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91.
An Aluminophosphate Molecular Sieve with 36 Crystallographically Distinct Tetrahedral Sites 下载免费PDF全文
Jun Kyu Lee Alessandro Turrina Liangkui Zhu Seungwan Seo Dr. Daliang Zhang Dr. Paul A. Cox Prof. Paul A. Wright Prof. Shilun Qiu Prof. Suk Bong Hong 《Angewandte Chemie (International ed. in English)》2014,53(29):7480-7483
The structure of the new medium‐pore aluminophosphate molecular sieve PST‐6 is determined by the combined use of rotation electron diffraction tomography, synchrotron X‐ray powder diffraction, and computer modeling. PST‐6 was prepared by calcination of another new aluminophosphate material with an unknown structure synthesized using diethylamine as a structure‐directing agent, which is thought to contain bridging hydroxy groups. PST‐6 has 36 crystallographically distinct tetrahedral sites in the asymmetric unit and is thus crystallographically the most complex zeolitic structure ever solved. 相似文献
92.
Yuta Tsunoda Katsunori Fukuta Taisuke Imamura Prof. Dr. Ryo Sekiya Dr. Taniyuki Furuyama Prof. Dr. Nagao Kobayashi Prof. Dr. Takeharu Haino 《Angewandte Chemie (International ed. in English)》2014,53(28):7243-7247
Encapsulation of chiral guests in the dissymmetric capsule 1?4 BF4 formed diastereomeric supramolecular complexes G ? 1?4 BF4 ( G : guest). When chiral guests 2 a – q were encapsulated within the dissymmetric space of the self‐assembled capsule 1?4 BF4, circular dichroism (CD) was observed at the absorption bands that are characteristic of the π–π* transition of the bipyridine moiety of the capsule, which suggests that the P and M helicities of the capsule are biased by the chiral guest complexation. The P helicity of diastereomeric complex (S)‐ 2 l ? 1?4 BF4 was determined to be predominant, based on CD exciton coupling theory and DFT calculations. The diastereoselectivity was highly influenced by the ester substituents, such that benzyl ester moieties were good for improving the diastereoselectivity. A diastereomeric excess of 98 % was achieved upon the complexation of 2 j . The relative enthalpic and entropic components for the distereoselectivity were obtained from a van’t Hoff plot. The enthalpic components were linearly correlated with the substituent Hammett parameters (σp+). The electron‐rich benzyl ester moieties generated donor–acceptor π–π stacking interactions with the bipyridine moiety, which resulted in a significant difference in energy between the predominant and subordinate diastereomeric complexes. 相似文献
93.
A quantification method for imatinib (IM), its major metabolite N-desmethyl imatinib (NDI), and a degradation by-product was developed using CE–MS combined with an online concentration technique. The use of multiple reaction monitoring (MRM)–MS/MS further improved the sensitivity of this technology. Liquid–liquid extraction (LLE) using tertiary butyl methyl ether yielded high recovery and reproducibility for the pretreatment of serum samples. The recovery rate exceeded 83% for all three analytes, and was 90% for IM. To improve quantification results, a conductivity-induced online analyte concentration technique, field-amplified sample stacking (FASS), was used. The S/N ratios were improved at least 10-fold when compared with conventional capillary zone electrophoresis. The detection limits were 0.2 ng/mL for IM, 0.4 ng/mL for NDI, and 4 ng/mL for the degradation by-product. These results are superior to those previously obtained by other reported methods. The new method was validated in terms of its selectivity, intra- and interday repeatability and accuracy, and sample storage stability, following the guidelines issued by the European Medicines Agency. Considering the convenient pretreatment procedure (LLE), superior sensitivity, and fast analysis speed (<15 min), this method can be useful in the determination of imatinib levels in blood. 相似文献
94.
Ryota Kudo Masahiro Sonobe Yoshiaki Chino Yu Kitazawa Mutsumi Kimura 《Molecules (Basel, Switzerland)》2020,25(23)
The synthesis and characterization of two phthalocyanine (Pc) structural isomers, 1 and 2, in which four 2,6-di(hexyloxy)phenyl units were attached directly to the 1,8,15,22- or 1,4,15,18-positions of the Pc rings, are described. Both Pcs 1 and 2 exhibited low melting points, i.e., 120 and 130 °C respectively, due to the reduction in intermolecular π-π interaction among the Pc rings caused by the steric hindrance of 2,6-dihexyloxybenzene units. The thermal behaviors were investigated with temperature-controlled polarizing optical microscopy, differential scanning calorimetry, powder X-ray diffraction, and absorption spectral analyses. Pc 1, having C4h molecular symmetry, organized into a lamellar structure containing lateral assemblies of Pc rings. In contrast, the other Pc 2 revealed the formation of metastable crystalline phases, including disordered stacks of Pcs due to rapid cooling from a melted liquid. 相似文献
95.
Luyang Zhao Yamei Liu Ruirui Xing Xuehai Yan 《Angewandte Chemie (International ed. in English)》2020,59(10):3793-3801
Supramolecular assemblies have been very successful in regulating the photothermal conversion efficiency of organic photothermal materials in a simple and flexible way, compared with conventional molecular synthesis. In these assemblies, it is the inherent physiochemical mechanism that determines the photothermal conversion, rather than the assembly strategy. This Minireview summarizes supramolecular photothermal effects, which refer to the unique features of supramolecular chemistry for regulating the photothermal conversion efficiency. Emphasis is placed on the mechanisms of how self‐assembly affects the photothermal performance. The supramolecular photothermal effects on various types of light‐harvesting species are discussed in detail. The timely interpretation of supramolecular photothermal effects is promising for the future design of the photothermal materials with high efficiency, precision, and multiple functionalities for a wide array of applications. 相似文献
96.
