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21.
Neeraj Gandotra Bartomiej Kizielewicz Abhimanyu Anand Aleksandra Bczkiewicz Andrii Shekhovtsov Jarosaw Wtrbski Akbar Rezaei Wojciech Saabun 《Entropy (Basel, Switzerland)》2021,23(12)
The purpose of this paper is to propose a new Pythagorean fuzzy entropy for Pythagorean fuzzy sets, which is a continuation of the Pythagorean fuzzy entropy of intuitionistic sets. The Pythagorean fuzzy set continues the intuitionistic fuzzy set with the additional advantage that it is well equipped to overcome its imperfections. Its entropy determines the quantity of information in the Pythagorean fuzzy set. Thus, the proposed entropy provides a new flexible tool that is particularly useful in complex multi-criteria problems where uncertain data and inaccurate information are considered. The performance of the introduced method is illustrated in a real-life case study, including a multi-criteria company selection problem. In this example, we provide a numerical illustration to distinguish the entropy measure proposed from some existing entropies used for Pythagorean fuzzy sets and intuitionistic fuzzy sets. Statistical illustrations show that the proposed entropy measures are reliable for demonstrating the degree of fuzziness of both Pythagorean fuzzy set (PFS) and intuitionistic fuzzy sets (IFS). In addition, a multi-criteria decision-making method complex proportional assessment (COPRAS) was also proposed with weights calculated based on the proposed new entropy measure. Finally, to validate the reliability of the results obtained using the proposed entropy, a comparative analysis was performed with a set of carefully selected reference methods containing other generally used entropy measurement methods. The illustrated numerical example proves that the calculation results of the proposed new method are similar to those of several other up-to-date methods. 相似文献
22.
Vitaliy Smokal Oksana Kharchenko Yuriy Karabets Andrii Kysil Oksana Krupka 《Molecular Crystals and Liquid Crystals》2018,672(1):11-17
ABSTRACTIn this work we report preliminary results obtained for methacrylic polymers incorporating aurone side-group as photochemical active molecule. The aurone polymers were obtained by a three-step synthetic approach: (2Z)-6-hydroxy-2-(4-R-benzyliden)-1-benzofuran-3(2H)-ones were synthesized by using condensation reation of 6-hydroxybenzofuran-3-one with benzaldehydes; then methacrylate monomers were synthesized by reaction the alcohols with methacryloyl chloride; and the polymers were synthesized by free radical polymerization. Polymers were characterized by 1HNMR spectroscopy and DSC techniques. Their physicochemical properties are determined by absorption, fluorescence excitation and emission spectroscopies. 相似文献
23.
Andrii Mahun Sabina Abbrent Jiri Czernek Jan Rohlicek Hana Mackov Weihua Ning Rafa Konefa Jií Brus Libor Kobera 《Molecules (Basel, Switzerland)》2021,26(19)
Spikelets NMR spectra are very popular as they enable the shortening of experimental time and give the possibility to obtain required NMR parameters for nuclei with ultrawide NMR patterns. Unfortunately, these resulted ssNMR spectra cannot be fitted directly in common software. For this reason, we developed UWNMRSpectralShape (USS) software which transforms spikelets NMR patterns into single continuous lines. Subsequently, these reconstructed spectral envelopes of the (Q)CPMG spikelets patterns can be loaded into common NMR software and automatically fitted, independently of experimental settings. This allows the quadrupole and chemical shift parameters to be accurately determined. Moreover, it makes fitting of spikelets NMR spectra exact, fast and straightforward. 相似文献
24.
