1-formyl 2,2-dimethyl hydrazine and formaldehyde dimethyl Hydrazone, respectively.
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a qsar qstr study on the environmental health impact by the rocket fuel 1 1 dimethyl hydrazine and its transformation products
Environmental health insights, 2008Co-Authors: Lars Carlsen, Bulat Kenessov, Svetlana BatyrbekovaAbstract:QSAR/QSTR modelling constitutes an attractive approach to preliminary assessment of the impact on environmental health by a primary pollutant and the suite of transformation products that may be persistent in and toxic to the environment. The present paper studies the impact on environmental health by residuals of the rocket fuel 1,1-dimethyl hydrazine (heptyl) and its transformation products. The transformation products, comprising a variety of nitrogen containing compounds are suggested all to possess a significant migration potential. In all cases the compounds were found being rapidly biodegradable. However, unexpected low microbial activity may cause significant changes. None of the studied compounds appear to be bioaccumulating. Apart from substances with an intact hydrazine structure or Hydrazone structure the transformation products in general display rather low environmental toxicities. Thus, it is concluded that apparently further attention should be given to tri- and tetramethyl hydrazine and 1-formyl 2,2-dimethyl hydrazine as well as to the Hydrazones of formaldehyde and acetaldehyde as these five compounds may contribute to the overall environmental toxicity of residual rocket fuel and its transformation products.
Lars Carlsen - One of the best experts on this subject based on the ideXlab platform.
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a qsar qstr study on the human health impact of the rocket fuel 1 1 dimethyl hydrazine and its transformation products multicriteria hazard ranking based on partial order methodologies
Environmental Toxicology and Pharmacology, 2009Co-Authors: Lars Carlsen, Bulat Kenessov, Svetlana BatyrbekovaAbstract:The possible impact of the rocket fuel 1,1-dimethyl hydrazine (heptyl) (1) and its transformation products on human health has been studied using (Quantitative) Structure Activity/Toxicity ((Q)SAR/(Q)STR) modelling, including both ADME models and models for acute toxicity, organ specific adverse haematological effects, the cardiovascular and gastrointestinal systems, the kidneys, the liver and the lungs, as well as a model predicting the biological activity of the compounds. It was predicted that all compounds studied are readily bioavailable through oral intake and that significant amounts of the compounds will be freely available in the systemic circulation. In general, the compounds are not predicted to be acutely toxic apart from hydrogen cyanide, whereas several compounds are predicted to cause adverse organ specific human health effects. Further, several compounds are predicted to exhibit high probabilities for potential carcinogenicity, mutagenicity, teratogenicity and/or embryotoxicity. The compounds were ranked based on their predicted human health impact using partial order ranking methodologies that highlight which compounds on a cumulative basis should receive the major attention, i.e., N-nitroso dimethyl amine, 1,1,4,4-tetramethyl tetrazene, trimethyl, trimethyl hydrazine, acetaldehyde dimethyl Hydrazone, 1, 1-formyl 2,2-dimethyl hydrazine and formaldehyde dimethyl Hydrazone, respectively.
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a qsar qstr study on the environmental health impact by the rocket fuel 1 1 dimethyl hydrazine and its transformation products
Environmental health insights, 2008Co-Authors: Lars Carlsen, Bulat Kenessov, Svetlana BatyrbekovaAbstract:QSAR/QSTR modelling constitutes an attractive approach to preliminary assessment of the impact on environmental health by a primary pollutant and the suite of transformation products that may be persistent in and toxic to the environment. The present paper studies the impact on environmental health by residuals of the rocket fuel 1,1-dimethyl hydrazine (heptyl) and its transformation products. The transformation products, comprising a variety of nitrogen containing compounds are suggested all to possess a significant migration potential. In all cases the compounds were found being rapidly biodegradable. However, unexpected low microbial activity may cause significant changes. None of the studied compounds appear to be bioaccumulating. Apart from substances with an intact hydrazine structure or Hydrazone structure the transformation products in general display rather low environmental toxicities. Thus, it is concluded that apparently further attention should be given to tri- and tetramethyl hydrazine and 1-formyl 2,2-dimethyl hydrazine as well as to the Hydrazones of formaldehyde and acetaldehyde as these five compounds may contribute to the overall environmental toxicity of residual rocket fuel and its transformation products.
