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81.
We proposed a novel kinetic energy decomposition analysis based on information theory. Since the Hirshfeld partitioning for electron densities can be formulated in terms of Kullback–Leibler information deficiency in information theory, a similar partitioning for kinetic energy densities was newly proposed. The numerical assessments confirm that the current kinetic energy decomposition scheme provides reasonable chemical pictures for ionic and covalent molecules, and can also estimate atomic energies using a correction with viral ratios. 相似文献
82.
83.
Absorption and photoluminescence (PL) spectra, PL quantum efficiency, and PL lifetime have been investigated on bis(8-hydroxyquinoline)
zinc (Znq2) and magnesium (Mgq2) in solutions and powder. Znq2 and Mgq2 have the lowest-energy absorption band at 376 and 396 nm in acetonitrile solution, respectively, and emission band with peak
at 555 and 480 nm. The PL quantum efficiency is 0.03 and 0.45 for Znq2 and Mgq2 in the solution, respectively, while 0.45 and 0.36 in powder. Unlike the case of powders, two PL lifetimes are obtained in
solutions. The longer lifetime is attributed to molecule having interaction with its neighboring molecule, while the shorter
one to the isolated single molecule. 相似文献
84.
The paper concerns characterization of BMO in terms of Banach function spaces. In particular, we are interested in characterizing BMO by using the variable Lebesgue norm. 相似文献
85.
Yoshino Katsurayama Prof. Yasuhiro Ikabata Prof. Hajime Maeda Prof. Masahito Segi Prof. Hiromi Nakai Prof. Taniyuki Furuyama 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(2):e202103223
The high penetration of near-infrared (NIR) light makes it effective for use in selective reactions under light-shielded conditions, such as in sealed reactors and deep tissues. Herein, we report the development of phthalocyanine catalysts directly activated by NIR light to transform small organic molecules. The desired photocatalytic properties were achieved in the phthalocyanines by introducing the appropriate peripheral substituents and central metal. These phthalocyanine photocatalysts promote cross-dehydrogenative-coupling (CDC) under irradiation with 810 nm NIR light. The choice of solvent is important, and a mixture of a reaction-accelerating (pyridine) and -decelerating (methanol) solvents was particularly effective. Moreover, we demonstrate photoreactions under visible-light-shielded conditions through the transmission of NIR light. A combined experimental and computational mechanistic analysis revealed that this NIR reaction does not involve a photoredox-type mechanism with electron transfer, but instead a singlet-oxygen-mediated mechanism with energy transfer. 相似文献
86.
Deringoz Fatih Guliyev Vagif S. Nakai Eiichi Sawano Yoshihiro Shi Minglei 《Positivity》2019,23(3):727-757
Positivity - In the present paper, we will characterize the boundedness of the generalized fractional integral operators $$I_{\rho }$$ and the generalized fractional maximal operators $$M_{\rho }$$... 相似文献
87.
Makoto Obata Ryo Asato Kazunori Mitsuo Shiho Hirohara 《Journal of polymer science. Part A, Polymer chemistry》2014,52(7):963-972
Three CF3‐substituted methyl methacrylates (MMAs), 2,2,2‐trifluoroethyl methacrylate (TFEMA), 1,1,1,3,3,3‐hexafluoroisopropyl methacrylate (HFIPMA) and nonafluoro‐tert‐butyl methacrylate (NFTBMA), were polymerized by conventional radical polymerization to give oxygen‐permeable polymers for application in pressure‐sensitive paint (PSP). The radical copolymerizations of styrene with TFEMA, HFIPMA, or NFTBMA were carried out to examine the effect of CF3 groups on the polymerizability. The e values increased in the order of MMA (0.40) < TFEMA (0.76) < HFIPMA (1.19) < NFTBMA (1.31). The homopolymers of TFEMA, HFIPMA and NFTBMA (PTFEMA, PHFIPMA, and PNFTBM, respectively) were examined as polymers for use in PSP using 5,10,15,20‐tetrakis(pentafluorophenyl)porphinato platinum(II) (PtTFPP). The PSP consisting of PNFTBMA and PtTFPP exerted very high pressure sensitivity and very low temperature sensitivity. In the absence of oxygen, the temperature sensitivity decreased in the order of PTFEMA > PHFIPMA > PNFTBMA = PMMA, which corresponds to the order of glass transition temperatures (Tg). However, the activation energies of the overall process of the luminescence quenching by oxygen were found to be 16.8 (PMMA), 13.0 (PTFEMA), 6.8 (PHFIPMA), and 4.3 kJ mol?1 (PNFTBMA). Therefore, the low temperature sensitivity of PNFTBMA was attributed to its high degree of substitution with CF3 groups and to its relatively high Tg value. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2014 , 52, 963–972 相似文献
88.
