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排序方式: 共有504条查询结果,搜索用时 203 毫秒
1.
Structural Chemistry - The molecular mechanism of the cycloaddition reactions of 2H-azirine with 1-methoxybutadiene and cyclohexadiene has been studied at the M06-2X/cc-pVDZ level of theory.... 相似文献
2.
Moutab Sahihazar Milad Ahmadi Mohammad Taghi Nouri Mina Rahmani Meisam 《Journal of Solid State Electrochemistry》2019,23(6):1641-1650
Journal of Solid State Electrochemistry - Nanostructured carbon material (NSCM) based chemiresistive sensors are popular for sensing different analytes because of their high sensitivity, low cost,... 相似文献
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4.
Parham Dehghan Mina Noroozi Gity Mir Mohamad Sadeghi Mahbod Abrisham Arian Amirkiai Mahyar Panahi-Sarmad 《Journal of polymer science. Part A, Polymer chemistry》2020,58(21):3082-3094
The recent global pandemic and its tremendous effect on the price fluctuations of crude oil illustrates the side effects of petroleum dependency more evident than ever. Over the past decades, both academic and industrial communities spared endless efforts in order to replace petroleum-based materials with bio-derived resources. In the current study, a series of shape memory polymer composites (SMPC's) was synthesized from epoxidized vegetable oils, namely canola oil and castor oil fatty acids (COFA's) as a 100% bio-based polyol and isophorone diisocyanate (IPDI) as an isocyanate using a solvent/catalyst-free method in order to eventuate polyurethanes (PU's). Thereafter, graphene oxide (GO) nanoplatelets were synthesized and embedded in the neat PU in order to overcome the thermomechanical drawbacks of the neat matrix. The chemical structure of the synthesized components, as well as the dispersion and distribution levels of the nanoparticles, was characterized. In the following, thermal and mechanical properties as well as shape memory behavior of the specimens were comprehensively investigated. Likewise, the thermal conductivity was determined. This study proves that synthesized PU's based on vegetable oil polyols, including graphene nanoparticles, exhibit proper thermal and mechanical properties, which make them stand as a potential candidate to compete with traditional petroleum-based SMPC's. 相似文献
5.
Mina Jung Kyung Hyung Lee Prof. Dr. Jun Yeob Lee 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(21):4816-4821
Benzofurocarbazole moieties are commonly used donor structures in the design of thermally activated delayed fluorescence (TADF) emitters. However, only 5 H-benzofuro[3,2-c]carbazole (34BFCz) has been reported and, to the best of our knowledge, no other benzofurocarbazole derivatives have been covered in the literature. In the present study, two further benzofurocarbazole moieties, 12 H-benzofuro[3,2-a]carbazole (12BFCz) and 7 H-benzofuro[2,3-b]carbazole (23BFCz), have been synthesized to investigate the effect of the donor structure on the photophysics and device parameters of TADF emitters. Two benzofurocarbazole-derived TADF emitters, 12-(2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-12 H-benzofuro[3,2-a]carbazole (o12BFCzTrz) and 7-(2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-7 H-benzofuro[2,3-b]carbazole (o23BFCzTrz), have been compared with 5-(2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-5 H-benzofuro[3,2-c]carbazole (oBFCzTrz). The benzofurocarbazole donor structure governs the TADF characteristics, such as charge-transfer property and emission color. The 12BFCz donor has proved to be effective in blue-shifting the emission color, and 34BFCz has proven useful for improving the external quantum efficiency (EQE). The 12BFCz-derived o12BFCzTrz showed blue-shifted color coordinates of (0.159, 0.288), compared to (0.178, 0388) for o23BFCzTrz and (0.169, 0.341) for oBFCzTrz. The 34BFCz-derived oBFCzTrz exhibited an EQE of 22.9 %, compared to 19.2 % for o12BFCzTrz and 21.1 % for o23BFCzTrz. 相似文献
6.
