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A Computational Study of Microhydrated N-Acetyl-Phenylalaninylamide (NAPA): Kinetics and Thermodynamics

Computational Molecular Bioscience 2023年第4期13卷 63-74页

作者： mohammad Alauddin mohammad Masud Parvez mohammad abdul matin Department of Theoretical and Computational Chemistry University of Dhaka Dhaka Bangladesh Department of Chemistry University of Barishal Barishal Bangladesh Centre for Advanced Research in Sciences (CARS) University of Dhaka Dhaka Bangladesh

The formations of [NAPA-A(H2O)n (n = 1, 2, 3, 4)] complexes have been studied employing DFT/wB97XD/cc-pVTZ computational level to understand the kinetics and thermodynamics for the hydration reactions of N-acetyl-phenylalaninylamide (NAPA). Thermodynamic parameters such as reaction energy (E), enthalpy (H), Gibb’s free energy (G), specific heat capacity (Cv), entropy (S), and change of these parameters (ΔEr, ΔHr, ΔGr, ΔCr, and ΔSr) were studied using the explicit solvent model. The predicted values of H, G, C, and S increase with the sequential addition of water in NAPA-A due to the increase in the total number of vibrational modes. On the other hand, the value of ΔEr, ΔHr, and ΔGr increases (more negative to less negative) gradually for n = 1, 2, 3, and 4 that indicates an increase of hydration in NAPA-A makes exothermic to endothermic reactions. The barrier heights for the transition states (TS) of [NAPA-A(H2O)n (n = 1, 2, 3, 4)] complexes are predicted to lie at 4.41, 4.05, 3.72 and 2.26 kcal/mol respectively below the reactants. According to the calculations, the formations of [NAPA-A(H2O)1] and [NAPA-A(H2O)2] complexes are barrierless reactions because both water molecules are strongly bonded via two hydrogen bonds in the backbone of NAPA-A. On the contrary, the reactions of [NAPA-A(H2O)3] and [NAPA-A(H2O)4] complexation are endothermic and the barrier heights are predicted to stay at 6.30 and 10.54 kcal/mol respectively above the reactants. The free energy of activation (Δ‡G0) for the reaction of [NAPA-A(H2O)1], [NAPA-A(H2O)2], [NAPA-A(H2O)3], and [NAPA-A(H2O)4] complexation are 4.43, 4.28, 3.83 and 5.11 kcal/mol respectively which are

关键词： Microhydration DFT Transition States Kinetics Thermodynamics

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A Theoretical Study of Tris-(o-benzoquinonediimine)-First-Row Divalent Transition Metal Complexes

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Advances in Chemical Engineering and Science 2023年第2期13卷 172-188页

作者： mohammad abdul matin Samiran Bhattacharjee Anwar Hossain Centre for Advanced Research in Sciences (CARS) Dhaka University Dhaka Bangladesh National University Gazipur Bangladesh

The ligand o-phenylenediamine (opda) and its oxidized form, o-benzoquinonediimine (bqdi), act as a fascinating candidate coordinating toward transition metal ions leading to the photochemical hydrogen production in absence of photosensitizers. Herein, we report the systematic study of the interaction between the oxidized form bqdi ligand, tris-(o-benzoquinonediimine) with divalent first-row transition metal series using DFT calculations. The lowest energy structures, bond length, binding energies, frontier molecular orbital analysis, natural bond orbitals, and global reactivity descriptor were calculated using B3LYP/6-311G(d,P) level of theory. The time dependent-DFT at the CAM-B3LYP/6-311+G(d,p) level of theory was applied to determine the electronic structures and the optical spectra. The theoretical binding trend of the divalent first-row transition metal series is decreasing as follows: Cu >Ti > V > Co > Ni > Fe > Cr > Zn >Mn. Among them, the binding potency of iron (II) by the bqdi ligand was not predominantly sturdy as compared to other first-row divalent transition metal ions. The origin of strong coordination with Fe(II) is attributed to its extra capability to induce covalent coordination of bqdi ligands. The complex exhibited two strong peaks at 370 nm and 452 nm, due to the HOMO-3 to LUMO+1 and HOMO-1 to LUMO transitions, respectively. Natural bond orbital analysis showed that the major interaction happens between the N lone pair electrons of the ligand with an anti-bonding orbital of metal ions, in which Ti showed the highest interaction energy than other metal ions. The present systemic DFT study of bqdi ligands with the first-row transition metals strongly encourages the future establishment of photochemical hydrogen production in absence of photosensitizers.