Naomichi Furukawa Mitsuo Fukumura Takehiko Nishio Shigeru Oae 《Phosphorus, sulfur, and silicon and the related elements》2013,188(2):231-237
Abstract Various N-acyldiphenylsulfilimines (1a-k) were found to undergo photolysis in argon atmosphere, to afford the corresponding isocyanates, diphenyl sulfide and diphenyl disulfide. Attempts to trap intramolecularly the acylnitrene with olefinic linkage or sulfide afforded small amounts of the trapped products, whereas photolysis of N-mesitoyldiphenyl-sulfilimine (Ia) afforded a C–H inserted product of the nitrene in a substantial yield together with the isocyanate. Benzophenone-sensitized photolysis of Ia indicates that the nitrene generated is a singlet species. 相似文献
89.
Kanako Sekimoto Mitsuo Takayama 《Journal of the American Society for Mass Spectrometry》2013,24(5):780-788
Collision-induced dissociation (CID) experiments were performed on atmospheric ion adducts [M + R]– formed between various types of organic compounds M and atmospheric negative ions R- [such as O2 –, HCO3 –, COO–(COOH), NO2 –, NO3 –, and NO3 –(HNO3)] in negative-ion mode atmospheric pressure corona discharge ionization (APCDI) mass spectrometry. All of the [M + R]– adducts were fragmented to form deprotonated analytes [M – H]– and/or atmospheric ions R–, whose intensities in the CID spectra were dependent on the proton affinities of the [M – H]– and R– fragments. Precursor ions [M + R]– for which R- have higher proton affinities than [M – H]– formed [M – H]– as the dominant product. Furthermore, the CID of the adducts with HCO3 – and NO3 -(HNO3) led to other product ions such as [M + HO]– and NO3 –, respectively. The fragmentation behavior of [M + R]– for each R– observed was independent of analyte type (e.g., whether the analyte was aliphatic or aromatic, or possessed certain functional groups). 相似文献
90.
Abstract Many polysaccharides are expected to apply as biomaterials because they generally show good biocompatibilities and biodegradabilities. It has recently been reported that the saccharides play important roles in biological recognition and the transmission of biological information on a cellar surface. Galactomannan (GalM) is a polysaccharide whose main chain is composed of β-1,4-linked mannose units only. It has some branching α-galactose residues at the C-6 position of mannose units. Therefore, it was of interest of us to use GalM as a drug carrier which was targeted to hepatocyte having a galactose receptor on its cellar surface. Dicarboxy-galactomannan (DC-GalM), which has reactive functional groups and is a carboxylic acid derivative of galactomannan, was prepared by IO4-/CIO2- oxidation of GalM. The obtained DC-GalM showed specific binding with maclura pomifera (MPA) [1] which has a specificity to α-galactose. Moreover, DC-GalM showed selective incorporation into hepatocyte. Adriamycine (ADR), which is one of the most prominent anticancer agents, was immobilized to DC-GalM. The DC-GalM/ADR conjugate showed specific cytotoxic activity against HepG2 human hepatoma cells which have a galactose receptor on the cell surface, compared with Hela utrocervical carcinoma cells which have no galactose receptor. 相似文献