Molecular and structural

This study focuses on investigating the effect of negative pressure on the structure and diffusion processes of Silicon dioxide at liquid nitrogen temperature. The insights gained from this study will serve as a foundation for future experimental research aimed at the development and manufacturing of advanced materials.

11p viengfa 28-10-2024 2 2   Download

The structural and density heterogeneity of the liquid 3Al2O3.2SiO2 (l-3Al2O3.2SiO2) system was studied using Molecular Dynamics (MD) and Monte Carlo (MC) simulations. The results showed that the structural phase transition occurred at an oxygen packing factor of approximately 0.58.

8p vimitsuki 30-03-2025 7 1   Download

In this study, 2D-QSAR analysis and molecular docking were performed to investigate the relationship between the hydroxamatebased HDAC inhibitors with benzimidazole scaffold and the activity toward HDAC6. A dataset of 55 N-hydroxybenzamide, Nhydroxypropenamide derivatives containing benzimidazole structure with HDAC6 in vitro activity were collected.

8p vihyuga 04-03-2025 3 1   Download

Acetylcholinesterase (AChE) has been one of the important and potential targets in the discovery, and development of new drugs for treating and slowing the progression of Alzheimer's disease (AD). This research suggests potential structural frameworks for synthesizing AChE inhibitor derivatives for treating AD.

11p vihyuga 04-03-2025 1 1   Download

This study aims to generate the system of histone deacetylase enzymes (HDAC) with its cofactor zinc ion using two different parameter models and application of molecular dynamic (MD) study for structure of HDAC2 and vorinostat ligand. Materials and methods: Two non-bonded models, including 12-6-4 Lennard-Jones and cationic dummy atom, were applied for building a solvation system of HDAC2 crystal structure with presence of suber-anilohydroxamic acid (SAHA) and zinc ion.

9p vihyuga 04-03-2025 4 1   Download

Hemoglobinopathy is the most common monogenic disease worldwide. The aims of the current study were: (1) to investigate some hematological characteristics of patients with hemoglobinopathies; and (2) to detect the mutation of α-globin and β-globin genes, as well as the association between genotype and degree of anemia.

8p viharuno 03-01-2025 6 2   Download

Is a branch of polymer science dealing with analysis and characterisation of polymers. üThe complication of macromolecular chains, the dispersion in molecular weight, tacticity, crystallinity, orientation, composition of polymers etc. and complex morphological systems ⇒ analysis of polymer ≠ the small organic materials ⇒ Focus on viscoelastic properties, dynamic mechanical testing.

114p buitiendung87 06-01-2011 347 154   Download

In this Masters thesis computational modelling techniques were employed to investigate iron-free apo-Lactoferrin (apo-Lf) structural conformation changes in the presence of variant temperature and pH. These conditions represent the environment most milk protein goes through in food processing and the production of food products.

162p runthenight04 02-02-2023 9 3   Download

Master's thesis of Science "Investigation into the modulation of circadian clock proteins by dietary compounds and small molecules" is structured as follows: Chapter 1 Introduction; Chapter 2 Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNetTM library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity; Chapter 3 Modulation of circadian core clock proteins by dietary compounds; Chapter 4 Molecular mechanisms of action of selected olive phenolics against epigenetic modifiers and the structur...

235p runthenight04 02-02-2023 8 3   Download

The study "Studies on film forming corrosion inhibitors on aluminium alloy, AA2024-T3" presents key aspects of the film forming behaviour of the selected inhibitors and the test methods used to evaluate the inhibitor induced films in a chloride solution. This study also aims to provide significant insights to the film tenacity, the influence of the molecular structure as well as the film stability in the absence of inhibitors to provide a deeper understanding of the film forming and film breakdown mechanisms.

154p runthenight04 02-02-2023 17 2   Download

The thesis is structured as follows: In Chapter 1, the scientific literature is summarized within the scope of this study. Chapter 2 provides a comprehensive overview of the principles of the applied computational approaches in this study. Chapter 3 identifies the important residues of the LsIA/α7 nAChR complex that affect the interactions between the toxin and the membrane protein due to C-terminal carboxylation of LsIA. The effects of C-terminal modification of LsIA on interactions with α3β2 nAChR, involved in cardiovascular diseases, were also investigated in Chapter 4.

