scholarly journals Enhanced catalytic reaction at an air–liquid–solid triphase interface

2020 ◽  
Vol 11 (12) ◽  
pp. 3124-3131 ◽  
Author(s):  
Liping Chen ◽  
Xinjian Feng

Gaseous reactant involved liquid–solid diphase interface reactions can be significantly enhanced using rationally designed and constructed air–liquid–solid triphase systems.

2019 ◽  
Author(s):  
Keiei Kumon ◽  
Masahiro Higashi ◽  
Shinji Saito ◽  
Shigehiko Hayashi

Many enzyme molecules exhibit characteristic global and slow dynamics which furnish them with allostery realizing remarkable molecular functionalities more than simple chemical catalysis. However, molecular mechanism of a catalytic reaction associated with the molecular flexibility of enzymes is not well-understood. Here we report a hybrid molecular simulation study on GTPase activity of a Ras-GAP protein complex for cell signaling termination. We unveiled that extensive conformational changes of the protein complex and exclusion of internal water molecules are induced upon the transition state (TS) formation in the catalytic reaction and significantly lower the reaction activation free energy. We also revealed that tumor-related mutations perturb those conformational changes upon the TS formation, leading to reduction of the catalytic activity. The findings of the remarkably dynamic protein conformation directly linking to the catalytic reaction have broad implications for understanding of enzyme mechanism and for developments of allosteric drugs and novel catalysts.


ChemInform ◽  
1989 ◽  
Vol 20 (22) ◽  
Author(s):  
O. M. NEFEDOV ◽  
A. E. VASIL'VITSKII ◽  
V. L. ZLATKINA ◽  
D. S. YUFIT ◽  
YU. T. STRUCHKOV ◽  
...  

Author(s):  
Reynier Suardíaz ◽  
Emily Lythell ◽  
Philip Hinchliffe ◽  
Marc van der Kamp ◽  
James Spencer ◽  
...  

Elucidation of the catalytic reaction mechanism of MCR-1 enzyme, responsible for the antimicrobial resistance to colistin, using DFT calculations on cluster models.


2021 ◽  
pp. 149766
Author(s):  
Yenan Liu ◽  
Jing Yang ◽  
Jie Yang ◽  
Li Wang ◽  
Yunsong Wang ◽  
...  

Metals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 196
Author(s):  
Yaqiang Li ◽  
Hongyu Zhou ◽  
Chunjing Wu ◽  
Zheng Yin ◽  
Chang Liu ◽  
...  

The coefficients of thermal expansion (CTE) and thermal conductivity (TC) are important for heat sink applications, as they can minimize stress between heat sink substrates and chips and prevent failure from thermal accumulation in electronics. We investigated the interface behavior and manufacturing of diamond/Cu composites and found that they have much lower TCs than copper due to their low densities. Most defects, such as cavities, form around diamond particles, substantially decreasing the high TC of diamond reinforcements. However, the measurement results for the Cu-coated diamond/Cu composites are unsatisfactory because the nanosized copper layer on the diamond surface grew and spheroidized at elevated sintering temperatures. Realizing ideal interfacial bonding between a copper matrix and diamond particles is difficult. The TC of the 40 vol.% Ti-coated diamond/Cu composite is 475.01 W m−1 K−1, much higher than that of diamond/Cu and Cu-coated diamond/Cu composites under equivalent manufacturing conditions. The minimally grown titanium layer retained its nanosized and was consistent with the sintering temperature. Depositing a nanosized titanium layer on a diamond surface will strengthen interfacial bonding through interface reactions among the copper matrix, nanosized titanium layer and diamond particles, reducing the interfacial thermal resistance and exploiting the high TC of diamond particles, even if defects from powder metallurgy remain. These results provide an important experimental and theoretical basis for manufacturing diamond/Cu composites for heat sink applications.


Catalysts ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 891
Author(s):  
Ken-ichi Fujita ◽  
Takayoshi Inoue ◽  
Toshiki Tanaka ◽  
Jaeyoung Jeong ◽  
Shohichi Furukawa ◽  
...  

A new catalytic system has been developed for hydrogen production from various monosaccharides, mainly glucose, as a starting material under reflux conditions in water in the presence of a water-soluble dicationic iridium complex bearing a functional bipyridine ligand. For example, the reaction of D-glucose in water under reflux for 20 h in the presence of [Cp*Ir(6,6′-dihydroxy-2,2′-bipyridine)(H2O)][OTf]2 (1.0 mol %) (Cp*: pentamethylcyclopentadienyl, OTf: trifluoromethanesulfonate) resulted in the production of hydrogen gas in 95% yield. In the present catalytic reaction, it was experimentally suggested that dehydrogenation of the alcoholic moiety at 1-position of glucose proceeded.


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