Molecular
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A brain-infecting myxozoan, Kudoa yasunagai (Hsieh & Chen, 1984), was identified using both morphological and molecular methods in a marine fish from Van Phong Bay, Khanh Hoa province, Vietnam. Cysts containing spores were observed in the brain of one out of 10 Siganus virgatus (Valenciennes) individuals (10%). The myxospores were radially symmetrical, containing a majority of 7 equal shell valves and polar capsules.
11p dianmotminh02 03-05-2024 3 1 Download
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In conclusion, sequence analysis may be useful for the rapid detection of STR resistance in MDR M. tuberculosis strains, which in turn could contribute to better control strategies of TB in Vietnam. Other molecular mechanisms associated with STR resistance in STR-resistant strains without mutations in the rpsL and rrs genes need to be further investigated.
11p dianmotminh02 03-05-2024 4 1 Download
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The geometries and relative stabilities of 15 tautomeric forms and the corresponding isomers of the studied molecules have been identified and their relative stabilities are investigated. The potential energy profiles and intrinsic reaction coordinates (IRC) calculations along the proton transfer coordinates both in the ground and in the excited state are monitored as well. The impact of the donating (OMe) and withdrawing (NO2) groups on the single and double proton transfers are investigated both in the gas phase and solution.
9p dianmotminh02 03-05-2024 6 1 Download
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This study revealed that the major contributing descriptors of 2D QSAR studies are DeltaEpsilonB and DeltaPsiA and 3D QSAR model proves the steric as well as electrostatic effects determine the binding affinity for the drug development. The results of the current computational studies are useful for further designing novel chemical entities of anti-microbial agent.
19p dianmotminh02 03-05-2024 5 2 Download
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The molecular data of D2-D3 of 28S rRNA region, morphometrics, and morphological features of second-stage juveniles, males, and females in the present study have confirmed that the root-knot nematode recovered from pomelo in Vietnam belongs to M. enterolobii. To the best of our knowledge, this represents the first report of M. enterolobii infecting pomelo, providing new insight into the host status of this important pest.
10p dianmotminh02 03-05-2024 4 2 Download
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With the aim of inferring phylogenetic relationships among 86 species (including 45 species from Vietnam) mostly of the subfamily Convallarioideae (=Nolinoideae) (Asparagaceae sensu APG IV), we analyzed their chloroplast DNA sequences (rbcL and trnL-F) by both Bayesian inference (BI) and maximum likelihood (ML) methods. Our dataset included six of the seven tribes classified in this subfamily; Convallarieae, Dracaeneae, Liriopeae Nolineae, Polygonateae and Rusceae (Eriospermeae not examined).
17p dianmotminh02 03-05-2024 5 2 Download
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Nghiên cứu này mô tả đánh giá sàng lọc in silico về các hợp chất thực vật của cây Chùa dù nhằm mục tiêu vào yếu tố hoại tử khối u α (TNF-α) bằng phương pháp mô phỏng gắn kết phân tử (molecular docking). Cấu trúc phân tử đã được thực hiện để xem xét mô hình gắn kết của các hợp chất thực vật cây Chùa dù cùng với cấu trúc tinh thể của TNF-α (PDB ID: 2AZ5) bằng cách sử dụng chương trình AutoDock Vina, tiếp theo là nghiên cứu về các axit amin tương tác và tác động của chúng đối với khả năng ức chế của các hợp chất tiềm năng.
8p viritesh 02-04-2024 5 2 Download
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Human epidermal growth factor receptor 2 (HER2) has been identified as a molecular target for breast cancer therapy, such as Trastuzumab (Herceptin®). This has been shown to improve patient survival substantially.
10p vibego 02-02-2024 4 0 Download
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Bài viết trình bày việc khám phá cơ chế tác dụng của các chất trong cây lá đắng - Vernonia Amygdalina (VA) Asteraceae trên bệnh đái tháo đường týp 2 (ĐTĐ T2) ở cấp độ phân tử. Phương pháp nghiên cứu: Sử dụng kỹ thuật mô phỏng trên máy tính (in silico) gồm dược lý nối mạng (network pharmacology) và gắn kết phân tử (molecular docking) để dự đoán cơ chế thông qua xác định các đích tác động cho các chất của VA trên ĐTĐ T2.
12p vipanda 29-01-2024 9 3 Download
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Bài viết Transistor phân tử đơn: Mô hình và mô phỏng giới thiệu mô hình Transistor phân tử đơn (Single molecular transistor - SMT). Cấu trúc của SMT giống MOSFET truyền thống, nhưng kênh dẫn được thay bằng phân tử vòng benzene ghép 1-4.
8p vidoctorstrange 06-05-2023 5 3 Download
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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 5 3 Download
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The incidence of hypervirulent epidemic Clostridium difficile has increased around the world and now in Australia. Assays that are capable of rapidly identifying these strains would enable earlier diagnosis and timely infection control response. The aims of the first part of the study were to validate and develop a molecular technique for the rapid diagnosis of toxigenic C.
134p runthenight07 01-03-2023 8 2 Download
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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 6 3 Download
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Epigenetic defects (gain or loss of DNA methylation) of the human ICR1 11p15 domain result in two opposite foetal growth disorders (BWS and SRS) depending on which parental allele is affected. A few deletions within ICR1 have been reported in familial BWS cases with ICR1 gain of methylation, however the mechanism(s) of the DNA methylation defects at ICR1 remains largely unknown in most BWS and SRS patients.
83p runthenight07 01-03-2023 7 3 Download
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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 2 1 Download
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The document will be structured as follows: In Chapter 2 outline the methodology, discussing the computational techniques used to evaluate the interaction energies and evaluating the construction of the TT and D3(BJ) correction terms. Chapter 3 attempts to establish a foundational understanding of how these methods model vdW interactions by evaluating the performance of the corrected and uncorrected HF and DFT methods in comparison with CCSD(T) energies for a selection of inert gas dimers, and simple molecule-molecule interactions.
63p runthenight04 02-02-2023 9 2 Download
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This study has adopted a systematic approach to identify the extent to which 20 kHz ultrasound affects the particle size and solubility of different protein solutions containing 4%, 7% and 10% whey proteins, caseins or a mixture at a range of energy densities (15-400 J/mL) and various pH (4.0-9.0). Milk proteins hold a prominent place in the food industry as they are used in many manufactured products for their functionality and most importantly nutritional benefits.
136p runthenight04 02-02-2023 4 1 Download
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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 6 2 Download
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The thesis is organised as follows: Chapter 1 comprises the literature review of protein structure, amyloid fibrils and of the effect of nanomaterials on protein aggregation. Chapter 2 reviews the computational methods used to perform simulations and analysis. Chapter 3 comprises my published article on benchmarking forcefields and sampling methods for disordered proteins using amylin as a case study. Chapter 4 comprises my published article on the effect of oxidation on the properties of graphene oxide flakes in solution.
56p runthenight04 02-02-2023 11 3 Download
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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 3 2 Download