The new manganese（Ⅱ） coordination compound, [Mn（Cl）2（L）2]（1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine）, has been achieved under hydrothermal conditions. The structure of compound 1 was determined by sing...The new manganese（Ⅱ） coordination compound, [Mn（Cl）2（L）2]（1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine）, has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. 1 crystallizes in monoclinic system, space group C2/c with a = 8.419（2）, b = 12.286（2）, c = 28.451（6） ?, β = 95.889（3）°, V =2927.5（10） ?3, Z = 4, C36 H16 MnF2 Cl2 N8, Mr = 724.41, Dc = 1.644 g/cm3, F（000） = 1460, μ（Mo Ka）= 0.691 mm-1, R = 0.0445 and wR = 0.0982. Adjacent compounds are stacked by one type of π-πinteraction among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π-π interaction among L ligands to give a 2D supramolecular layer. Moreover, the C-F···π interactions between the carbon atom of the L ligand and the pyrazine ring of the adjacent L ligand further stabilize the supramolecular layer of 1. In addition, natural bond orbital（NBO） analysis has been calculated by the B3LYP/LANL2DZ method, which shows obvious covalent interaction between the coordinated atoms and Mn（Ⅱ） ion.展开更多
为打造以乘客为中心的门到门高度整合的一站式出行即服务(Mobilitya sa Service,MaaS)模式,构建适合我国国情的MaaS体系框架和发展路径,在全面分析MaaS典型特征、影响因素以及全球典型MaaS体系框架的基础上,首先对比了MaaS与传统运输服...为打造以乘客为中心的门到门高度整合的一站式出行即服务(Mobilitya sa Service,MaaS)模式,构建适合我国国情的MaaS体系框架和发展路径,在全面分析MaaS典型特征、影响因素以及全球典型MaaS体系框架的基础上,首先对比了MaaS与传统运输服务模式的差异,然后提出了涵盖乘客、交通运营商、数据服务商、MaaS服务商、政府部门等各利益相关方的MaaS体系框架并设计各方的职责和相互关系。最后通过系统梳理我国不同公共运输模式在管理体制、运营模式、身份认证、安全检查、支付清分等方面的现状与问题,考虑不同出行服务模式在不同业务层级间整合的难易程度,对我国MaaS体系的发展阶段进行了划分,并从基础能力、关键技术、应用示范、合作伙伴关系等方面提出了我国MaaS体系发展路径。展开更多
Elucidation of the efficacy of traditional Chinese medicine(TCM) is of importance for scientists of modern medicine to understand the value of TCM clinical experience, and it is necessary to have a biological language...Elucidation of the efficacy of traditional Chinese medicine(TCM) is of importance for scientists of modern medicine to understand the value of TCM clinical experience, and it is necessary to have a biological language to scientifically describe the efficacy of TCM. With this background,Chinmedomics has been proposed by our team, which includes integrating serum pharmacochemistry and metabolomics technology, defining theory and research methods for expressing the efficacy of TCMs based on the biomarkers discovery of TCM syndrome and elucidating the efficacy of TCM formulae, discovering effective constituents, and finally elucidating the scientific value of TCM. In the present study, the innovative chinmedomics strategy was conducted to evaluate the therapeutic effects of Shen Qi Wan(SQW) acting on Shen Yang Xu(kidney-yang deficiency syndrome, KYDS). We analyzed the urine metabolic trajectory between the model and control groups, and identified the biomarkers by the multivariate analysis. We found that SQW caused significant restoration of abnormal metabolism of KYDs. Using the method of metabolomics, 17 potential urine biomarkers were analyzed through 4 repeated tests in our serial studies on SQW and KYDS. Under the premise of therapeutic efficacy, a total of 56 peaks were tentatively characterized in vivo by the use of serum pharmacochemistry. Correlation analysis between marker metabolites and in vivo constituents of SQW showed that 28 compositions had a close relationship with urine biomarkers of therapeutic effects, whichmight play a key role in the therapeutic effect of SQW. These compounds were imported into an online database to predict their targets. Twenty-three important potential targets were identified, which were related to the metabolism of steroid hormone, tryptophan utilization, and thyroid hormone. In conclusion, chinmedomics is a useful strategy for discovery of potentially effective constituents from complex TCM formulae.展开更多