A 2D hole‐type hexagonal lattice photonic crystal is utilized, herein, to detect the refractive index change of the material infiltrated into the designed circular sensing area which also resembles a ring resonator. The accuracy of the detection process is enhanced considering the simultaneous shift of the resonance wavelengths and the intensity modulation which occur in two separate spectral regions. The presented structure has the ability to detect liquids, material concentrations in fluids and gases having refractive indices in the range of n = 1–2 with sensitivity and quality factor of 61 nm/RIU and 3000, respectively, for resonance‐wavelength‐shift‐based operation. The detection range of n = 1–1.4 with the sensitivity of S = 0.69 NI/RIU is achieved for the intensity‐based measurement and the results show good linearity in the operating range. 相似文献
7.
Structural Chemistry - Adsorption and reaction mechanisms for the noncovalent and covalent functionalization of SiO2 nanoparticle (SiNP) with gemcitabine (GEM) anticancer drug have been... 相似文献
8.
Molecular dynamics simulations and umbrella sampling have been used to investigate the sliding of distamycin anticancer drug along the DNA minor groove. The potential energy surface calculated for the sliding of drug shows three minima. The global minimum corresponds to the binding of drug to the AT-rich region, which is the origin of sequence selectivity of distamycin. This selectivity originates from both structural factors and energy contributions. The analysis of energy contributions of binding was performed by the MM–PBSA method. The analysis of hydrogen bonds and van der Waals, electrostatic, and solvation interactions show that structural or steric factors are more important in the selectivity of distamycin than energetic factors. The results of this study can be applied in the design of new derivatives of distamycin anticancer drug with improved properties. 相似文献
9.
Dr. Lun An Patricia De La Torre Dr. Peter T. Smith Dr. Mina R. Narouz Prof. Christopher J. Chang 《Angewandte Chemie (International ed. in English)》2023,62(5):e202209396
We present a supramolecular approach to catalyzing photochemical CO2 reduction through second-sphere porosity and charge effects. An iron porphyrin box ( PB ) bearing 24 cationic groups, FePB-2(P) , was made via post-synthetic modification of an alkyne-functionalized supramolecular synthon. FePB-2(P) promotes the photochemical CO2 reduction reaction (CO2RR) with 97 % selectivity for CO product, achieving turnover numbers (TON) exceeding 7000 and initial turnover frequencies (TOFmax) reaching 1400 min−1. The cooperativity between porosity and charge results in a 41-fold increase in activity relative to the parent Fe tetraphenylporphyrin ( FeTPP ) catalyst, which is far greater than analogs that augment catalysis through porosity ( FePB-3(N ), 4-fold increase) or charge (Fe p-tetramethylanilinium porphyrin ( Fe-p-TMA ), 6-fold increase) alone. This work establishes that synergistic pendants in the secondary coordination sphere can be leveraged as a design element to augment catalysis at primary active sites within confined spaces. 相似文献
10.
Prof. Dr. Carmine Capacchione Prof. Dr. Fabia Grisi Prof. Dr. Marina Lamberti Prof. Dr. Mina Mazzeo Prof. Dr. Barbara Milani Prof. Dr. Stefano Milione Prof. Dr. Daniela Pappalardo Prof. Dr. Cristiano Zuccaccia Prof. Dr. Claudio Pellecchia 《欧洲无机化学杂志》2023,26(6):e202200644
Metal catalyzed polymerizations are among the most important chemical reactions, accounting for the production of about 400 million tons per year of polymeric materials, 50 % of which are polyolefins. The CIRCC research units at the University of Salerno, founded by the late Professor Adolfo Zambelli, a coworker of Giulio Natta and a pioneer in the studies of stereospecific polymerization catalysts, has a consolidated expertise in this field. Although often considered a “mature” area of research, olefin polymerization catalysis continues to drive great interest of both industrial and academic scientists. On the other hand, strong political and economic pressure toward the development of “green” and possibly biodegradable alternatives to olefin-based polymers stimulated our group to direct increasing research efforts in the area of sustainable polymers. In this perspective, we focus on the most recent work from the CIRCC research units involved in homogeneous catalysis for polymerization of a variety of monomers, with the aim to address how the concepts and the expertise developed for olefin polymerization can be applied to the development of different metal-catalyzed polymerizations and copolymerizations. Of course, although the results are discussed in the frame of the most important literature contributions, a comprehensive review of such a wide and diversified topic is out of the scope of the paper. References to reviews covering the different types of metal catalyzed polymerizations are provided in each chapter. 相似文献