ChemInform Abstract: Catalytic Reaction of Dimethyl Diazomalonate with 2-Mono- and 2,5-Dialkyl(alkenyl)-Substituted Furans.

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


2001 ◽  
Vol 42 (34) ◽  
pp. 5841-5844 ◽  
Author(s):  
Timothy J Donohoe ◽  
Jean-Baptiste Guillermin ◽  
Andrew A Calabrese ◽  
Daryl S Walter

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 ◽  
...  

RSC Advances ◽  
2017 ◽  
Vol 7 (17) ◽  
pp. 10524-10528 ◽  
Author(s):  
Pulaganti Vijayaprasad ◽  
Avudoddi Venkanna ◽  
Medi Shanker ◽  
Eslavath Kishan ◽  
Pallapothula Venkateswar Rao

A simple, efficient and novel methodology has been developed for the synthesis of substituted furans mediated by triflic acid. In the reaction initial step involves the Friedel–Crafts arylation, followed by the dehydrative cyclization.


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.


2020 ◽  
Vol 3 (1) ◽  
pp. 57
Author(s):  
Luka Barešić ◽  
Davor Margetić ◽  
Zoran Glasovac

The cycloaddition strategy was employed in order to obtain a 7-oxanorbornene framework substituted with a guanidine moiety or its precursor functional groups: protected amine or thiourea. In order to optimize the conditions for the cycloaddition, several environmentally-friendly methods—microwave assisted organic synthesis, high pressure synthesis, high speed vibrational milling, and ultrasound assisted synthesis—were employed. The outcomes of the cycloaddition reactions were interpreted in terms of endo/exo selectivity, the conversion of the reactants to the product, and the isolated yields. In general, our results indicated the HP and HSVM approaches as the methods of choice to give good yields and conversions.


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