基金Supported by the National Natural Science Foundation of China(No.21607051)the Science and Technology Research Projects of the Education Committee of Jilin Province(No.JJKH20180779KJ)
文摘The new manganese（Ⅱ） coordination compound, [Mn（Cl）2（L）2]（1, L = 11-fluorodipyrido[3,2-a:2?,3?-c]phenazine）, has been achieved under hydrothermal conditions. The structure of compound 1 was determined by single-crystal X-ray diffraction. 1 crystallizes in monoclinic system, space group C2/c with a = 8.419（2）, b = 12.286（2）, c = 28.451（6） ?, β = 95.889（3）°, V =2927.5（10） ?3, Z = 4, C36 H16 MnF2 Cl2 N8, Mr = 724.41, Dc = 1.644 g/cm3, F（000） = 1460, μ（Mo Ka）= 0.691 mm-1, R = 0.0445 and wR = 0.0982. Adjacent compounds are stacked by one type of π-πinteraction among L ligands to generate a 1D supramolecular chain. Further, the 1D supramolecular chains are stacked by another type of π-π interaction among L ligands to give a 2D supramolecular layer. Moreover, the C-F···π interactions between the carbon atom of the L ligand and the pyrazine ring of the adjacent L ligand further stabilize the supramolecular layer of 1. In addition, natural bond orbital（NBO） analysis has been calculated by the B3LYP/LANL2DZ method, which shows obvious covalent interaction between the coordinated atoms and Mn（Ⅱ） ion.
文摘为打造以乘客为中心的门到门高度整合的一站式出行即服务(Mobilitya sa Service,MaaS)模式,构建适合我国国情的MaaS体系框架和发展路径,在全面分析MaaS典型特征、影响因素以及全球典型MaaS体系框架的基础上,首先对比了MaaS与传统运输服务模式的差异,然后提出了涵盖乘客、交通运营商、数据服务商、MaaS服务商、政府部门等各利益相关方的MaaS体系框架并设计各方的职责和相互关系。最后通过系统梳理我国不同公共运输模式在管理体制、运营模式、身份认证、安全检查、支付清分等方面的现状与问题,考虑不同出行服务模式在不同业务层级间整合的难易程度,对我国MaaS体系的发展阶段进行了划分,并从基础能力、关键技术、应用示范、合作伙伴关系等方面提出了我国MaaS体系发展路径。
基金supported by the Key Program of Natural Science Foundation of State(Nos.81430093,81173500,81373930,81302905,81202639)National Key Subject of Drug Innovation(Nos.2015ZX09101043-005,2015ZX09101043-011)+1 种基金the Natural Science Foundation of Heilongjiang Province of China(H2015038)Youth Innovative Talent Program of Heilongjiang Province of China(UNPYSCT-2015118)
文摘Elucidation of the efficacy of traditional Chinese medicine(TCM) is of importance for scientists of modern medicine to understand the value of TCM clinical experience, and it is necessary to have a biological language to scientifically describe the efficacy of TCM. With this background,Chinmedomics has been proposed by our team, which includes integrating serum pharmacochemistry and metabolomics technology, defining theory and research methods for expressing the efficacy of TCMs based on the biomarkers discovery of TCM syndrome and elucidating the efficacy of TCM formulae, discovering effective constituents, and finally elucidating the scientific value of TCM. In the present study, the innovative chinmedomics strategy was conducted to evaluate the therapeutic effects of Shen Qi Wan(SQW) acting on Shen Yang Xu(kidney-yang deficiency syndrome, KYDS). We analyzed the urine metabolic trajectory between the model and control groups, and identified the biomarkers by the multivariate analysis. We found that SQW caused significant restoration of abnormal metabolism of KYDs. Using the method of metabolomics, 17 potential urine biomarkers were analyzed through 4 repeated tests in our serial studies on SQW and KYDS. Under the premise of therapeutic efficacy, a total of 56 peaks were tentatively characterized in vivo by the use of serum pharmacochemistry. Correlation analysis between marker metabolites and in vivo constituents of SQW showed that 28 compositions had a close relationship with urine biomarkers of therapeutic effects, whichmight play a key role in the therapeutic effect of SQW. These compounds were imported into an online database to predict their targets. Twenty-three important potential targets were identified, which were related to the metabolism of steroid hormone, tryptophan utilization, and thyroid hormone. In conclusion, chinmedomics is a useful strategy for discovery of potentially effective constituents from complex TCM formulae.
