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A TD-DFT Study for the Excited State Calculations of Microhydration of N-Acetyl-Phenylalaninylamide (NAPA)

Computational Chemistry 2023年第2期11卷 37-52页

作者： md. alauddin Joya Datta Ripa Department of Theoretical and Computational Chemistry University of Dhaka Dhaka-1000 Bangladesh

Investigating the impact of microhydration on the excited-states and electronic excitation properties of biomolecules has remained one of the important yet challenging aspects of science because of the complexity of developing models. However, with the advent of computational chemistry methods such as TD-DFT, many useful insights about the electronic excitation energy and excited-state nature of biomolecules can be explored. Accordingly, in our study, we have incorporated the TD-DFT/wB97XD/cc-pVTZ method to study the excited state properties of N-acetyl phenylalanine amide (NAPA-A(H2O) n) (n = 1 to 4) clusters from ground to the tenth lowest gaseous singlet excited state. We found that the C=O bond length gradually increases both in N-terminal amide and C-terminal amide after the sequential addition of water molecules because of intermolecular H-bonding and this intermolecular H-bonding becomes weaker after the sequential addition of H2O molecules. The UV absorption maxima of NAPA-A (H2O)n (n = 1 - 4) clusters consisted of two peaks that are S5←S0 (1st absorption) and S6←S0 (2nd absorption) excitations. The first absorption maxima were blue-shifted with the increase in oscillator strength. This means that strong H-bonds reduce the charge transfer and make clusters more rigid. On the other hand, the second absorption maxima were red-shifted with the decrease in oscillator strength. In the ECD spectra, the negative bands indicate the presence of an amide bond and L-configuration of micro hydrated NAPA-A clusters. Finally, our calculated absorption and fluorescence energy confirm that all the NAPA-A (H2O) n (n = 0 - 4) clusters revert to the ground state from the fluorescent state by emitting around 5.490 eV of light.

关键词： Excited State H-Bonding Micro Hydration Absorption and Fluorescence Energy

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Evaluation of 100 Cases of Mortality after Cardiac Surgery: A Single-Center Experience in Bangladesh

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World Journal of Cardiovascular Surgery 2020年第7期10卷 131-141页

作者： Dharmendra Joshi Mayank Acharya Niraj Bhattarai md. Abir Tazim Chowdhury md. alauddin md. Rezwanul Hoque Department of Cardiac Surgery Bangabandhu Sheikh Mujib Medical University Dhaka Bangladesh

Background: Vigilance ensures safety in cardiac surgery. Performance in cardiac surgery is often measured by short-term mortality. Several risk factors like advanced age, female gender, higher body mass index, decreased left ventricular function, emergent, and redo operations have appeared recurrently as poor prognostic variables. Evaluation of postoperative mortality is crucial to find loopholes to provide proper care and reduce preventable mortality after cardiac surgery in developing countries with limited infrastructures and resources. Methods: This is a retrospective study conducted in the Department of Cardiac Surgery, Bangabandhu Sheikh Mujib Medical University. Perioperative data of 100 cases of mortality after cardiac surgery performed from 1 January 2014 to 30 May 2018 were collected from the university medical record. The data on age, gender, body mass index, preoperative investigations, diagnoses, types of operations, details of cardiopulmonary bypass, and postoperative period of the study populations were evaluated. Results: During the study period, about 1627 cases of cardiac surgery were done with an overall mortality rate of 6.15%. The mean age was 41.05 ± 20.19 (0 - 68) years, and 66% of patients were male. Preoperative ejection fraction (EF) of the study

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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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Exploring the Role of Serum Cystatin C in Early Detection of Acute Kidney Injury among On-Pump Cardiac Surgery Patients: A Single-Center Investigation in Bangladesh

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World Journal of Cardiovascular Diseases 2024年第6期14卷 363-373页

作者： md. Ahaduzzaman md. Abir Tazim Chowdhury Munama Magdum md. Saiful Islam Khan Satyajit Sharma Monoj Tiwari md. Abul Bashar Maruf md. alauddin Omar Sadeque Khan md. Mostafizur Rahman Mirza md. Nazmus Saquib Department of Cardiothoracic and Vascular Surgery Evercare Hospital Dhaka Dhaka Bangladesh Department of Preventive and Social Medicine National Institute of Preventive and Social Medicine Dhaka Bangladesh Department of Cardiothoracic Anesthesia Evercare Hospital Dhaka Dhaka Bangladesh Department of Cardiac Surgery National Heart Foundation Hospital & Research Institute Dhaka Bangladesh Department of Cardiovascular and Thoracic Surgery B.P. Koirala Memorial Cancer Hospital Bharatpur Chitwan Nepal Department of Cardiac Surgery United Hospital Limited Dhaka Bangladesh Department of Cardiac Surgery Bangabandhu Sheikh Mujib Medical University Dhaka Bangladesh Department of Cardiac Surgery Ibrahim Cardiac Hospital & Research Institute Dhaka Bangladesh

