scholarly journals Hydroxyl Groups on Annular Ring-B Dictate the Affinities of Flavonol–CCL2 Chemokine Binding Interactions

ACS Omega ◽  
2021 ◽  
Author(s):  
Nidhi Joshi ◽  
Deepak Kumar Tripathi ◽  
Nupur Nagar ◽  
Krishna Mohan Poluri
Keyword(s):  
Hydroxyl Groups ◽  
Binding Interactions ◽  
Annular Ring

Bleaching ability of pre-hydrolyzed pulps in the context of a biorefinery mill

TAPPI Journal ◽  
2013 ◽  
Vol 12 (11) ◽  
pp. 49-53 ◽  
Author(s):  
CHRISTINE CHIRAT ◽  
LUCIE BOIRON ◽  
DOMINIQUE LACHENAL
Keyword(s):  
Carbon Content ◽  
Acid Hydrolysis ◽  
13C Nmr ◽  
Kraft Lignin ◽  
Kappa Number ◽  
Hydroxyl Groups ◽  
Kraft Pulps ◽  
Quaternary Carbon ◽  
Oxygen Delignification

Autohydrolysis and acid hydrolysis treatments were applied on mixed softwood chips. The cooking ability was studied by varying the alkali and duration of the cook. Pulps with kappa numbers varying from 30 to 70 were obtained. The bleaching ability of these pulps was studied and compared to control kraft pulps. The prehydrolyzed pulps were shown to be more efficiently delignified by oxygen than the control kraft pulps starting from the same kappa number. Furthermore, the final bleaching was also easier for these pulps. It was also shown that extensive oxygen delignification applied on high-kappa pre-hydrolyzed pulps could be a way to improve the overall yield, which is a prerequisite for the development of such biorefinery concepts. Lignin was isolated from the control kraft and the two pre-hydrolyzed kraft pulps and analyzed by 13C NMR. Lignins from pre-hydrolyzed kraft pulps had similar free phenolic groups content to the control kraft lignin, but their aliphatic hydroxyl groups and β-O-4 content were lower than for the control lignin. The quaternary carbon content was the same for all the samples.

Synthesis and antimicrobial properties of oligomeric silsesquioxanes containing quaternized nitrogen atoms and hydroxyl groups in organic shell

2017 ◽  
Vol 39 (3) ◽  
pp. 188-194
Author(s):  
M.A. Gumenna ◽  
◽  
N.S. Klimenko ◽  
A.V. Stryutsky ◽  
D.M. Hodyna ◽  
...  
Keyword(s):  
Antimicrobial Properties ◽  
Hydroxyl Groups ◽  
Organic Shell

QM/MM Simulations of Organic Phosphorus Adsorption at the Diaspore-Water Interface

2019 ◽  
Author(s):  
Prasanth Babu Ganta ◽  
Oliver Kühn ◽  
Ashour Ahmed
Keyword(s):  
Interaction Energy ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Hydroxyl Groups ◽  
Water Interface ◽  
Mineral Surfaces ◽  
Soil Mineral ◽  
Phosphorus Adsorption ◽  
Covalent Bonds ◽  
Binding Mechanisms

The phosphorus (P) immobilization and thus its availability for plants are mainly affected by the strong interaction of phosphates with soil components especially soil mineral surfaces. Related reactions have been studied extensively via sorption experiments especially by carrying out adsorption of ortho-phosphate onto Fe-oxide surfaces. But a molecular-level understanding for the P-binding mechanisms at the mineral-water interface is still lacking, especially for forest eco-systems. Therefore, the current contribution provides an investigation of the molecular binding mechanisms for two abundant phosphates in forest soils, inositol hexaphosphate (IHP) and glycerolphosphate (GP), at the diaspore mineral surface. Here a hybrid electrostatic embedding quantum mechanics/molecular mechanics (QM/MM) based molecular dynamics simulation has been applied to explore the diaspore-IHP/GP-water interactions. The results provide evidence for the formation of different P-diaspore binding motifs involving monodentate (M) and bidentate (B) for GP and two (2M) as well as three (3M) monodentate for IHP. The interaction energy results indicated the abundance of the GP B motif compared to the M one. The IHP 3M motif has a higher total interaction energy compared to its 2M motif, but exhibits a lower interaction energy per bond. Compared to GP, IHP exhibited stronger interaction with the surface as well as with water. Water was found to play an important role in controlling these diaspore-IHP/GP-water interactions. The interfacial water molecules form moderately strong H-bonds (HBs) with GP and IHP as well as with the diaspore surface. For all the diaspore-IHP/GP-water complexes, the interaction of water with diaspore exceeds that with the studied phosphates. Furthermore, some water molecules form covalent bonds with diaspore Al atoms while others dissociate at the surface to protons and hydroxyl groups leading to proton transfer processes. Finally, the current results confirm previous experimental conclusions indicating the importance of the number of phosphate groups, HBs, and proton transfers in controlling the P-binding at soil mineral surfaces.

