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91.
Oleksandr P. Demchuk Bohdan V. Bobovskyi Bohdan V. Vashchenko Dr. Oleksandr V. Hryshchuk Artem Skreminskyi Dr. Anton V. Chernykh Dr. Viktoriia S. Moskvina Dr. Olga V. Hordiyenko Prof. Dr. Dmitriy M. Volochnyuk Prof. Dr. Oleksandr O. Grygorenko 《European journal of organic chemistry》2023,26(24):e202300292
Synthesis and physicochemical characterization of all possible cis- and trans-1,3-disubstituted cyclobutane-derived amines and carboxylic acids bearing mono-, di- and trifluoromethyl groups at the C-3 position is disclosed. Tetramethylammonium fluoride (TMAF)- or morpholinosulfur trifluoride (Morph-DAST)-mediated nucleophilic fluorination of appropriate cis- and trans-diastereomeric substrates was used as the key step for the preparation of CH2F- and CHF2-substituted derivatives. To obtain the corresponding cis- and trans-isomeric CF3-substituted derivatives, resolution of known 3-(trifluoromethyl)cyclobutanecarboxylic acid (obtained as a mixture of diastereomers) was applied. The proposed procedures were suitable for the preparation of corresponding fluoroalkyl-substituted cyclobutane-derived amines and carboxylic acids on up to 50 g scale. All 12 building blocks obtained were characterized by measuring dissociation constants (pKa) and lipophilicities (LogP, for model derivatives) to evaluate the effect of the fluoroalkyl substituents on their physicochemical properties relevant to further drug discovery applications. 相似文献
92.
Dmytro I. Sierov Illia V. Dzhulai Kateryna I. Siryk Kostiantyn V. Shvydenko Tetiana I. Shvydenko Prof. Dr. Kostiantyn Nazarenko Prof. Dr. Aleksandr Kostyuk Oleksandr S. Liashuk Prof. Dr. Oleksandr O. Grygorenko 《European journal of organic chemistry》2023,26(34):e202300538
A systematic study on the SnAr reaction of halogenated fluoropyridines and (hetero)aliphatic nitrile anions as an approach to the synthesis of functionalized pyridines bearing a (cyclo)alkyl or saturated heterocyclic substituent by is described. The scope of the method was demonstrated on a wide range of (hetero)aliphatic nitriles (including three- to six-membered cycloalkane derivatives and N-, O-, S-containing saturated heterocycles) and all isomeric halogenated 2-and 4-fluoropyridines. High chemo- and regioselectivity (i. e., exclusive substitution of the fluorine atom), as well as excellent scalability of the proposed reaction sequence were demonstrated (up to 450 g for the arylation step or up to 77 g of cycloalkylpyridine over two steps in a single run). The utility of the synthesized products was illustrated in the additional functional group transformations resulting in synthetically valuable pyridine-containing building blocks. 相似文献
93.
Xiaoxuan Han Ruijie Zhao Yong Tian Yutong Li Xu-Wei Chen Jiping Ma Weiliang Wang Yanfeng Zhang Song Geng Menglin Liu 《Journal of separation science》2023,46(11):2300006
A high-performance liquid chromatography-ultraviolet method was developed for rapidly and simultaneously analyzing novel and typical bisphenols in building materials, including bisphenol S, diphenolic acid, bisphenol F, bisphenol E, bisphenol A, bisphenol B, bisphenol AF, bisphenol AP, bisphenol C, bisphenol FL, bisphenol Z, bisphenol BP, bisphenol M, and bisphenol P. By using a Kromasil 100–5 C18 column, these bisphenols were completely separated in 40 min via gradually increasing the concentration of methanol in the mobile phase from 45 to 80% during the elution process. In particular, this method achieved the synchronous analysis of bisphenol S, diphenolic acid, bisphenol FL, bisphenol BP, and bisphenol M through HPLC, which were difficult to separate and had to be identified and detected through mass spectrometry. The limits of detection of the method ranged from 0.002 to 0.040 mg/L for these 14 bisphenols, with a precision of less than 4.9% (n = 7, c = 0.05 mg/L). The analytical results for five types of building materials (phenolic, epoxy, polycarbonate, polyester, and polysulfone resins) indicated that the proposed method is appropriated for the rapid measurement of bisphenols in real samples. 相似文献
94.
