This study discusses the basic guarantee of the Charter of the United Nations to realize the right to development from the angle of Transforming Our World: the 2030 Agenda for Sustainable Development. The concepts reg...This study discusses the basic guarantee of the Charter of the United Nations to realize the right to development from the angle of Transforming Our World: the 2030 Agenda for Sustainable Development. The concepts regarding the people as the focal point, the dignity, the worth of the human being, as well as larger aspects of freedom, and other basic concepts within the Charter of the United Nations, guide the right direction of action for the realization of the right to development. The purpose and principles of the United Nations establishment in the Charter constitute the basic legal protection of the right to development. Values of peace, international dialogue, and international cooperation show the right path to the realization of the right to development.展开更多
We theoretically investigate the excited state intramolecular proton transfer(ESIPT) behavior of the novel fluorophore bis-imine derivative molecule HNP which was designed based on the intersection of 1-(hydrazonometh...We theoretically investigate the excited state intramolecular proton transfer(ESIPT) behavior of the novel fluorophore bis-imine derivative molecule HNP which was designed based on the intersection of 1-(hydrazonomethyl)-naphthalene-2-ol and 1-pyrenecarboxaldehyde. Especially, the density functional theory(DFT) and time-dependent density functional theory(TDDFT) methods for HNP monomer are introduced. Moreover, the "our own n-layered integrated molecular orbital and molecular mechanics"(ONIOM) method(TDDFT:universal force field(UFF)) is used to reveal the aggregation-induced emission(AIE) effect on the ESIPT process for HNP in crystal. Our results confirm that the ESIPT process happens upon the photoexcitation for the HNP monomer and HNP in crystal, which is distinctly monitored by the optimized geometric structures and the potential energy curves. In addition, the results of potential energy curves reveal that the ESIPT process in HNP will be promoted by the AIE effect. Furthermore, the highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital(LUMO) for the HNP monomer and HNP in crystal have been calculated. The calculation demonstrates that the electron density decrease of proton donor caused by excitation promotes the ESIPT process. In addition, we find that the variation of atomic dipole moment corrected Hirshfeld population(ADCH) charge for proton acceptor induced by the AIE effect facilitates the ESIPT process. The results will be expected to deepen the understanding of ESIPT dynamics for luminophore under the AIE effect and provide insight into future design of high-efficient AIE compounds.展开更多
文摘基于耗氧速率(OUR)和脱氢酶活性(DHA)对异常水质条件以及毒性物质的存在都非常敏感,考察二者作为评价污泥活性方法的可行性,并对两个指标进行比较。结果表明,不同 pH值的化工污水以及含有苯酚、甲醛和甲醇等毒性物质的化工污水对 OUR 和 DHA 具有非常一致的变化趋势,可以通过 OUR 和 DHA 的测定同步反映出异常水质对污泥活性的影响。
文摘This study discusses the basic guarantee of the Charter of the United Nations to realize the right to development from the angle of Transforming Our World: the 2030 Agenda for Sustainable Development. The concepts regarding the people as the focal point, the dignity, the worth of the human being, as well as larger aspects of freedom, and other basic concepts within the Charter of the United Nations, guide the right direction of action for the realization of the right to development. The purpose and principles of the United Nations establishment in the Charter constitute the basic legal protection of the right to development. Values of peace, international dialogue, and international cooperation show the right path to the realization of the right to development.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11574115 and 11704146)
文摘We theoretically investigate the excited state intramolecular proton transfer(ESIPT) behavior of the novel fluorophore bis-imine derivative molecule HNP which was designed based on the intersection of 1-(hydrazonomethyl)-naphthalene-2-ol and 1-pyrenecarboxaldehyde. Especially, the density functional theory(DFT) and time-dependent density functional theory(TDDFT) methods for HNP monomer are introduced. Moreover, the "our own n-layered integrated molecular orbital and molecular mechanics"(ONIOM) method(TDDFT:universal force field(UFF)) is used to reveal the aggregation-induced emission(AIE) effect on the ESIPT process for HNP in crystal. Our results confirm that the ESIPT process happens upon the photoexcitation for the HNP monomer and HNP in crystal, which is distinctly monitored by the optimized geometric structures and the potential energy curves. In addition, the results of potential energy curves reveal that the ESIPT process in HNP will be promoted by the AIE effect. Furthermore, the highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital(LUMO) for the HNP monomer and HNP in crystal have been calculated. The calculation demonstrates that the electron density decrease of proton donor caused by excitation promotes the ESIPT process. In addition, we find that the variation of atomic dipole moment corrected Hirshfeld population(ADCH) charge for proton acceptor induced by the AIE effect facilitates the ESIPT process. The results will be expected to deepen the understanding of ESIPT dynamics for luminophore under the AIE effect and provide insight into future design of high-efficient AIE compounds.
