作者机构：
[Sun, Yunkai; Liu, Jian; Miao, Xuepei] Changzhou Inst Technol, Sch Chem Engn & Mat, Changzhou 213022, Peoples R China.;[Wu, Xiaoxia; Sun, Yunkai] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.;[Liu, Zhao; Wu, Xiaoxia; Zuo, Pei; Liu, Z] Harvest Pharmaceut Co Ltd, Changsha 410000, Peoples R China.;[Wen, Hairuo] Natl Inst Food & Drug Control, Natl Ctr Safety Evaluat Drugs, Key Lab Beijing Nonclin Safety Evaluat Res Drugs, Beijing 100176, Peoples R China.
通讯机构：
[Sun, YK ] C;[Liu, Z ] H;[Wen, HR ] N;Changzhou Inst Technol, Sch Chem Engn & Mat, Changzhou 213022, Peoples R China.;Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
摘要：
In the technical route for the synthesis of avanafil, 1-ethyl-(3-dimethylaminopropyl)carbamyldiimide hydrochloride (EDCI) and 1-hydroxybenzotriazole (HOBT) are used as reactive acid-amine binding agents. HOBT contains trace amounts of hydrazine residue, and there is a risk of introducing potentially mutagenic impurities with hydrazide-containing structures. The potentially genotoxic impurities E (Imp-E) and F (Imp-F) of avanafil with altering hydrazide-structure were synthesized by chemical method; subsequently, the impurities were evaluated and classified according to ICH M7 guidelines. Two complementary quantitative structure-activity relationship (QSAR) evaluation systems (Derek and Sarah) based on expert rules and statistics were used to preliminarily predict the genotoxicity of Imp-E and Imp-F, and the prediction result of E was suspected to be positive. In the Ames test of Imp-E and Imp-F, in the dose range of 62.5-1000 mu g per plate, with or without the presence of metabolic activation system S9, the number of revertant colonies did not exceed 2 times the number of colonies in the solvent control group and did not show a dose-response relationship, and the test results were negative. Imp-E and Imp-F were determined to be negative for genotoxicity, which could be controlled as class 5 in ICH M7, that is, non mutagenic impurity. Imp-E and Imp-F with altering hydrazide-structure were synthesized, which were determined to be negative for genotoxicity and could be controlled as class 5 in ICH M7.
作者机构：
[Feng, Yi; Li, Na; Cheng, Lu; Cao, Meng; Wang, Xiao-Feng; Tan, Chunhong] Univ South China, Sch Chem & Chem Engn, Hengyang 421001, Hunan, Peoples R China.;[Tan, Chunhong] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China.;[Sun, Yunkai] Changzhou Inst Technol, Sch Chem & Mat Sci, Changzhou 213022, Jiangsu, Peoples R China.
通讯机构：
[Chunhong Tan; Yunkai Sun; Xiao-Feng Wang] S;School of Chemistry and Chemical Engineering, University of South China, Hengyang, Hunan, P. R. China<&wdkj&>School of Chemistry and Materials Science, Changzhou Institute of Technology, Changzhou, Jiangsu, P. R. China<&wdkj&>School of Chemistry and Chemical Engineering, University of South China, Hengyang, Hunan, P. R. China<&wdkj&>State Key Laboratory of Structure Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, P. R. China
摘要：
The reactions of [Cu(CH3CN)(4)]ClO4 and 2-(diphenylphosphino)pyridine (dppy) with different halogen reagents NH4X (X = Cl-, Br- and l(-)) and four luminescent di-copper(i) coordination compounds, namely [Cu-2(mu-dppy)(3)Cl]ClO4 center dot H2O (1a), [Cu-2(mu-dppy)(3)Br]ClO4 (2a), Cu-2(mu-Br)(2)(mu-dppy)(eta-dppy)(2) (2b) and [Cu-2(mu-l)(2)(mu-dppy)(eta-dppy)(2)] (3b), were isolated. Intriguingly, X-ray crystallographic studies reveal that there were two kinds of Cue-core structural configuration induced by the differently sized halogen anions. With Cl--acting as a co-ligand, 1a featured a trefoil-like Cu-2-core with three mu(2)-dppy in a head-to-head orientation bridging two Cu(I) and one terminal Cl- occupying one axial position. On replacing Cl- with l(-), 3b comprised a butterfly-like Cue-core, being bridged by two I- anions and one mu(2)-dppy along with two terminal dppy. When Br- was employed, both the above types of Cu-2-cores were obtained in 2a and 2b, respectively. All these four di-copper(I) compounds exhibit intense green photoluminescence with microsecond lifetimes.