Thomas R. Shemanske 《Transactions of the American Mathematical Society》2007,359(7):3409-3423
In this paper, we investigate both arithmetic and combinatorial aspects of buildings and associated Hecke operators for with a local field. We characterize the action of the affine Weyl group in terms of a symplectic basis for an apartment, characterize the special vertices as those which are self-dual with respect to the induced inner product, and establish a one-to-one correspondence between the special vertices in an apartment and the elements of the quotient .
We then give a natural representation of the local Hecke algebra over acting on the special vertices of the Bruhat-Tits building for . Finally, we give an application of the Hecke operators defined on the building by characterizing minimal walks on the building for .
95.
在非稳定传热理论基础上,采用现代计算物理方法,建立了适用的物理模型和数学模型,给出了合理的定解条件,编制了计算机软件,在VAX11/785机上进行了数值计算,结果表明,郑州地区冬季不采暖,室温可达14℃。 相似文献
97.
Natural radioactivity and radon exhalation rates in building materials used in Egypt 总被引:2,自引:0,他引:2
Natural and fabricated building materials commonly used in Egypt were surveyed for both natural radionuclides content and radon exhalation rate. These include raw as well as construction products. Concentration of natural radionuclides in all samples were determined by γ-ray spectroscopy with HPGe detector. For Radon exhalation rate measurements of fabricated samples, the seal can-technique has been applied using CR-39 plastic track detectors. The radiation hazard indices of the total natural radioactivity in the studied samples were estimated. The results were compared with the corresponding results of different countries and were found to be lying within the average world values. Radon exhalation rate in the studied samples varied between 197 (cement brick) and 907 mBq m−2 h−1 (blast furnace slag cement). The results of this survey suggest that, using blast furnace slag cement for pre-coating the internal walls of buildings in the Urban region of Egypt is discouraged and the replacement of clay brick by cement brick will be more healthy for the public. 相似文献
98.
利用Building理论获得一种计算某些三角几何的基本群的新的方法.这种方法能够容易地计算出无限多有限三角几何的基拓扑基本群. 相似文献
99.
仿真模拟技术在建筑材料实验教学中的应用 总被引:6,自引:0,他引:6
利用仿真模拟技术,研制了基于Windows平台,采用模块化结构的建筑材料模拟仿真实验教学系统.该系统由原理规范、实验演示、模拟实验和测试习题等部分组成,具备部分替代实物实验、某些方面超过实物实验的功能.试用表明,仿真实验教学系统与实物实验互相配合,可提高实验教学的效果,缓解当前建筑材料实验教学的困境. 相似文献
100.
This article concerns the calculation of equilibria of ligand binding to multiple sites in macromolecules in the presence of conformational flexibility and conformation-dependent interaction among the sites. A formulation of this problem is presented in which global conformational changes are distinguished from conformational changes that are confined to “locally flexible regions.” The formalism is quite general in that ligands of different types, multivalent binding sites, tautomeric binding sites, and sites that bind more than one type of ligand can be accommodated. Strictly speaking, the separation of the conformational problem into global and local parts does not impose any loss of generality, although in practice it is necessary to restrict the number of global and local conformers. Because of the combinatorics of binding and conformational states, the computational complexity of a problem having only local conformational flexibility grows exponentially with the number of sites and the number of locally flexible regions. An iterative mobile clustering method for cutting off this exponential growth and obtaining approximate solutions with low computational cost is presented and tested. In this method, a binding site is selected, and a “cluster” of strongly interacting sites is set up around it; within the cluster, the binding and conformational states are fully enumerated, whereas the influences of sites outside the cluster on the sites inside are treated by a mean field approximation. The procedure then moves to the next site around which another (possibly overlapping) cluster is formed and the calculation is repeated. The procedure iterates through the list of sites in this way, using the results of previous iterations for the mean-field terms of current iterations until a convergence criterion is met. The method is tested on a large set of randomly generated problems of varying size, whose geometries are chosen to have protein-like statistical properties. It is found that the method is accurate and rapid with the computational cost scaling linearly to quadratically with the number of sites, except for a minority of cases in which large clusters occur by chance. The new method is more accurate than a Monte Carlo method, and may be faster or slower depending on the clustering criteria and details of the macromolecule. ©1999 John Wiley & Sons, Inc. J Comput Chem 20: 1091–1111, 1999 相似文献