Digestibility and supramolecular structural changes of maize starch by non-covalent interactions with gallic acid

2017 ◽  
Vol 8 (2) ◽  
pp. 720-730 ◽  
Author(s):  
Chengdeng Chi ◽  
Xiaoxi Li ◽  
Yiping Zhang ◽  
Ling Chen ◽  
Lin Li ◽  
...  
Keyword(s):  
Synergistic Effect ◽  
Gallic Acid ◽  
Structural Changes ◽  
Maize Starch ◽  
Enzymatic Digestibility ◽  
Multi Scale ◽  
Non Covalent Interactions ◽  
Scale Structures ◽  
Covalent Interactions

The synergistic effect of starch–GA complexes with more ordered multi-scale structures and the released GA inhibition decrease starch enzymatic digestibility.

scholarly journals The relation between intrinsic protein conformational changes and ligand binding

2020 ◽  
Author(s):  
Marijn de Boer
Keyword(s):  
Conformational Changes ◽  
Structural Changes ◽  
Conformational Equilibrium ◽  
Biological Function ◽  
Free Protein ◽  
Classical Statistical Mechanics ◽  
Protein Conformational Changes ◽  
Ligand Free ◽  
Non Covalent Interactions ◽  
Covalent Interactions

1ABSTRACTStructural changes in proteins allow them to exist in several conformations. Non-covalent interactions with ligands drive the structural changes, thereby allowing the protein to perform its biological function. Recent findings suggest that many proteins are always in an equilibrium of different conformations and that each of these conformations can be formed by both the ligand-free and ligand-bound protein. By using classical statistical mechanics, we derived the equilibrium probabilities of forming a conformation with and without ligand. We found, under certain conditions, that increasing the probability of forming a conformation by the ligand-free protein also increases the probability of forming the same conformation when the protein has a ligand bound. Further, we found that changes in the conformational equilibrium of the ligand-free protein can increase or decrease the affinity for the ligand.

scholarly journals Microstructure and Mechanical/Hydrophilic Features of Agar-Based Films Incorporated with Konjac Glucomannan

Polymers ◽  
2019 ◽  
Vol 11 (12) ◽  
pp. 1952 ◽  
Author(s):  
Dongling Qiao ◽  
Wenyao Tu ◽  
Lei Zhong ◽  
Zhong Wang ◽  
Binjia Zhang ◽  
...  
Keyword(s):  
Tensile Strength ◽  
Chemical Structure ◽  
Structural Changes ◽  
Konjac Glucomannan ◽  
Preparation Temperature ◽  
Phase Separations ◽  
Characterization Methods ◽  
Multi Scale ◽  
Changing Trend ◽  
Scale Structures

Different characterization methods spanning length scales from molecular to micron scale were applied to inspect the microstructures and mechanical/hydrophilic features of agar/konjac glucomannan (KGM) films prepared under different drying temperatures (40 and 60 °C). Note that the lower preparation temperature (40 °C) could increase the strength and elongation of agar/KGM films at high KGM levels (18:82 wt/wt KGM-agar, or higher). This was related to the variations in the film multi-scale structures with the increment of KGM content: the reduced crystallinity, the increased perfection of nanoscale orders at some KGM amounts, and the negligibly-changed morphology and molecular chemical structure under 40 °C preparation temperature. These structural changes initially decreased the film tensile strength, and subsequently increased the film strength and elongation with increasing KGM content. Moreover, under the higher drying temperature (60 °C), the increased KGM content could concurrently reduce the strength and elongation for the films, associated with probable phase separations on nano and smaller scales. In addition, the increased KGM amount tended to make the film more hydrophilic, whereas the changes in the film structures did not dominantly affect the changing trend of hydrophilicity.

Photophysical properties of di-Schiff bases: evaluating the synergistic effect of non-covalent interactions and alkyl spacers in enhanced emissions of solids

RSC Advances ◽  
2016 ◽  
Vol 6 (63) ◽  
pp. 57780-57792 ◽  
Author(s):  
Moyna Das ◽  
Fayaz Baig ◽  
Madhushree Sarkar
Keyword(s):  
Solid State ◽  
Synergistic Effect ◽  
Schiff Bases ◽  
Photophysical Properties ◽  
Light Emitting ◽  
Emission Properties ◽  
Flexible Spacer ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Di-Schiff bases with alkyl spacer (ethyl, butyl and hexyl) showed enhanced light emitting properties in solid state, while quenching was observed for di-Schiff bases with hydrazine spacer. Packing of the molecules via non covalent interactions along with the flexible spacer played the role in dictating the emission properties.

scholarly journals Structural and functional impact of non- synonymous SNPs in the CST complex subunit TEN1: Structural genomics approach

2018 ◽  
Author(s):  
Mohd. Amir ◽  
Vijay Kumar ◽  
Taj Mohammad ◽  
Ravins Dohare ◽  
Md. Tabish Rehman ◽  
...  
Keyword(s):  
Structural Changes ◽  
Computational Prediction ◽  
Structure Stability ◽  
Helix 12 ◽  
Functional Consequences ◽  
Non Covalent Interactions ◽  
Telomere Homeostasis ◽  
And Function ◽  
Blue Print ◽  
Covalent Interactions