关键词： DFT o-phenylenediamine o-benzoquinodiimine First-Row Divalent Transition Metals Time Dependent–DFT Coordination Complexes

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The Effects of Oxidation States and Spin States of Chromium Interaction with <i>Sargassum Sp</i>.: A Spectroscopic and Density Functional Theoretical Study

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Green and Sustainable Chemistry 2021年第4期11卷 125-141页

作者： mohammad abdul matin Md. Aftab Ali Shaikh Md. Anwar Hossain Md. Alauddin Tapas Debnath Mohammed abdul Aziz Centre for Advanced Research in Sciences (CARS) Dhaka University Dhaka Bangladesh Department of Chemistry Dhaka University Dhaka Bangladesh National University Gazipur Bangladesh Department of Theoretical and Computational Chemistry Dhaka University Dhaka Bangladesh

The study of various oxidation states of chromium with Sargassum sp. is of particular interest since hexavalent chromium is reduced to trivalent chromium in an aqueous solution. In this study, a systematic density functional theory (DFT) calculations were performed to study the interactions of transition metal chromium ion with different oxidation states and spin states with the Sargassum sp. decorated with carboxylate (acetate) at the wB97XD/6-311++ G(d,p) level of theory. The structures and binding energies of chromium metal-carboxylate complexes at various oxidation states and spin states in gas phase were examined. The coordination strength of Cr(VI) with the acetate ligand was predominantly the strongest compared to the other oxidation states. Vibrational frequency analysis, for the homoleptic monomers of tris [CrIII(AC)3]0 and [CrVI(AC)3]3+ complexes, illustrate good harmony with the experimen

关键词： Transition Metal Time Dependent Density Functional Theory Binding Energy Spectroscopy Electronic Properties and Homoleptic Coordinated Complex

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Correction‐enabled reversible data hiding with pixel repetition for high embedding rate and quality preservation

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IET Cyber-Systems and Robotics 2024年第3期6卷 49-61页

作者： mohammad Ali Kawser Hussain Nyeem Md abdul Wahed School of Transportation Science and Engineering Beihang UniversityBeijingChina Department of Electrical Electronic and Communication Engineering(EECE)Military Institute of Science and Technology(MIST)DhakaBangladesh

A novel correction‐enabled Pixel Repetition(PR)‐based Reversible Data Hiding(RDH)framework,featuring a new embedding scheme is *** proposed RDH scheme uses contextually redundant block pixels,generated via PR,in a two‐phase adaptive embedding process,enhancing both image quality and data embedding ***,each 2×2 block encodes 4 bits of data using new mapping conditions that facilitate seed pixel reconstruction from remaining block pixels and provide additional embedding ***,an innovative post‐embedding error correction technique,based on 2^(k)‐bit error‐correction,minimises post‐embedding distortion,further improving image *** error correction approach augments data embedding robustness,vital for applications like medical imaging,telemedicine,and digital watermarking that requires high embedding capacity with minimum possible *** proposed scheme surpasses existing state‐of‐the‐art methods in embedding ratedistortion performance,validated through subjective and objective ***,statistical analysis,including histogram and fragility testing,confirms the scheme's potential for image authentication across diverse multimedia *** correctionenabled RDH with PR offers enhanced embedding capacity and image quality preservation,making it particularly advantageous for applications requiring robust data hiding while maintaining visual fidelity.

关键词： data assimilation vision

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Thermodynamic Performance Analysis of Geothermal Power Plant Based on Organic Rankine Cycle (ORC) Using Mixture of Pure Working Fluids

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Energy Engineering 2024年第8期121卷 2023-2038页

作者： abdul Sattar Laghari mohammad Waqas Chandio Laveet Kumar Mamdouh El Haj Assad Department of Mechanical Engineering Mehran University of Engineering and TechnologyJamshoro76062Pakistan Department of Mechanical and Industrial Engineering College of EngineeringQatar UniversityDoha00000Qatar Sustainable&Renewable Energy Engineering Department University of SharjahSharjah00000United Arab Emirates

The selection of working fluid significantly impacts the geothermal ORC’s *** a mixture as a working fluid is a strategy to improve the output of geothermal *** the current study,modelling and thermodynamic analysis of ORC,using geothermal as a heat source,is carried out at fixed operating *** model is simulated in the Engineering Equation Solver(EES).An environment-friendly mixture of fluids,i.e.,R245fa/R600a,with a suitable mole fraction,is used as the operating *** mixture provided the most convenient results compared to the pure working fluid under fixed operating *** impact of varying the evaporator pressure on the performance parameters,including energy efficiency,exergy efficiency and net power output is *** system provided the optimal performance once the evaporator pressure reached the maximum *** efficiencies:Energy and Exergy,and Net Power output of the system are 16.62%,64.08%and 2199 kW for the basic cycle and 20.72%,67.76%and 2326 kW respectively for the regenerative cycle.

