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排序方式: 共有66条查询结果,搜索用时 78 毫秒
1.
Dr. Manussada Ratanasak Takumi Murata Taishin Adachi Prof. Jun-ya Hasegawa Prof. Tadashi Ema 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(58):e202202210
BPh3 catalyzes the N-methylation of secondary amines and the C-methylenation (methylene-bridge formation between aromatic rings) of N,N-dimethylanilines or 1-methylindoles in the presence of CO2 and PhSiH3; these reactions proceed at 30–40 °C under solvent-free conditions. In contrast, B(C6F5)3 shows little or no activity. 11B NMR spectra suggested the generation of [HBPh3]−. The detailed mechanism of the BPh3-catalyzed N-methylation of N-methylaniline ( 1 ) with CO2 and PhSiH3 was studied by using DFT calculations. BPh3 promotes the conversion of two substrates (N-methylaniline and CO2) into a zwitterionic carbamate to give three-component species [Ph(Me)(H)N+CO2−⋅⋅⋅BPh3]. The carbamate and BPh3 act as the nucleophile and Lewis acid, respectively, for the activation of PhSiH3 to generate [HBPh3]−, which is used to produce key CO2-derived species, such as silyl formate and bis(silyl)acetal, essential for the N-methylation of 1 . DFT calculations also suggested other mechanisms involving water for the generation of [HBPh3]− species. 相似文献
2.
Hasegawa JY Takata K Miyahara T Neya S Frisch MJ Nakatsuji H 《The journal of physical chemistry. A》2005,109(14):3187-3200
Excited states of free-base porphyrin isomers, porphycene (Pc), corrphycene (Cor), and hemiporphycene (hPc), were studied by the Symmetry-Adapted Cluster (SAC)/SAC-Configuration Interaction (CI) method. The absorption peaks of the porphyrin isomers were assigned on the basis of the SAC-CI spectra. The X, Y, X', and Y' bands of the porphyrin isomers, which have weak intensities, are identified. The differences in the Q-band absorptions among the isomers were clearly explained by the four-orbital model. In Cor and hPc, the wave function of the B-band corresponds to the mixture of the four-orbital excitations and the optically forbidden excitation of free-base porphin (P), due to the molecular symmetry lowering in the isomers. The B-band character is described by the five-orbital model in Pc and the six-orbital model in Cor and hPc. Two tetrazaporphycenes and two ring-extended (dibenzo) porphycenes were designed, and the Q-band transition moment was successfully controlled. These examples show that the control of the four-orbital energy levels is the guiding principle for pigment design in porphyrin compounds. 相似文献
3.
Unlike micelles of straight hydrocarbon chain-surfactants, isoprenoid surfactants, CH3 [CH(CH3)CH2CH2CH2]3 CH(CH3)CH2–R (R=CH2N+ (CH3)3 Br–, CH2OPO3H– Na+, CH2OSO
3
–
Na+, CO
2
–
Na+), gave large globular and cellular assemblies in water which could be observed directly by transmission electron microscopy; critical micelle concentration of 0.31.4×10–3 M at 20°C, aggregation number of 215×104, and diameter of 200–2000 Å. A basic structure of the assemblies was a thin layer with a thickness (about 30 Å) which was close to the molecular length of the surfactants. The assemblies were decomposed during gel column chromatography; viz., they were not as stable as the liposomes of lecithins. The morphology was discussed in conjunction with a steric effect of the isoprenoid chain. 相似文献
4.
5.
In the presence of a Ni/phosphine ligand catalyst, dimethylzinc, alkyne, butadiene, aldehyde, and primary amine were successively combined via dimerization of butadiene to provide (3E,7E,10Z)-dodecatrienylamine in good yields with excellent regio and stereoselectivities. 相似文献
6.