V A Sharnin - One of the best experts on this subject based on the ideXlab platform.
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spatial structure thermodynamics and kinetics of formation of Hydrazones derived from pyridoxal 5 phosphate and 2 furoic thiophene 2 carboxylic hydrazides in solution
Journal of Molecular Liquids, 2019Co-Authors: G A Gamov, Ilya A Khodov, K V Belov, M N Zavalishin, A N Kiselev, Tatiana Usacheva, V A SharninAbstract:Abstract The spatial structure of pyridoxal 5′-phosphate Hydrazones of 2-furoic hydrazide; thiophene-2-carboxylic hydrazide in aqueous solution was studied by means of quantum chemical calculations and NOE experiment. The Hydrazones could exist as a mixture of different conformers; however, the specific ones could be suggested from experimental and calculated data. The stability constants of Hydrazones at pH of 1.9; 6.6; 7.0; 7.4 were determined using UV–Vis spectroscopy. Rate constants of the Hydrazone formation and hydrolysis reaction within the range of 6.6–7.4 pH were obtained. Isothermal calorimetric titration was performed in order to determine the change in the free Gibbs energy, enthalpy and entropy of Hydrazones formation at pH of 6.6. Hydrazones were synthesized and characterized by means of 1H, 13C, 31P NMR, IR, UV–Vis, fluorescent, MS-spectroscopy as well as DSC and elemental analysis.
K V Belov - One of the best experts on this subject based on the ideXlab platform.
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spatial structure thermodynamics and kinetics of formation of Hydrazones derived from pyridoxal 5 phosphate and 2 furoic thiophene 2 carboxylic hydrazides in solution
Journal of Molecular Liquids, 2019Co-Authors: G A Gamov, Ilya A Khodov, K V Belov, M N Zavalishin, A N Kiselev, Tatiana Usacheva, V A SharninAbstract:Abstract The spatial structure of pyridoxal 5′-phosphate Hydrazones of 2-furoic hydrazide; thiophene-2-carboxylic hydrazide in aqueous solution was studied by means of quantum chemical calculations and NOE experiment. The Hydrazones could exist as a mixture of different conformers; however, the specific ones could be suggested from experimental and calculated data. The stability constants of Hydrazones at pH of 1.9; 6.6; 7.0; 7.4 were determined using UV–Vis spectroscopy. Rate constants of the Hydrazone formation and hydrolysis reaction within the range of 6.6–7.4 pH were obtained. Isothermal calorimetric titration was performed in order to determine the change in the free Gibbs energy, enthalpy and entropy of Hydrazones formation at pH of 6.6. Hydrazones were synthesized and characterized by means of 1H, 13C, 31P NMR, IR, UV–Vis, fluorescent, MS-spectroscopy as well as DSC and elemental analysis.
Ilya A Khodov - One of the best experts on this subject based on the ideXlab platform.
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spatial structure thermodynamics and kinetics of formation of Hydrazones derived from pyridoxal 5 phosphate and 2 furoic thiophene 2 carboxylic hydrazides in solution
Journal of Molecular Liquids, 2019Co-Authors: G A Gamov, Ilya A Khodov, K V Belov, M N Zavalishin, A N Kiselev, Tatiana Usacheva, V A SharninAbstract:Abstract The spatial structure of pyridoxal 5′-phosphate Hydrazones of 2-furoic hydrazide; thiophene-2-carboxylic hydrazide in aqueous solution was studied by means of quantum chemical calculations and NOE experiment. The Hydrazones could exist as a mixture of different conformers; however, the specific ones could be suggested from experimental and calculated data. The stability constants of Hydrazones at pH of 1.9; 6.6; 7.0; 7.4 were determined using UV–Vis spectroscopy. Rate constants of the Hydrazone formation and hydrolysis reaction within the range of 6.6–7.4 pH were obtained. Isothermal calorimetric titration was performed in order to determine the change in the free Gibbs energy, enthalpy and entropy of Hydrazones formation at pH of 6.6. Hydrazones were synthesized and characterized by means of 1H, 13C, 31P NMR, IR, UV–Vis, fluorescent, MS-spectroscopy as well as DSC and elemental analysis.
