Molecular investigation

In this study, a computational investigation of the physicochemical properties of hypericin and pseudohypericin revealed drug-like characteristics. Pharmacokinetic predictions indicated that hypericin and pseudohypericin are non-toxic to the central nervous system, hepatic system, and cardiac system. Molecular docking results indicated a strong binding affinity of hypericin/pseudohypericin with MPXV thymidylate kinase. As a result, these compounds are being considered as potential Mpox control candidates.

11p xuanphongdacy06 18-09-2024 3 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 2 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 5 2   Download

In this study, the adsorption configuration, adsorption energy of toxic gas molecules (CO, NO, CO2, NH3, and NO2) on B12 – borophene was investigated by first – principle calculations using three van der Waals correlation functionals: RevPBE-vdW, optPBE-vdW, and vdW-DF2.

65p nienniennhuy77 31-12-2024 4 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 345 154   Download

In this study, low molecular weight UV (E)-2-(((4-(benzyloxy)phenyl)imino)methyl)phenol was green-synthesized by microwave method and investigated its applicability as a UV absorber for polymers.

9p viprimi 16-12-2024 2 1   Download

This project investigates the use of free radical initiators in the recycling of post consumer recycled high density polyethylene using reactive extrusion. Both molecular and rheological characterisation of recycled and reprocessed materials was carried out and this was followed by tensile testing of the modified materials to satisfy end use applications such as packaging and drainage piping.

154p runthenight07 01-03-2023 14 3   Download

In this thesis atomistic level modelling is conducted to investigate the design of an environmentally adaptable self-cleaning polymer paint coating that incorporates biomimetics to remain clean in various environmental setting. This work will be used to aid in the development of stay-clean polymer paint coating.

116p runthenight07 01-03-2023 11 3   Download

The aim of this study was to investigate the potential impact of obesity on patients’ clinical outcome and response to the usual post orthopaedic surgery thromboprophylaxis enoxaparin or aspirin. Additionally, the participants perceived barrier(s) to adherence to the prescribed prophylaxis were explored.

224p runthenight04 02-02-2023 4 2   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 5 3   Download

The current research project genotyped HAV RNA by using protocols and primer sets designed by HAVNET. It collected and genotyped previous HAV-positive samples in VIDRL sample bank, and the results were used to establish epidemiological and molecular database of the HAV strains. The database was used to investigate the relationship between the current diagnostic samples and the previous HAV infection cases. It was expected to identify the source of the hepatitis A infection.

158p runthenight04 02-02-2023 10 3   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 13 3   Download

The objectives of the thesis: Investigate the role of A20 in regulating four physiological functions of DCs including maturation, cytokine secretion, migration and apoptosis. Investigate the effect of A20 on the regulating three molecular signals including NF-κB, STAT1 and STAT3 related to the physiological process of DCs.

27p extraenglish 24-05-2021 15 4   Download

The objectives of the thesis: Investigate the role of A20 in regulating four physiological functions of DCs including maturation, cytokine secretion, migration and apoptosis; investigate the effect of A20 on the regulating three molecular signals including NF-κB, STAT1 and STAT3 related to the physiological process of DCs.

27p capheviahe27 23-02-2021 17 4   Download

The objectives of the thesis: Identify the pathogenicity potential and classificate at species level of Colletotrichum spp. isolated from hot chilli in Vietnam; produce stable oligochitosan-silica nano, which potentially highly induced effectively the systemic resistance against anthranose disease on hot chilli, based on the combination of low molecular weight chitosan with nano silica.

28p capheviahe27 23-02-2021 36 4   Download

The current investigation was performed with two major objectives: Assessment of BPH resistance of the batch of converged rice cultivars and local rice varieties; Phylogenetic analysis and using marker molecular-based breeding methods to develop the excellent 2-3 cultivars with sustained resistance to BPH for providing in the Mekong River Delta.

27p trinhthamhodang7 31-08-2020 9 2   Download

Pyrolysis of activated sewage sludge was investigated under inert conditions in a fluidised-bed to study the effects of temperature and gas residence time on the product distribution and composition with an aim to maximise the oil yield.

8p tuananhhumg 04-11-2013 79 6   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 45 4   Download

Department of Biochemistry, Eotvos Lorand University, and 2Biotechnology Research Group of the Hungarian Academy of Sciences, ´ ´ ´ ´ Pazmany setany 1/C, Budapest, Hungary The molecular mechanism of the autolysis of rat a-chymotrypsin B was investigated. In addition to the two already known autolytic sites, Tyr146 and Asn147, a new site formed by Phe114 was identified. The former two sites and the latter one are located in the autolysis and the interdomain loops, respectivel

9p system191 01-06-2013 41 4   Download