通讯作者：
Prof. Dr. Xiao-Feng Wang<&wdkj&>Prof. Dr. Ying-Wu Lin<&wdkj&>Prof. Dr. Yue-Biao Zhang<&wdkj&>Prof. Dr. João Rocha
作者机构：
[Prof. Dr. Yue-Biao Zhang] School of Physical Science and Technology, ShanghaiTech University, 393 Middle Huaxia Road, Pudong, Shanghai, China;[Dr. Zhen Fang] College of Chemistry and Materials Science, Anhui Normal University, No.1, East Beijing Road, Wuhu, 241000 Anhui, China;[Dr. Fanian Shi; Prof. Dr. João Rocha] Department of Chemistry, CICECO-Aveiro Institute of Materials, University of Aveiro, Santiago Campus, Aveiro, 3810-193 Portugal;[Yangyang Chen; Li-Ping Song; Jian Zhang; Prof. Dr. Ying-Wu Lin; Dr. Yunkai Sun] School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng Xi Road, Hengyang, 421001 Hunan, China;[Prof. Dr. Xiao-Feng Wang] School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng Xi Road, Hengyang, 421001 Hunan, China<&wdkj&>Department of Chemistry, CICECO-Aveiro Institute of Materials, University of Aveiro, Santiago Campus, Aveiro, 3810-193 Portugal
通讯机构：
[Prof. Dr. Xiao-Feng Wang; Prof. Dr. Ying-Wu Lin; Prof. Dr. Yue-Biao Zhang] S;[Prof. Dr. João Rocha] D;School of Physical Science and Technology, ShanghaiTech University, 393 Middle Huaxia Road, Pudong, Shanghai, China<&wdkj&>Department of Chemistry, CICECO-Aveiro Institute of Materials, University of Aveiro, Santiago Campus, Aveiro, 3810-193 Portugal<&wdkj&>School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng Xi Road, Hengyang, 421001 Hunan, China<&wdkj&>Department of Chemistry, CICECO-Aveiro Institute of Materials, University of Aveiro, Santiago Campus, Aveiro, 3810-193 Portugal<&wdkj&>School of Chemistry and Chemical Engineering, University of South China, No. 28, Changsheng Xi Road, Hengyang, 421001 Hunan, China
摘要：
<jats:title>Abstract</jats:title><jats:p>To efficiently capture the toxic uranyl ions (UO<jats:sub>2</jats:sub><jats:sup>2+</jats:sup>), a new hierarchical micro‐macroporous metal–organic framework was prepared under template‐free conditions, featuring interconnected multi‐nanocages bearing carbonyl groups derived from a semi‐rigid ligand. The material exhibits an unusually high UO<jats:sub>2</jats:sub><jats:sup>2+</jats:sup> sorption capacity of 562 mg g<jats:sup>−1</jats:sup>, which occurs in an intriguing two‐steps process, on the macropore‐based crystal surface and in the inner nanocages. Notably, the latter is attributed to the cooperative interplay of the shrinkage of the host porous framework induced by uranyl accommodation and the free carbonyl coordination sites, as shown by both single‐crystal X‐ray diffraction and a red‐shift of the infrared [O=U<jats:sup>VI</jats:sup>=O]<jats:sup>2+</jats:sup> antisymmetric vibration band.</jats:p>
摘要：
By the reaction of different aromatic dicarboxylic acid with zinc nitrate, three metal-carboxylate frameworks, [Zn_3(BDC)_3(EtOH)_2](1), [Zn_3(BDC)_3(py)_2]·2DMF(2), and [Zn_3(NH_2-BDC)_3(H_2O)_2]·5DMF(3) which are constructed on the same linear trinuclear Zn_3(RCOO)_6 secondary building units, have been synthesized and characterized by X-ray diffraction analyses. Structural analyses showed that there are terephthalic acids as ligand linkers to form the hxl topological layer structures for 1 and 2. The introduction of the rigid aromatic ring pyridine in 2 as the terminal co-ligand of Zn_3-SBU to instead of the flexible ethanol in 1, will form the layer-pillared supramolecular systems with 2-D crisscross channels, through its π-π stacking interactions. Owing to the steric hindrance of amino groups, 3 was assembled into a three-dimensional porous structure with pcu topology derived from the 2-amino-terephthalic acid as linkers to connect the Zn_3-SBUs through a head-to-tail type.
作者机构：
[孙允凯; 阳鹏飞] School of Chemistry and Chemical Engineering, University of South China, Hengyang, Hunan, 421001, China;[柯国军] School of Civil Engineering, University of South China, Hengyang, Hunan, 421001, China
