Hydroxyl Group Catalysis. IV. The Mechanism of Intramolecular Participation of the Aliphatic Hydroxyl Group in Amide Hydrolysis

1962 ◽  
Vol 84 (3) ◽  
pp. 365-370 ◽  
Author(s):  
Thomas C. Bruice ◽  
Fritz-Hans. Marquardt
Keyword(s):  
Hydroxyl Group ◽  
Amide Hydrolysis

Neighboring Hydroxyl Group Assistance. VI. In Amide Hydrolysis

1965 ◽  
Vol 30 (5) ◽  
pp. 1668-1669 ◽  
Author(s):  
Thomas C. Bruice ◽  
Donald W. Tanner
Keyword(s):  
Hydroxyl Group ◽  
Amide Hydrolysis

Detection method of combustion oscillation characteristics under strong noise background

2020 ◽  
Vol 21 (6) ◽  
pp. 612
Author(s):  
Yunkun Wei ◽  
Tianhong Zhang ◽  
Zhonglin Lin ◽  
Qi Xie ◽  
Yan Zhang
Keyword(s):  
Radiation Thermometry ◽  
Hydroxyl Group ◽  
Interference Signal ◽  
Engine Vibration ◽  
Combustion Technology ◽  
Lean Fuel ◽  
Combustion Oscillation ◽  
Aero Engines ◽  
Temperature Measurement System ◽  
Multispectral Radiation Thermometry

After the lean fuel premixed combustion technology is applied to aero engines, severe combustion oscillations will be cased and led to hidden safety hazards such as engine vibration, further energy waste and other problems. Therefore, it is increasingly important to actively control combustion oscillations. In this paper, a multispectral radiation thermometry (MRT) is used to analyze the hydroxyl group, which is a measurable research object in the combustion chamber of an aero engine, and to fit the functional relationship between the radiation intensity ratio and the temperature in different bands. The theoretical value of the error is <2%. At the same time, in order to solve the problem of weak detection signal and excessive interference signal, an improved frequency domain filtering method based on fast Fourier transform is designed. Besides, the FPGA platform is used to ensure the real-time performance of the temperature measurement system, and simulations and experiments are performed. An oscillating signal with an oscillation frequency of 315 Hz is obtained on the established test platform, and the error is only 1.42%.

α-Glucosidase Inhibition and Docking Studies of 5-Deoxyflavonols and Dihydroflavonols Isolated from Abutilon pakistanicum

2019 ◽  
Vol 23 (17) ◽  
pp. 1857-1866
Author(s):  
Munawar Hussain ◽  
Zaheer Ahmed ◽  
Shamsun N. Khan ◽  
Syed A. A. Shah ◽  
Rizwana Razi ◽  
...  
Keyword(s):  
Methanolic Extract ◽  
Docking Studies ◽  
Hydroxyl Group ◽  
Coumaric Acid ◽  
In Vitro Activity ◽  
Aerial Parts ◽  
First Time ◽  
Acid Esters ◽  
Phenol Moiety

Three new 5-deoxyflavonoid and dihydroflavonoids 2, 3 and 4 have been isolated from the methanolic extract of Abutioln pakistanicum aerial parts, for which structures were elucidated explicitly by extensive MS- and NMR-experiments. In addition to these, 3,7,4′-trihydroxy-3′-methoxy flavonol (1) is reported for the first time from Abutioln pakistanicum. Compound 2 and 4 are p-coumaric acid esters while compounds 2–4 exhibited α-glucosidase inhibitory activity. Docking studies indicated that the ability of flavonoids 2, 3 and 4 to form multiple hydrogen bonds with catalytically important residues is decisive hence is responsible for the inhibition activity. The docking results signified the observed in-vitro activity quite well which is in accordance with previously obtained conclusion that phenol moiety and hydroxyl group are critical for the inhibition of α-glucosidase enzyme.

Combinatorial Synthesis of Novel 9R-Acyloxyquinine Derivatives as Insecticidal Agents

2020 ◽  
Vol 23 (2) ◽  
pp. 111-118
Author(s):  
Zhiping Che ◽  
Jinming Yang ◽  
Di Sun ◽  
Yuee Tian ◽  
Shengming Liu ◽  
...  
Keyword(s):  
Natural Products ◽  
Double Bond ◽  
Insecticidal Activity ◽  
Structural Modification ◽  
Combinatorial Synthesis ◽  
Hydroxyl Group ◽  
Botanical Insecticide ◽  
Mythimna Separata ◽  
Lead Compounds

Background: It is one of the effective ways for pesticide innovation to develop new insecticides from natural products as lead compounds. Quinine, the main alkaloid in the bark of cinchona tree as well as in plants in the same genus, is recognized as a safe and potent botanical insecticide to many insects. The structural modification of quinine into 9R-acyloxyquinine derivatives is a potential approach for the development of novel insecticides, which showed more toxicity than quinine. However, there are no reports on the insecticidal activity of 9Racyloxyquinine derivatives to control Mythimna separata. Methods: Endeavor to discover biorational natural products-based insecticides, 20 novel 9Racyloxyquinine derivatives were prepared and assessed for their insecticidal activity against M. separata in vivo by the leaf-dipping method at 1 mg/mL. Results: Among all the compounds, especially derivatives 5i, 5k and 5t exhibited the best insecticidal activity with final mortality rates of 50.0%, 57.1%, and 53.6%, respectively. Conclusion: Overall, a free 9-hydroxyl group is not a prerequisite for insecticidal activity and C9- substitution is well tolerated; modification of out-ring double-bond is acceptable, and hydrogenation of double-bond enhances insecticidal activity; Quinine ring is essential and open of it is not acceptable. These preliminary results will pave the way for further modification of quinine in the development of potential new insecticides.

The Influence of Hydrogen atoms on the Performance of Radial Distribution Function Based Descriptors in the Chemoinformatic Studies of HIV-1 Prote-ase Complexes with Inhibitors.

2020 ◽  
Vol 17 ◽  
Author(s):  
Jurica Novak ◽  
Maria A. Grishina ◽  
Vladimir A. Potemkin
Keyword(s):  
Distribution Function ◽  
Radial Distribution Function ◽  
Radial Distribution ◽  
Current Model ◽  
Direct Interaction ◽  
Hydroxyl Group ◽  
Linear Regression Method ◽  
Hydrogen Atoms ◽  
Protease Enzyme ◽  
Hiv 1

: In this letter the newly introduced approach based on the radial distribution function (RDF) weighted by the number of va-lence shell electrons is applied for a series of HIV-1 protease enzyme and its complexes with inhibitors to evaluate the influ-ence of hydrogen atoms on the performance of the model. The multiple linear regression method was used for the selection of the relevant descriptors. Two groups of residues having dominant contribution to the RDF descriptor are identified as relevant for the inhibition. In the first group are residues like Arg8, Asp25, Thr26, Gly27 and Asp29, which establish direct interaction with the inhibitor, while the second group consists of the amino acids at the interface of the two homodimer sub-units or with the solvent. The crucial motif pointed out by our approach as the most important for inhibition of the enzyme’s activity and present in all inhibitors is hydroxyl group that establish hydrogen bond with Asp25 side chain. Additionally, the comparison to the model without hydrogen showed that both models are of similar quality, but the downside of the current model is the need for the determination of residues’ protonation states.

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