Jin‐Yue Zeng Xiao‐Shuang Wang Bo‐Ru Xie Min‐Jie Li Xian‐Zheng Zhang 《Angewandte Chemie (International ed. in English)》2020,59(25):10087-10094
Fluorescent materials exhibiting two‐photon induction (TPI) are used for nonlinear optics, bioimaging, and phototherapy. Polymerizations of molecular chromophores to form π‐conjugated structures were hindered by the lack of long‐range ordering in the structure and strong π–π stacking between the chromophores. Reported here is the rational design of a benzothiadiazole‐based covalent organic framework (COF) for promoting TPI and obtaining efficient two‐photon induced fluorescence emissions. Characterization and spectroscopic data revealed that the enhancement in TPI performance is attributed to the donor‐π‐acceptor‐π‐donor configuration and regular intervals of the chromophores, the large π‐conjugation domain, and the long‐range order of COF crystals. The crystalline structure of TPI‐COF attenuates the π–π stacking interactions between the layers, and overcomes aggregation‐caused emission quenching of the chromophores for improving near‐infrared two‐photon induced fluorescence imaging. 相似文献
97.
Al-Ameen Bariz OmarAli Ahmed Jasim M. Al-Karawi Adil A. Awad Necmi Dege Sevgi Kansz Erbil Agar Zaman Ahmed Hussein Iman Rajab Mohammed 《Acta Crystallographica. Section C, Structural Chemistry》2020,76(5):476-482
Reaction of N,N′‐(cyclohexane‐1,2‐diylidene)bis(4‐fluorobenzohydrazide), C20H18F2N4O2, ( LF ), with zinc chloride and mercury(II) chloride produced different types and shapes of neutral coordination complexes, namely, dichlorido[N,N′‐(cyclohexane‐1,2‐diylidene)bis(4‐fluorobenzohydrazide)‐κ2N,O]zinc(II), [ZnCl2(C20H18F2N4O2)], ( 1 ), and dichlorido[N,N′‐(cyclohexane‐1,2‐diylidene)bis(4‐fluorobenzohydrazide)‐κ4O,N,N′,O′]mercury(II), [HgCl2(C20H18F2N4O2)], ( 2 ). The organic ligand and its metal complexes are characterized using various techniques: IR, UV–Vis and nuclear magnetic resonance (NMR) spectroscopies, in addition to powder X‐ray diffraction (PXRD), single‐crystal X‐ray crystallography and microelemental analysis. Depending upon the data from these analyses and measurements, a typical tetrahedral geometry was confirmed for zinc complex ( 1 ), in which the ZnII atom is located outside the bis(benzhydrazone) core. The HgII atom in ( 2 ) is found within the core and has a common octahedral structure. The in vitro antibacterial activities of the prepared compounds were evaluated against two different bacterial strains, i.e. gram positive Bacillus subtilis and gram negative Pseudomonas aeruginosa bacteria. The prepared compounds exhibited differentiated growth‐inhibitory activities against these two bacterial strains based on the difference in their lipophilic nature and structural features. 相似文献
98.
Exciton‐Vibrational Couplings in Homo‐ and Heterodimer Stacks of Perylene Bisimide Dyes within Cyclophanes: Studies on Absorption Properties and Theoretical Analysis 下载免费PDF全文
David Bialas Christoph Brüning Dr. Felix Schlosser Dr. Benjamin Fimmel Johannes Thein Prof. Dr. Volker Engel Prof. Dr. Frank Würthner 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(42):15011-15018
The optical properties of a series of three cyclophanes comprising either identical or different perylene bisimide (PBI) chromophores were studied by UV/Vis absorption spectroscopy and their distinctive spectral features were analyzed. All the investigated cyclophanes show significantly different absorption features with respect to the corresponding constituent PBI monomers indicating strong coupling interactions between the PBI units within the cyclophanes. DFT calculations suggest a π‐stacked arrangement of the PBI units at close van der Waals distance in the cyclophanes with rotational displacement. Simulations of the absorption spectra based on time‐dependent quantum mechanics properly reproduced the experimental spectra, revealing exciton‐vibrational coupling between the chromophores both in homo‐ and heterodimer stacks. The PBI cyclophane comprising two different PBI chromophores represents the first example of a PBI heterodimer stack for which the exciton coupling has been investigated. The quantum dynamics analysis reveals that exciton coupling in heteroaggregates is indeed of similar strength as for homoaggregates. 相似文献
99.
《Journal of Coordination Chemistry》2012,65(9):735-740
Crystals of the title compound, [(C6H6N4S2)(C4H5NO4)(H2O)Ni]·H2O, consist of the Ni(II) complex and lattice water. The Ni(II) complex adopts a distorted octahedral coordination geometry formed by an iminodiacetate anion (IDA), a diaminobithiazole (DABT) and a coordinated water molecule. A twisted configuration of DABT is the distinguishing feature in the complex, the dihedral angle between thiazole rings of DABT being 20.04(8)°. An aromatic stacking interaction occurs between thiazole rings from neighboring complex molecules, and is considered as the reason for the twisted configuration. The tridentate IDA dianion chelates to a Ni(II) atom in afacialconfiguration. A hydrogen bond network holds the complex molecules together to form a supramolecular structure. 相似文献
100.
机械故障模糊诊断中模糊矩阵的可视化处理与分析 总被引:2,自引:0,他引:2
通过对机械故障诊断中的模糊矩阵及采用不同数学模型运算后的结果进行可视化处理,得到二维图谱和三维图谱,使故障与征兆之间的关系更加明确 相似文献