TEN1 protein is a key component of CST complex, implicated in maintaining the telomere homeostasis, and provide stability to the eukaryotic genome. Mutations in TEN1 gene have higher chances of deleterious impact; thus, interpreting the number of mutations and their consequential impact on the structure, stability and function is essentially important. Here, we have investigated the structural and functional consequences of nsSNPs in the TEN1 gene. A wide array of sequence- and structure-based computational prediction tools were employed to identify the effects of 78 nsSNPs on the structure and function of TEN1 protein and deleterious nsSNPs were identified. These deleterious or destabilizing nsSNPs are scattered throughout the structure of TEN1. However, major mutations were observed in the α1-helix (12-16) and β5-strand (88-96). We further observed that mutations at C-terminal region were have higher tendency to form aggregate. In-depth structural analysis of these mutations reveals that the pathogenecity of these mutations are driven mainly through larger structural changes because of alterations in non-covalent interactions. This work provides a blue print to pinpoint the possible consequences of pathogenic mutations in the CST complex subunit TEN1.

scholarly journals Structural and functional impact of non-synonymous SNPs in the CST complex subunit TEN1: structural genomics approach

2019 ◽  
Vol 39 (5) ◽  
Author(s):  
Mohd. Amir ◽  
Vijay Kumar ◽  
Taj Mohammad ◽  
Ravins Dohare ◽  
Md. Tabish Rehman ◽  
...  
Keyword(s):  
Structural Changes ◽  
Computational Prediction ◽  
Structure Stability ◽  
Prediction Tools ◽  
Helix 12 ◽  
Functional Consequences ◽  
Non Covalent Interactions ◽  
Telomere Homeostasis ◽  
And Function ◽  
Covalent Interactions

Abstract TEN1 protein is a key component of CST complex, implicated in maintaining the telomere homeostasis, and provides stability to the eukaryotic genome. Mutations in TEN1 gene have higher chances of deleterious impact; thus, interpreting the number of mutations and their consequential impact on the structure, stability, and function is essentially important. Here, we have investigated the structural and functional consequences of nsSNPs in the TEN1 gene. A wide array of sequence- and structure-based computational prediction tools were employed to identify the effects of 78 nsSNPs on the structure and function of TEN1 protein and to identify the deleterious nsSNPs. These deleterious or destabilizing nsSNPs are scattered throughout the structure of TEN1. However, major mutations were observed in the α1-helix (12–16 residues) and β5-strand (88–96 residues). We further observed that mutations at the C-terminal region were having higher tendency to form aggregate. In-depth structural analysis of these mutations reveals that the pathogenicity of these mutations are driven mainly through larger structural changes because of alterations in non-covalent interactions. This work provides a blueprint to pinpoint the possible consequences of pathogenic mutations in the CST complex subunit TEN1.

Supramolecular 2D Monolayered Nanosheets Constructed by Using Synergy of Non-covalent Interactions

2021 ◽  
Author(s):  
Jing Zhang ◽  
Shuaiwei Qi ◽  
Chenyang Zhang ◽  
Wenzhe Wang ◽  
Qinwen Ding ◽  
...  
Keyword(s):  
Synergistic Effect ◽  
Noncovalent Interactions ◽  
Supramolecular Assemblies ◽  
Rational Approach ◽  
Two Dimensional ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Here, a straightforward and rational approach to construct supramolecular assemblies with ordered nanostructure in a two-dimensional arrangement is reported. Taking advantage of the synergistic effect of multiple noncovalent interactions (hydrogen...

scholarly journals A pedagogical view about the design of isoxazolyl-penicillins of the ampc betalactamase receptor 1fcm using the docking molecular technique

2021 ◽  
Vol 10 (9) ◽  
pp. 121-137
Author(s):  
Laura Alejandra Heredia Parra ◽  
Edson Armando Vigoya Ovalle ◽  
Astrid Ramírez Valencia ◽  
Luis Eduardo Peña Prieto
Keyword(s):  
Amino Acids ◽  
Structural Changes ◽  
Reference Value ◽  
Data Bank ◽  
Molecular Technique ◽  
Non Covalent Interactions ◽  
New Interactions ◽  
Covalent Interactions ◽  
Pharmacophore Group ◽  
Selection Of

The present work mainly exposes the result of the search for molecules, derived from the structural changes of the drug Cloxacillin in its phenyl radical, which is chlorinated, likewise, the selection of the pharmacophore group is evidenced, which allowed to specify the aforementioned objective. Secondly, the selected target was beta-lactamase, with 1FCM nomenclature, registered in the database, Protein Data Bank, in the same way, the amino acids involved in non-covalent interactions are found, in this order of ideas, they were raised, 22 molecules that presented an affinity energy lower than -8.0 Kcal/mol, this data stated above, will become the reference value, to postulate 6 molecules that have registered a lower affinity, generated by the Autodock Vina software. To conclude, the structural optimization of the leading drug is given as a result, together with its new interactions in the amino acids LYS64, ASN149, THR313 and SER61.

NON COVALENT INTERACTIONS IN LARGE DIAMONDOID DIMERS IN THE GAS PHASE - A MICROWAVE STUDY

2017 ◽  
Author(s):  
Cristobal Perez ◽  
Melanie Schnell ◽  
Peter Schreiner ◽  
Norbert Mitzel ◽  
Yury Vishnevskiy ◽  
...  
Keyword(s):  
Gas Phase ◽  
Non Covalent Interactions ◽  
Covalent Interactions
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