The Δν = 3, 4, and 5 Vibrational Overtones and Conformations of the Hydroxyl Group of Isobutyl Alcohol

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%.

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Supramolecular Structure of Self-assembled Synthetic Zinc-131-oxo-chlorins Possessing a Primary, Secondary or Tertiary Alcoholic 31-Hydroxyl Group: Visible Spectroscopic and Molecular Modeling Studies¶

Photochemistry and Photobiology ◽

10.1562/0031-8655(2001)073<0153:ssosas>2.0.co;2 ◽

2001 ◽

Vol 73 (2) ◽

pp. 153 ◽

Cited By ~ 36

Author(s):

Shiki Yagai ◽

Tomohiro Miyatake ◽

Yoshiyuki Shimono ◽

Hitoshi Tamiaki

Keyword(s):

Molecular Modeling ◽

Supramolecular Structure ◽

Hydroxyl Group ◽

Modeling Studies ◽

Molecular Modeling Studies ◽

Self Assembled

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Faculty Opinions recommendation of Chemical engineering of the peptidyl transferase center reveals an important role of the 2'-hydroxyl group of A2451.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1025737.305742 ◽

2005 ◽

Author(s):

Arcady Mushegian

Keyword(s):

Chemical Engineering ◽

Hydroxyl Group ◽

Peptidyl Transferase ◽

Peptidyl Transferase Center

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

Current Organic Chemistry ◽

10.2174/1385272823666191001224741 ◽

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.

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

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207323666200120112714 ◽

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.

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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.

Current Drug Discovery Technologies ◽

10.2174/1570163817666200102130415 ◽

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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Design, Synthesis, and Pharmacokinetic Evaluation of O-Carbamoyl Tizoxanide Prodrugs

Medicinal Chemistry ◽

10.2174/1573406416666201120102905 ◽

2020 ◽

Vol 16 ◽

Author(s):

Xi He ◽

Wenjun Hu ◽

Fanhua Meng ◽

Xingzhou Li

Keyword(s):

Plasma Concentration ◽

Broad Spectrum ◽

Plasma Concentrations ◽

Antiviral Drug ◽

Systemic Exposure ◽

Pharmacokinetic Profile ◽

Hydroxyl Group ◽

First Pass

Background: The broad-spectrum antiparasitic drug nitazoxanide (N) has been repositioned as a broad-spectrum antiviral drug. Nitazoxanide’s in vivo antiviral activities are mainly attributed to its metabolitetizoxanide, the deacetylation product of nitazoxanide. In reference to the pharmacokinetic profile of nitazoxanide, we proposed the hypotheses that the low plasma concentrations and the low system exposure of tizoxanide after dosing with nitazoxanide result from significant first pass effects in the liver. It was thought that this may be due to the unstable acyloxy bond of nitazoxanide. Objective: Tizoxanide prodrugs, with the more stable formamyl substituent attached to the hydroxyl group rather than the acetyl group of nitazoxanide, were designed with the thought that they might be more stable in plasma. It was anticipated that these prodrugs might be less affected by the first pass effect, which would improve plasma concentrations and system exposure of tizoxanide. Method: These O-carbamoyl tizoxanide prodrugs were synthesized and evaluated in a mouse model for pharmacokinetic (PK) properties and in an in vitro model for plasma stabilities. Results: The results indicated that the plasma concentration and the systemic exposure of tizoxanide (T) after oral administration of O-carbamoyl tizoxanide prodrugs were much greater than that produced by equimolar dosage of nitazoxanide. It was also found that the plasma concentration and the systemic exposure of tizoxanide glucuronide (TG) were much lower than that produced by nitazoxanide. Conclusion: Further analysis showed that the suitable plasma stability of O-carbamoyl tizoxanide prodrugs is the key factor in maximizing the plasma concentration and the systemic exposure of the active ingredient tizoxanide.

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Collagen And Carbon-Ferrous Nanoparticles Used As A Green Energy Composite Material For Energy Storage Devices

Current Materials Science ◽

10.2174/2666145413666201207202502 ◽

2020 ◽

Vol 13 ◽

Author(s):

Inbasekaran S. ◽

G. Thiyagarajan ◽

Ramesh C. Panda ◽

S. Sankar

Keyword(s):

Composite Material ◽

Thermo Gravimetric Analysis ◽

Value Added ◽

Green Energy ◽

Nano Particles ◽

Hydroxyl Group ◽

Gravimetric Analysis ◽

Circuit Testing ◽

Battery Cell ◽

Dc Voltage

Background:: Chrome shavings, a bioactive material, are generated from tannery as waste material. These chrome shaving can be used for the preparation of many value-added products. Objective:: One such attempt is made to use these chrome shaving wastes as a composite bio-battery to produce DC voltage, an alternate green energy source and cleaner technology. Methods:: Chrome shavings are hydrolyzed to make collagen paste and mixed with the ferrous nanoparticles of Moringa oleifera leaves and Carbon nanoparticles of Onion peels to form electrolyte paste as base. Then, the electrolyte base was added to the aluminum paste and conducting gel, and mixed well to form composite material for bio-battery. Results:: The composite material of bio-battery has been characterized using Scanning Electron Microscopy (SEM), Fourier-Transform Infrared Spectroscopy (FTIR), Differential Scanning Calorimetry (DSC) and Thermo Gravimetric Analysis (TGA). Series and parallel circuit testing were done using Copper and Zinc electrodes or Carbon and Zinc electrodes as the battery terminals in the electrolyte paste. The surface area of these electrodes needs standardization from bench to pilot scale. The power generated, for an AA battery size, using a single bio-battery cell has produced a DC voltage of 1.5 V; current of 900 mA. Circuit testing on 1 ml of 80 well-cells connected in series has produced DC output of 18 V and 1100 mA whereas 48 V and 1500 mA were obtained from a series-parallel connection. Conclusion:: The glass transition temperature (Tg) of electrolyte of the bio-battery at 53°C indicates that, at this temperature, all the substances present in the bio-battery are well spread and contributing consistently to the electrolyte activity where Fe-C-Nano-Particles were able to form strong chemical bonds on the flanking hydroxyl group sites of the Collagen leading to reduced mobility of polymers and increase Tg. The results instigate promising trends for commercial exploitation of this composite for bio-battery production.

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