234p runthenight04 02-02-2023 14 3   Download

The goal of the thesis: Determine the time of harvesting the natural growing Dangshen roots; research on inulin extraction, purification, and characterization of inulin molecular structure in Dangshen tubers naturally growing in Lac Duong district, Lam Dong province; research on spray drying to create Dangshen powder and experiment to create a synbiotic powder from spray-drying powder, oriented application in food.

33p guitaracoustic09 14-01-2022 34 1   Download

To study relation of molecular structural changing between polypropylene microcomposite system and the particle fillers with varies phase interactions by using solid-state NMR(ssNMR) spectra.Therein,emphasizing the molecular flexibility on mechanical properties of materials.

22p capheviahe27 23-02-2021 13 2   Download

The objectives of the thesis: Molecular docking studies on acetylcholinesterase were performed to predict the chalcone structure has good in silico AChE acetylcholinesterase inhibitory activity. The potential chalcone compounds were synthesized and studied for their in vitro and in vivo AChE inhibitory activities

25p xacxuoc4321 09-07-2019 45 7   Download

Trehalose metabolism is an essential component of the stress response in yeast cells. In this work we show that the products of the principal genes involved in trehalose metabolism in Schizosaccharomyces pombe, tps1+ (coding for trehalose6-P synthase, Tps1p), ntp1+ (encoding neutral trehalase, Ntp1p) and tpp1+ (that codes for trehalose-6-P phosphatase, Tpp1p), interact in vitro with each other and with themselves to form protein complexes. Disruption of the gene tps1+ blocks the activation of the neutral trehalase induced by heat shock but not by osmotic stress.

9p system191 01-06-2013 29 4   Download

The transcription factor serum response factor (SRF) regulates expression of growth factor-dependent genes and muscle-specific genes in vertebrates. Homologous factors regulate differentiation of some ectodermic tissues in invertebrates. To explore the molecular basis of these different physiological functions, the functionality of human, Drosophila melanogaster and Artemia franciscana SRFs in mammalian cells has been compared in this article. D. melanogaster and, to a lesser extend, A.

9p system191 01-06-2013 36 5   Download

We report here the direct evidence for the formation of alternative DNA structures in a plasmid DNA, termed pTIR10, containing a 0.23-kb pyrimidine/purine-biased (Pyr/Pur) stretch isolated from the rat genome. Long Pyr/Pur sequences are abundant in eukaryotic genomes, and they may modulate the biological activity of genes and genomes via formation of various types of triplex-related structures. The plasmid DNA in sodium acetate buffer (pH 4.35) was deposited on APS-modified mica, and after drying it was imaged with an atomic force microscope in air. ...

5p system191 01-06-2013 34 3   Download

The design of b-glycosidases with planed substrate specificity for biotechnological application has received little attention. This is mostly a consequence of the lack of data on the molecular basis of the b-glycosidase specificity, namely data on the energy of the noncovalent interactions in the enzymetransition state complex. In an attempt to fill this gap, sitedirected mutagenesis and enzyme steady-state kinetic experiments with different substrates were conducted, using as model a digestive b-glycosidase (glycoside hydrolase family 1) from Spodoptera frugiperda (Lepidoptera) (Sfbgly50).

10p system191 01-06-2013 48 4   Download

A recombinant lipase cloned from Pseudomonas fragi strain IFO 3458 (PFL) was found to retain significant activity at low temperature. In an attempt to elucidate the structural basis of this behaviour, a model of its three-dimensional structure was built by homology and compared with homologous mesophilic lipases, i.e. the Pseudomonas aeruginosa lipase (45% sequence identity) and Burkholderia cepacia lipase (38%).

8p system191 01-06-2013 50 4   Download

The case of homologous monomeric c-type and oligomeric b-type crystallins has been described and analyzed in evolutionary terms. Data and hypotheses from molecular genetics and structural investigations converge and suggest a novel three-phase model for the evolutionary history of crystallin-type proteins. In the divergent cascades of monomeric and oligomeric crystallins, a pivotal role was played by alterations in the gene segments encoding the C-terminal extensions and the intermotif or interdomain linker peptides.

9p system191 01-06-2013 49 4   Download