Dr. Chinna Ayya Swamy P Andrii Varenikov Dr. Graham de Ruiter 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(11):2333-2337
A chiral iridium carbene-oxazoline catalyst is reported that is able to directly and efficiently hydrogenate a wide variety of ketones in excellent yields and good enantioselectivity (up to 93 % ee). Moreover, when using racemic α-substituted ketones, excellent diastereoselectivities were obtained (dr 99:1) by dynamic kinetic resolution of the in situ formed enolate. Overall, the herein described hydrogenation occurs under ambient conditions using low hydrogen pressures, providing a direct and atom efficient method towards chiral secondary alcohols. 相似文献
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Erwan Nicol Thibault Derouineau Fanny Puaud Andrii Zaitsev 《Journal of polymer science. Part A, Polymer chemistry》2012,50(18):3885-3894
In this study, the polymerization of (2‐hydroxyethyl) acrylate (HEA), in polar media, using Cu(0)‐mediated radical polymerization also called single‐electron transfer–living radical polymerization (SET‐LRP) is reported. The kinetics aspects of both the homopolymerization and the copolymerization from a poly(ethylene oxide) (PEO) macroinitiator were analyzed by 1H NMR. The effects of both the ligand and the solvent were studied. The polymerization was shown to reach very high monomer conversions and to proceed in a well‐controlled fashion in the presence of tris[2‐(dimethylamino)ethyl]amine Me6‐TREN and N, N,N′, N″, N″‐pentamethyldiethylenetriamine (PMDETA) in dimethylsulfoxide (DMSO). SET‐LRP of HEA was also led in water, and it was shown to be faster than in DMSO. In pure water, Me6‐TREN allowed a better control over the molar masses and polydispersity indices than PMDETA and TREN. Double hydrophilic PEO‐b‐PHEA block copolymers, exhibiting various PHEA block lengths up to 100 HEA units, were synthesized, in the same manner, from a bromide‐terminated PEO macroinitiator. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012 相似文献
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Dr. Carmen Sousa Dr. Coen de Graaf Andrii Rudavskyi Dr. Ria Broer Dr. Jörg Tatchen Dr. Mihajlo Etinski Dr. Christel M. Marian 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(51):17541-17551
The mechanism of the light‐induced spin crossover of the [Fe(bpy)3]2+ complex (bpy=2,2′‐bipyridine) has been studied by combining accurate electronic‐structure calculations and time‐dependent approaches to calculate intersystem‐crossing rates. We investigate how the initially excited metal‐to‐ligand charge transfer (MLCT) singlet state deactivates to the final metastable high‐spin state. Although ultrafast X‐ray free‐electron spectroscopy has established that the total timescale of this process is on the order of a few tenths of a picosecond, the details of the mechanisms still remain unclear. We determine all the intermediate electronic states along the pathway from low spin to high spin and give estimates for the deactivation times of the different stages. The calculations result in a total deactivation time on the same order of magnitude as the experimentally determined rate and indicate that the complex can reach the final high‐spin state by means of different deactivation channels. The optically populated excited singlet state rapidly decays to a triplet state with an Fe d6(${{\rm t}{{5\hfill \atop {\rm 2g}\hfill}}}$ ${{\rm e}{{1\hfill \atop {\rm g}\hfill}}}$ ) configuration either directly or by means of a triplet MLCT state. This triplet ligand‐field state could in principle decay directly to the final quintet state, but a much faster channel is provided by internal conversion to a lower‐lying triplet state and subsequent intersystem crossing to the high‐spin state. The deactivation rate to the low‐spin ground state is much smaller, which is in line with the large quantum yield reported for the process. 相似文献
29.
Two novel complexes of CuCN were characterized by using a single-crystal X-ray diffraction technique and Raman spectroscopy. In the structure of 2CuCN·DMSO ligand molecule demonstrates unique bridging mode, being bound to two CuI centers via oxygen and sulfur atoms. The bridging role of both CN groups and DMSO molecules results in the formation of (CuCN·DMSO)n framework. Along the channels of the network are running infinite zig-zag (CuCN)n chains, which are bound to the framework by elongated Cu…(CN) bonds. A mixed-valence [CuII(DMSO)6][CuI 6(CN)8] compound is composed of 3-D [CuI 6(CN)8]n anionic framework and located in the channels of partially disordered [CuII(DMSO)6]2+ cations. 相似文献
30.
Andrii I. Subota Oleksiy S. Artamonov Alina Gorlova Dmitriy M. Volochnyuk Oleksandr O. Grygorenko 《Tetrahedron letters》2017,58(20):1989-1991
An approach to 5-substituted 6,7,8,9-tetrahydro-5H-pyrido[3,2-c]azepines via the cyclization of 1-(2-(3-azidopropyl)pyridin-3-yl)alkanones under Staudinger–aza-Wittig reaction conditions is described. The overall reaction sequence includes eight steps and allows for the preparation of gram quantities of the title products. In some cases, the formation of 5,7,8,9-tetrahydrooxepino[4,3-b]pyridine derivatives was observed. 相似文献