Background: Acute Kidney Injury (AKI) stands as a prominent postoperative complication in on-pump cardiac surgery, with repercussions on morbidity, mortality, and hospitalization duration. Current diagnostic criteria relying on serum creatinine levels exhibit a delayed identification of AKI, prompting an exploration of alternative biomarkers. Aims and Objectives: This study is designed to overcome diagnostic constraints and explore the viability of serum Cystatin C as an early predictor of Acute Kidney Injury (AKI) in individuals undergoing on-pump cardiac surgery. The investigation aims to establish the relationship between serum Cystatin C levels and the onset of AKI in patients subjected to on-pump cardiac surgery. Primary objectives involve the assessment of the diagnostic effectiveness of serum Cystatin C, its comparison with serum creatinine, and the exploration of its potential for the early identification and treatment of AKI. Methodology: Conducted as a single-center study at the cardiac surgery department of BSMMU in Bangladesh from September 2020 to August 2022, a comparative cross-sectional analysis involved 31 participants categorized into No AKI and AKI groups based on Kidney Disease: Improving Global Outcomes (KDIGO) criteria. Data collection encompassed preoperative, post-CBP (cardiopulmonary bypass) conclusion at 2 hours, postoperative day 1, and postoperative day 2 intervals. Statistical analyses included Chi-squared tests, independent Student’s t-tests, and one-sample t-tests. Significance was set at P Results: The study revealed no significant differences in baseline characteristics between the No AKI and AKI groups, except for CPB time and cross-clamp time. Serum Cystatin C levels in the AKI group exhibited statistical significance at various time points, highlighting its potential as an early detector. Conversely, Serum Creatinine levels in the AKI group showed no statistical significance. The Receiver Operating Characteristic (ROC) curve analy

关键词： Acute Kidney Injury (AKI) On-Pump Cardiac Surgery Serum Cystatin C Serum Creatinine Diagnostic Biomarkers Early Detection Cardiopulmonary Bypass Single-Center Study Bangladesh

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A Study on the Development of Touchless Mouse by Object Tracking through Webcam

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International Journal of Internet and Distributed Systems 2023年第1期5卷 1-17页

作者： Mohammad alauddin Shamim Ahmed Rokshana Akter md. Amanat Ullah md. Abdul Mannan Department of Computer Science & Engineering Uttara University Dhaka Bangladesh Department of Mathematics Uttara University Dhaka Bangladesh

In this paper, we study the continuous growth of computer technology and the increasing importance of human-computer interaction. Interactive touch-less is now an undergoing developing technology in real life. Touchless technology introduces a new way of interacting with computers by object tracking method. Nowadays most mobile devices are using touchscreen technology. However, this technology is still not cheap enough to be used in desktop systems. Designing a touchless device such as a mouse or keyboard using a webcam and computer vision techniques can be an alternative way of touch screen technology. Recent trends in technology aim to build highly interactive and easy-to-use applications as a replacement for conventional devices. Such a device is touchless mouse. Its development is completed on the MATLAB platform. The overall objective is to apply image processing techniques from video to track the movement of color which is captured by a webcam and that is converted into mouse movements and operations to control the system. The sub-system which is implemented here would allow a person to control his/her mouse without any input other than the marker movements. We use three fingers (with color) as three color markers (red, green, blue) for completing the activities of a mouse. My first goal was to successfully track the marker color and the second goal was to track the marker position from the acquired image frame for performing the mouse operations. The webcam is used to capture the information on the marker and trigger the associated actions. I use ***. Robot file for performing the mouse operations using the acquired data from the image frame.

关键词： MATLAB GUI RGB DIP Matrix

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Sustainable Development of Apparel Industry in Bangladesh:A Critical Review

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Journal of Management Science & Engineering Research 2022年第2期5卷 45-62页

作者： md.Touhidul Islam md.Nahid Hassan Mohasin Kabir md.Adnan Habib Robin md.Mashrat Hasan Farabi md.alauddin Department of Textile Engineering Mawlana Bhashani Science and Technology UniversityTangail-1902DhakaBangladesh Department of Economics Noakhali Government College Under National UniversityBangladesh

*** textile and apparel employees especially over four million *** this major industrial sector,it is critical to encourage *** the apparel market and corporations focus on environmentally friendly products,Bangladesh’s textile and apparel sectors remain far behind,putting the country at risk of losing market *** is right of passage to implement techniques and a long-term strategy to *** apparel industries are currently facing significant issues in terms of labor *** garment manufacturers,fires are a common *** of workers have perished because of these *** to Bangladesh’s fire and safety difficulties,several foreign purchasers have already opted not to do business with the country ***,workers receive the world’s lowest pay,which leaves them dissatisfied and frequently results in conflicts and violence during protests poor *** study is conveyed based on theoretical,analytical,and statistical *** goal of this study is to represent the overall picture of sustainability in the apparel industry in *** study illustrates on using a life cycle approach to assessing manufactured products for environmental indicators to attain sustainability,fast fashion,government policy of sustainability,new method and material of garments and compare with the lifestyle of Europe against *** paper investigated Bangladesh’s garment industry’s working environment,fire,and safety hazards,and made suggestions for important environmental and sustainability *** study is helpful to all the people because sustainability is the main concern in a day.

关键词： Sustainable Apparel industry Fashion Environment

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