Composition of low molecular weight impurities in dimethylmethylpheylsiloxane rubbers with terminal hydroxyl groups

2020 ◽  
Vol 86 (11) ◽  
pp. 20-27
Author(s):  
A. M. Filippov ◽  
N. Yu. Semenkova ◽  
S. M. Gorelov ◽  
T. I. Shulyatieva ◽  
P. A. Storozhenko
Keyword(s):  
Molecular Weight ◽  
Low Molecular Weight ◽  
Hydroxyl Groups

Synthesis and Biological Activity of Embelin and its Derivatives: An Overview

2020 ◽  
Vol 20 (5) ◽  
pp. 396-407 ◽  
Author(s):  
Zhaojun Sheng ◽  
Siyuan Ge ◽  
Min Gao ◽  
Rongchao Jian ◽  
Xiaole Chen ◽  
...  
Keyword(s):  
Biological Activity ◽  
Biological Effects ◽  
New Drugs ◽  
Hydroxyl Groups ◽  
Carbonyl Groups ◽  
Cellular Mechanisms ◽  
Embelia Ribes ◽  
Naturally Occurring ◽  
Ic50 Value ◽  
Apoptosis Protein

Embelin is a naturally occurring para-benzoquinone isolated from Embelia ribes (Burm. f.) of the Myrsinaceae family, and contains two carbonyl groups, a methine group and two hydroxyl groups. With embelin as the lead compound, more than one hundred derivatives have been reported. Embelin is well known for its ability to antagonize the X-linked inhibitor of apoptosis protein (XIAP) with an IC50 value of 4.1 μM. The potential of embelin and its derivatives in the treatment of various cancers has been extensively studied. In addition, these compounds display a variety of other biological effects: antimicrobial, antioxidant, analgesic, anti-inflammatory, anxiolytic and antifertility activity. This paper reviews the recent progress in the synthesis and biological activity of embelin and its derivatives. Their cellular mechanisms of action and prospects in the research and development of new drugs are also discussed.

Properties and Applications of Modified Bacterial Cellulose-Based Materials

2020 ◽  
Vol 16 ◽  
Author(s):  
Munair Badshah ◽  
Hanif Ullah ◽  
Fazli Wahid ◽  
Taous Khan
Keyword(s):  
Surface Modification ◽  
Bacterial Cellulose ◽  
Degree Of Polymerization ◽  
Biomedical Science ◽  
Hydroxyl Groups ◽  
Market Demand ◽  
Ideal Candidate ◽  
Fibrous Network ◽  
Potential Applications ◽  
Surface Modification Techniques

Background: Bacterial cellulose (BC) is purest form of cellulose as it is free from pactin, lignin, hemicellulose and other active constituents associated with cellulose derived from plant sources. High biocompatibility and easy molding into desired shape make BC an ideal candidate for applications in biomedical field such as tissue engineering, wound healing and bone regeneration. In addition to this, BC has been widely studied for applications in the delivery of proteins and drugs in various forms via different routes. However, BC lacks therapeutic properties and resistance to free movement of small molecules i.e., gases and solvents. Therefore, modification of BC is required to meet the research ad market demand. Methods: We have searched the updated data relevant to as-synthesized and modified BC, properties and applications in various fields using Web of science, Science direct, Google and PubMed. Results: As-synthesized BC possesses properties such as high crystallinity, well organized fibrous network, higher degree of polymerization, and ability of being produced in swollen form. The large surface area with abundance of free accessible hydroxyl groups makes BC an ideal candidate for carrying out surface functionalization to enhance its features. The various reported surface modification techniques including, but not limited to, are amination, methylation and acetylation. Conclusion: In this review, we have highlighted various approaches made for BC surface modification. We have also reported enhancement in the properties of modified BC and potential applications in different fields ranging from biomedical science to drug delivery and paper-making to various electronic devices.

Novel Compound from Flowers of Moringa oleifera Active Against Multi- Drug Resistant Gram-negative Bacilli

2020 ◽  
Vol 20 (1) ◽  
pp. 69-75
Author(s):  
Santi M. Mandal ◽  
Subhanil Chakraborty ◽  
Santanu Sahoo ◽  
Smritikona Pyne ◽  
Samaresh Ghosh ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Moringa Oleifera ◽  
Aqueous Acetic Acid ◽  
Phytochemical Analysis ◽  
Hydroxyl Groups ◽  
Drug Resistant ◽  
Gram Negative ◽  
Isolated Compound ◽  
Conventional Antibiotics

Background: The need for suitable antibacterial agents effective against Multi-drug resistant Gram-negative bacteria is acknowledged globally. The present study was designed to evaluate the possible antibacterial potential of an extracted compound from edible flowers of Moringa oleifera. Methods: Five different solvents were used for preparing dried flower extracts. The most effective extract was subjected to fractionation and further isolation of the active compound with the highest antibacterial effect was obtained using TLC, Column Chromatography and reverse phase- HPLC. Approaches were made for characterization of the isolated compound using FTIR, NMR and Mass spectrometry. Antibacterial activity was evaluated according to the CLSI guidelines. Results: One fraction of aqueous acetic acid extract of M. oleifera flower was found highly effective and more potent than conventional antibiotics of different classes against Multi-drug resistant Gram-negative bacilli (MDR-GNB) when compared. The phytochemical analysis of the isolated compound revealed the presence of hydrogen-bonded amine and hydroxyl groups attributable to unsaturated amides. Conclusion: The present study provided data indicating a potential for use of the flowers extract of M. oleifera in the fight against infections caused by lethal MDR-GNB. Recommendations: Aqueous acetic acid flower extract of M. oleifera is effective, in-vitro, against Gram-negative bacilli. This finding may open a scope in pharmaceutics for the development of new classes of antibiotics.

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