Saya Nakabayashi Katsunori Nagano Makoto Nakamura Junya Togawa Asami Kurokawa 《Adsorption》2011,17(4):675-686
The aim of this study is the development of a new adsorbent for the desiccant material which can be regenerated by the domestic
exhaust heat by using natural mesoporous material, Wakkanai siliceous shale. To improve this shale’s performance to adsorb/desorb
the water vapor, lithium chloride, calcium chloride or sodium chloride was supported into the mesopores by impregnating with
each chloride solution. Especially sodium chloride was effective to increase the water vapor adsorption amount 5–7 times of
that of natural shale in the relative humidity range from 50 to 70%. Moreover, the appropriate impregnating concentrations
were determined as 5wt% from the relationship between the maximum water vapor adsorption amount and the mesopore volume. Based
on these results, a new desiccant filter has been developed by impregnated original paper with lithium chloride and sodium
chloride. This paper contained shale powder in the synthetic fibers. The dehumidification performance of this filter was evaluated
under the simulated summer condition in Tokyo. From the cyclic adsorption/regeneration test, this shale and chlorides filter
could adsorb and desorb 60 g/h water vapor repeatedly at the regeneration temperature of 40°C. On the other hand, a silica
gel filter and a zeolite filter adsorbed and desorbed only 10 g/h and 25 g/h, respectively. These results suggested that the
shale impregnated with the chlorides has the best dehumidification ability as a new desiccant material. Further, the desiccant
filter made from the shale will achieve the effective use of the low temperature exhaust heat. 相似文献
7.
8.
Jun-ya Gotoh Yoshitsugu Yamamoto Weifeng Yao 《Journal of Optimization Theory and Applications》2011,151(3):613-632
We generalize the notion of arbitrage based on the coherent risk measure, and investigate a mathematical optimization approach
for tightening the lower and upper bounds of the price of contingent claims in incomplete markets. Due to the dual representation
of coherent risk measures, the lower and upper bounds of price are located by solving a pair of semi-infinite linear optimization
problems, which further reduce to linear optimization when conditional value-at-risk (CVaR) is used as risk measure. We also
show that the hedging portfolio problem is viewed as a robust optimization problem. Tuning the parameter of the risk measure,
we demonstrate by numerical examples that the two bounds approach to each other and converge to a price that is fair in the
sense that seller and buyer face the same amount of risk. 相似文献
9.
Depending on protein environment, a single photofunctional chromophore shows a wide variation of photoabsorption/emission energies. This photobiological phenomenon, known as color tuning, is observed in human visual cone pigments, firefly luciferase, and red fluorescent protein. We investigate the origin of color tuning by quantum chemical calculations on the excited states: symmetry-adapted cluster-configuration interaction (SAC-CI) method for excited states and a combined quantum mechanical (QM)/molecular mechanical (MM) method for protein environments. This Minireview summarizes our theoretical studies on the above three systems and explains a common feature of their color-tuning mechanisms. It also discuss the possibility of artificial color tuning toward a rational design of photoabsorption/emission properties. 相似文献
10.
A simple high‐performance liquid chromatography for the determination of linezolid in human plasma and saliva
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Shuuji Hara Masanobu Uchiyama Masami Yoshinari Taichi Matsumoto Shiro Jimi Atsushi Togawa Tohru Takata Yasushi Takamatsu 《Biomedical chromatography : BMC》2015,29(9):1428-1431
Linezolid is an antimicrobial agent for the treatment of multiresistant Gram‐positive infections. A practical high‐performance liquid chromatography method was developed for the determination of linezolid in human plasma and saliva. Linezolid and an internal standard (o‐ethoxybenzamide) were extracted from plasma and saliva with ethyl acetate and analyzed on a Capcell Pak C18 MG column with UV detection at 254 nm. The calibration curve was linear through the range 0.5–50 µg/mL using a 200 μL sample volume. The intra‐ and interday precisions were all <6.44% for plasma and 5.60% for saliva. The accuracies ranged from 98.8 to 110% for both matrices. The mean recoveries of linezolid were 80.8% for plasma and 79.0% for saliva. This method was used to determine the plasma and saliva concentrations of linezolid in healthy volunteers who were orally administered a 600 mg dose of linezolid. Our liquid–liquid extraction procedure is easy and requires a small volume of plasma or saliva (200 μL). This small volume can be advantageous in clinical pharmacokinetic studies, especially if children participate. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献