关键词： Organic rankine cycle internal heat exchanger moderate-temperature geothermal source mixture of the fluid exergy

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Identifying the stability of housekeeping genes to be used for the quantitative real-time PCR normalization in retinal tissue of streptozotocin-induced diabetic rats

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International Journal of Ophthalmology(English edition) 2024年第5期17卷 794-805页

作者： Muhammad Zulfiqah Sadikan Nurul Alimah abdul Nasir mohammad Johari Ibahim Igor Iezhitsa Renu Agarwal Department of Pharmacology Faculty of MedicineManipal University College Malaysia(MUCM)Bukit BaruMelaka 75150Malaysia Centre for Neuroscience Research(NeuRon) Faculty of MedicineUniversiti Teknologi MARASungai Buloh CampusSungai BulohSelangor 47000Malaysia Department of Medical Education Faculty of MedicineUniversiti Teknologi MARASungai Buloh CampusSungai BulohSelangor 47000Malaysia Department of Biochemistry and Molecular Medicine Faculty of MedicineUniversiti Teknologi MARASungai Buloh CampusSungai BulohSelangor 47000Malaysia School of Medicine International Medical UniversityBukit JalilKuala Lumpur 57000Malaysia Department of Pharmacology and Bioinformatics Volgograd State Medical UniversityVolgograd 400131Russia

AIM:To investigate the stability of the seven housekeeping genes:beta-actin(ActB),glyceraldehyde-3-phosphate dehydrogenase(GAPDH),18s ribosomal unit 5(18s),cyclophilin A(CycA),hypoxanthine-guanine phosphoribosyl transferase(HPRT),ribosomal protein large P0(36B4)and terminal uridylyl transferase 1(U6)in the diabetic retinal tissue of rat ***:The expression of these seven genes in rat retinal tissues was determined using real-time quantitative reverse transcription polymerase chain reaction(RT-qPCR)in two groups;normal control rats and streptozotocininduced diabetic *** stability analysis of gene expression was investigated using geNorm,NormFinder,BestKeeper,and comparative delta-Ct(ΔCt)***:The 36B4 gene was stably expressed in the retinal tissues of normal control animals;however,it was less stable in diabetic *** 18s gene was expressed consistently in both normal control and diabetic rats’retinal *** this gene was the best reference for data normalisation in RT-qPCR studies that used the retinal tissue of streptozotocin-induced diabetic ***,there was no ideal gene stably expressed for use in all experimental ***:Identifying relevant genes is a need for achieving RT-qPCR validity and reliability and must be appropriately achieved based on a specific experimental setting.

关键词： housekeeping genes stability real-time reverse transcription polymerase chain reaction retinal tissue streptozotocin-induced diabetic rats

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MXenes and heterostructures-based electrocatalysts for hydrogen evolution reaction:Recent developments and future outlook

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Journal of Energy Chemistry 2024年第5期92卷 176-206页

作者： abdul Hanan Hafiz Taimoor Ahmed Awan Faiza Bibi Raja Rafidah Raja Sulaiman Wai Yin Wong Rashmi Walvekar Seema Singh mohammad Khalid Sunway Centre for Electrochemical Energy and Sustainable Technology(SCEEST) School of Engineering and TechnologySunway UniversityNo.5 Jalan UniversitiBandar Sunway47500 Petaling JayaSelangorMalaysia Fuel Cell Institute Universiti Kebangsaan Malaysia43600 UKM BangiSelangorMalaysia Faculty of Innovation and Technology School of EngineeringChemical Engineering ProgrammeNo.1 Jalan Taylor’sTaylor’s University Malaysia47500 Subang JayaSelangorMalaysia Chitkara Centre for Research and Development Chitkara UniversityHimachal Pradesh 174103India School of Applied and Life Sciences Uttaranchal UniversityDehradunUttarakhand 248007India Manipal Institute of Technology Manipal Academy of Higher EducationManipal 576104KarnatakaIndia Centre of Research Impact and Outcome Chitkara UniversityPunjab 140401India

The increasing focus on electrocatalysis for sustainable hydrogen(H_(2))production has prompted significant interest in MXenes,a class of two-dimensional(2D)materials comprising metal carbides,carbonitrides,and *** materials exhibit intriguing chemical and physical properties,including excellent electrical conductivity and a large surface area,making them attractive candidates for the hydrogen evolution reaction(HER).This scientific review explores recent advancements in MXene-based electrocatalysts for HER *** discusses various compositions,functionalities,and explicit design principles while providing a comprehensive overview of synthesis methods,exceptional properties,and electro-catalytic approaches for H_(2) production via electrochemical ***,challenges and future prospects in designing MXenes-based electrocatalysts with enhanced kinetics are highlighted,emphasizing the potential of incorporating different metals to expand the scope of electrochemical *** review suggests possible efforts for developing advanced MXenes-based electrocatalysts,particularly for efficient H_(2) generation through electrochemical water-splitting reactions..

