In this article, we have performed B3LYP/6-31＋G（d） calculations of geometrical and reaction enthalpies of antioxidant mechanisms for ADPHT 1-4 （3-alkyl-4-phenylacetylamino-lH-1,2,4-triazol-5-ones） and its derivat...In this article, we have performed B3LYP/6-31＋G（d） calculations of geometrical and reaction enthalpies of antioxidant mechanisms for ADPHT 1-4 （3-alkyl-4-phenylacetylamino-lH-1,2,4-triazol-5-ones） and its derivatives： HAT （hydrogen atom transfer）, SET-PT （single electron transfer-proton transfer） and SPLET （sequential proton-loss electron transfer） were investigated in gas and solution-phases. Solvent contribution to enthalpies was computed employing integral equation formalism IEF-PCM （integral equation formalism method） method. It turned out that the lowest BDEs （bond dissociation energies） is obtained for C-H bonds due to captodative effect in various media. Results indicate that HAT mechanism represents the most anticipated process in gas-phase from thermodynamic point of view. But, the SPLET represents the thermodynamically preferred reaction pathway in solvents （2-propanol, acetonitrile, DMF （N,N-dimethylformamide） and water）. The authors showed that bond dissociation energies, IP （ionization potential） and PA （proton affinity） are sufficient to evaluate the thermodynamically preferred mechanism.展开更多
Given certain reactions to the ecological crisis as part of the multiple crisis of capitalism （like the so-called energy transition in Germany）, a new mode of development might emerge which can be called green capit...Given certain reactions to the ecological crisis as part of the multiple crisis of capitalism （like the so-called energy transition in Germany）, a new mode of development might emerge which can be called green capitalism. This would shift the terrain of social critique and emancipatory social struggles. The paper introduces the debate on ＂social-ecological transformation＂ which emerged as a radical part of a more comprehensive debate on ＂great＂ or ＂societal transformation＂ and high- lights its core issues： the issue of a necessary attractive mode of production and living for all, the role of pioneers of change and changing political and economic institutions, the acknowledgment of shifting social practices, the requirement for alternative imaginaries or ＂stories＂ of a good life as part of a contested process which is called ＂futuring.＂ As an example for alternative imaginaries, the current debate on ＂degrowth＂ is outlined and evaluated. The second part of the paper focuses more concretely on issues around the formation and existence of a global green-left. After mentioning a crucial problem for any global alternative--i.e., the structural feature of economic and geopolitical competition which historically divided the global Left and pulled it into compromises at national or regional scales--four requirements or characteristics of a global green-left are highlighted： to weaken and change capitalistically driven competition and competitiveness, to push a social-ecological transformation in democratic ways and not at the back ofordinary people （like conservative and liberal proposals for transformation tend to do）, to link more systematically green issues with labor issues and, finally, to transform the overall dispositive of political action from a ＂distributive＂ to a ＂transformative Left.＂ One dimension of such an enhancement, it is concluded, is a broader understanding of the ＂economy＂ itself by acknowledging the demands and achievements of a ＂care revolution＂ which will be crucial for an alternative mode of production and living.展开更多
文摘In this article, we have performed B3LYP/6-31＋G（d） calculations of geometrical and reaction enthalpies of antioxidant mechanisms for ADPHT 1-4 （3-alkyl-4-phenylacetylamino-lH-1,2,4-triazol-5-ones） and its derivatives： HAT （hydrogen atom transfer）, SET-PT （single electron transfer-proton transfer） and SPLET （sequential proton-loss electron transfer） were investigated in gas and solution-phases. Solvent contribution to enthalpies was computed employing integral equation formalism IEF-PCM （integral equation formalism method） method. It turned out that the lowest BDEs （bond dissociation energies） is obtained for C-H bonds due to captodative effect in various media. Results indicate that HAT mechanism represents the most anticipated process in gas-phase from thermodynamic point of view. But, the SPLET represents the thermodynamically preferred reaction pathway in solvents （2-propanol, acetonitrile, DMF （N,N-dimethylformamide） and water）. The authors showed that bond dissociation energies, IP （ionization potential） and PA （proton affinity） are sufficient to evaluate the thermodynamically preferred mechanism.
文摘Given certain reactions to the ecological crisis as part of the multiple crisis of capitalism （like the so-called energy transition in Germany）, a new mode of development might emerge which can be called green capitalism. This would shift the terrain of social critique and emancipatory social struggles. The paper introduces the debate on ＂social-ecological transformation＂ which emerged as a radical part of a more comprehensive debate on ＂great＂ or ＂societal transformation＂ and high- lights its core issues： the issue of a necessary attractive mode of production and living for all, the role of pioneers of change and changing political and economic institutions, the acknowledgment of shifting social practices, the requirement for alternative imaginaries or ＂stories＂ of a good life as part of a contested process which is called ＂futuring.＂ As an example for alternative imaginaries, the current debate on ＂degrowth＂ is outlined and evaluated. The second part of the paper focuses more concretely on issues around the formation and existence of a global green-left. After mentioning a crucial problem for any global alternative--i.e., the structural feature of economic and geopolitical competition which historically divided the global Left and pulled it into compromises at national or regional scales--four requirements or characteristics of a global green-left are highlighted： to weaken and change capitalistically driven competition and competitiveness, to push a social-ecological transformation in democratic ways and not at the back ofordinary people （like conservative and liberal proposals for transformation tend to do）, to link more systematically green issues with labor issues and, finally, to transform the overall dispositive of political action from a ＂distributive＂ to a ＂transformative Left.＂ One dimension of such an enhancement, it is concluded, is a broader understanding of the ＂economy＂ itself by acknowledging the demands and achievements of a ＂care revolution＂ which will be crucial for an alternative mode of production and living.