关键词： MXenes Electrocatalyst Water Splitting Hydrogen Generation Clean Energy

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Performance Analysis with Enhanced Distributed Channel Access （EDCA） in IEEE 802.11e for Real Time Video Streaming （MPEG-4） in Multi-hop MANET

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通讯和计算机（中英文版） 2010年第4期7卷 24-29页

作者： mohammad abdul matin Najah Ahmed Naaji Department of Computer Science and Engineering North South University Dhaka 1229 Bangladesh

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Semantic Segmentation and YOLO Detector over Aerial Vehicle Images

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Computers, Materials & Continua 2024年第8期80卷 3315-3332页

作者： Asifa Mehmood Qureshi abdul Haleem Butt abdulwahab Alazeb Naif Al Mudawi mohammad Alonazi Nouf abdullah Almujally Ahmad Jalal Hui Liu Faculty of Computing and AI Air UniversityIslamabad44000Pakistan Department of Computer Science College of Computer Science and Information SystemNajran UniversityNajran55461Saudi Arabia Department of Information Systems College of Computer Engineering and SciencesPrince Sattam bin Abdulaziz UniversityAl-Kharj16273Saudi Arabia Department of Information Technology College of Computer and Information SciencesPrincess Nourah bint Abdulrahman UniversityP.O.Box 84428Riyadh11671Saudi Arabia Cognitive Systems Lab University of BremenBremen28359Germany

Intelligent vehicle tracking and detection are crucial tasks in the realm of highway ***,vehicles come in a range of sizes,which is challenging to detect,affecting the traffic monitoring system’s overall *** learning is considered to be an efficient method for object detection in vision-based *** this paper,we proposed a vision-based vehicle detection and tracking system based on a You Look Only Once version 5(YOLOv5)detector combined with a segmentation *** model consists of six *** the first step,all the extracted traffic sequence images are subjected to pre-processing to remove noise and enhance the contrast level of the *** pre-processed images are segmented by labelling each pixel to extract the uniform regions to aid the detection phase.A single-stage detector YOLOv5 is used to detect and locate vehicles in *** detection was exposed to Speeded Up Robust Feature(SURF)feature extraction to track multiple *** on this,a unique number is assigned to each vehicle to easily locate them in the succeeding image frames by extracting them using the feature-matching ***,we implemented a Kalman filter to track multiple *** the end,the vehicle path is estimated by using the centroid points of the rectangular bounding box predicted by the tracking *** experimental results and comparison reveal that our proposed vehicle detection and tracking system outperformed other state-of-the-art *** proposed implemented system provided 94.1%detection precision for Roundabout and 96.1%detection precision for Vehicle Aerial Imaging from Drone(VAID)datasets,respectively.

关键词： Semantic segmentation YOLOv5 vehicle detection and tracking Kalman filter SURF

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Assessment of spermatogenesis in camels via seminiferous tubule staging and testosterone profiling

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Asian pacific Journal of Reproduction 2024年第3期13卷 133-142页

作者： Saif Ullah abdul Quddus Quanwei Wei Wael Ennab Sheeraz Mustafa Jiahao Sun Rahmani mohammad Malyar abdul Baseer Dagan Mao Fangxiong Shi College of Animal Science and Technology Nanjing Agricultural UniversityNanjing 210095China Faculty of Veterinary and Animal Sciences Lasbela University of Agriculture Water and Marine SciencesBalochistanPakistan Faculty of Veterinary and Animal Sciences Ziaddin University Karachi Pakistan

Objective:To investigate the successive morphological stages of spermatogenesis,hormonal regulation,and testosterone profile in dromedary camel ***:Testicular tissue samples were obtained from 12 dromedary bull camels aged 7 to 8 at a local *** histological assessment involved tissue processing,hematoxylin and eosin(H&E)staining,and examination under a *** analysis,germ cell identification,and assessment of seminiferous tubules and maturation were *** assay was performed by radioimmunoassay using blood samples collected at regular ***:The study revealed 12 phases of the dromedary camel's seminiferous epithelium cycle,highlighting distinct morphological characteristics and cellular *** migration,maturation,cap formation,and the Golgi-mediated synthesis of proacrosomal vesicles were also explained in dimension,as were the steps of acrosome *** and mature sperm cells were present when spermatogenesis phases were *** analysis of the dimensions of seminiferous tubules revealed specific measures for diameter,area,and epithelial height about luminal ***,there were noticeable variations in the serum testosterone concentrations during the study period,indicating temporal ***:This study outlines the spermatogenesis process in dromedary camels across 12 stages,emphasizing cellular dynamics and acrosomal *** also provides seminiferous tubule measurements and observes seasonal testosterone fluctuations,offering insights into reproductive regulation and potential strategies for camel breeding conservation.

关键词： Spermatogenesis Camel Testosterone profile Morphological staging

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