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In Silico Screening of Natural Products as Potential Inhibitors of SARS-CoV-2 Using Molecular Docking Simulation

Chinese Journal of Integrative Medicine 2022年第3期28卷 249-256页

作者： rajib hossain Chandan Sarkar Shardar Mohammad Hafiz Hassan Rasel Ahmed Khan Mohammad Arman Pranta Ray Muhammad Torequl Islam Sevgi Durna Dastan Javad Sharifi-Rad Zainab M. Almarhoon Miquel Martorell William N. Setzer Daniela Calina Department of Pharmacy Life Science FacultyBangabandhu Sheikh Mujibur Rahman Science and Technology UniversityGopalganj(8100)Bangladesh Harmacy Discipline Life Science SchoolKhulna UniversityKhulna-9280Bangladesh Departme nt of Pharmacy In ternational Islamic UniversityChittagongBangladesh Department of Biomedical Engin eeri ng Huazho ng Un iversity of Science and Tech no logyWuhan(430074)China Department of Biology Faculty of ScienceSivas Cumhuriyet UniversitySivas(58140)Turkey Beekeeping Development Application and Research Center Sivas Cumhuriyet UniversitySivas(58140)Turkey School of Medicine University of AzuayCuencaEcuador Department of Chemistry College of ScienceKing Saud UniversityRiyadh(11451)Saudi Arabia Department of Nutrition and Dietetics Faculty of Pharmacyand Centre for Healthy LivingUniversity of ConcepcionConcepcion(4070386)Chile Department of Chemistry University of Alabama in HuntsvilleHuntsvilleAL(35899)USA Aromatic Plant Research Center 230 N 1200 ESuite 100LehiUT(84043)USA Department of Clinical Pharmacy University of Medicine and Pharmacy of CraiovaCraiova(200349)Romania

Objective:To explore potential natural products against severe acute respiratory syndrome coronavirus(SARS-CoV-2)via the study of structural and non-structural proteins of human ***:In this study,we performed an in-silico survey of 25 potential natural compounds acting against *** docking studies were carried out using compounds against 3-chymotrypsin-like protease(3 CL^(PHO)),papain-like protease(PL^(PRO)),RNA-dependent RNA polymerase(RdRp),non-structural protein(nsp),human angiotensin converting enzyme 2 receptor(hACE2 R),sapike glycoprotein(S protein),abelson murine leukemia viral oncogene homolog 1(ABL1),calcineurin-nuclear factor of activated T-cells(NFAT)and transmembrane protease serine ***:Among the screened compounds,amentoflavone showed the best binding affinity with the 3 CL^(PRO),RdRp,nsp13,nsp15,hACE2 R,ABL1 and calcineurin-NFAT;berbamine with hACE2 R and ABL1;cepharanthine with nsp10,nsp14,nsp16,S protein and ABL1;glucogallin with nsp15;and papyriflavonol A with PL^(PRO)*** good interacting compounds were juglanin,betulinic acid,betulonic acid,broussooflavan A,tomentin A,B and E,7-methoxycryptopleurine,aloe emodin,quercetin,tanshinone I,tylophorine and furruginol,which also showed excellent binding affinity towards a number of target *** of these compounds showed better binding affinities towards the target proteins than the standard drugs used in this ***:Natural products or their derivatives may be one of the potential targets to fight against SARS-CoV-2.

关键词： SARS-CoV-2 natural products-derived anti-SARS-CoV-2 candidates structural proteins nonstructural proteins molecular docking

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Assessing the Ecological Consequences: Biodiversity Decline in Gopalganj, Bangladesh, under Climate Change

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Journal of Geoscience and Environment Protection 2023年第9期11卷 297-316页

作者： Md. Akik Tanjil Jihan Rifat Islam Md. rajib hossain Saif hossain Rudba Islam Taspia Jahan Rifat Jahan Md. Mustafizur Rahman Md. Mirhazul Islam Department of Environmental Science and Disaster Management Bangabandhu Sheikh Mujibur Rahman Science and Technology University Gopalganj Bangladesh

This research critically examines the alarming case of biodiversity loss in Gopalganj, Bangladesh, focusing on identifying the causes of this decline and assessing its long-term impact on ecosystems and communities. The main reason is anthropogenic activities, including land conversion, and infrastructure using a comprehensive approach. This research employs a combination of primary and secondary data analysis techniques, encompassing surveys, focus group discussions, interviews, and field surveys. Findings: A staggering biological decline in ethnic diversity seems predictions point in the direction of it is an alarming trend that will take place by 2054. At the same time, the study reveals a worrying decline in vegetation and a dramatic expansion of built-up areas. In light of these findings, this paper strongly emphasizes the urgent need for immediate and coordinated conservation efforts. The proposed measures include conservation and restoration of critical areas, strong measures to reduce greenhouse gas emissions, proactive climate adaptation planning, promotion of sustainable agricultural and forestry practices, and strong public awareness campaigns to emphasize the critical importance of biodiversity conservation. Collectively, these actions are pivotal in safeguarding Gopalganj’s rich biodiversity and ensuring a sustainable future for the region and the planet at large.

关键词： Climate Change Biodiversity Loss Ecology Adaptation Future Prediction

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Probabilistic seismic design of pile-supported building structure incorporating inherent variability of subsoil and ground motion uncertainty

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Earthquake Engineering and Engineering Vibration 2023年第1期22卷 135-156页

作者： Swagata DebRoy rajib Saha Civil Engineering Department National Institute of Technology AgartalaJirania-799046Tripura(West)India

Seismic failure of structures supported on pile foundation has revealed the importance of seismic soil-foundation-structure interaction(SSFSI)for ensuring safe *** uncertainties in subsoil properties and seismic loading may lead the problem to be more *** this context,the present study attempts to assess the seismic reliability of pile foundation-supported building structure embedded in inhomogeneous clay layer considering inertial *** strength of clay and earthquake loading is considered as spatially variable uncertain parameters.A non-linear soil-pile-structure system was assumed,and Monte Carlo simulation(MCS)was adopted to obtain probabilistic response of the ***-order reliability method(FORM)is used for reliability *** study indicates significant influence of uncertain parameters on the seismic response of building ***,the influence of material and load uncertainty parameters on the probabilistic seismic response of structure designed following older version of code is higher than counterpart structure designed following recent *** based reliability analysis infers thatserviceability criterion may be the governing parameter for pile foundation ***,the study also indicates that the curvature ductility demand of pile may be considered another crucial design parameter to assess the reliability of pile foundation.

关键词： seismic soil-foundation-structure interaction pile foundation soft clay Monte Carlo simulation FORM OPENSees

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Seismic bearing capacity of strip footing on partially saturated soil using modal response analysis

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Earthquake Engineering and Engineering Vibration 2022年第3期21卷 641-662页

作者： Abhijit Anand rajib Sarkar Department of Civil Engineering IIT(ISM)DhanbadDhanbad 826004India

The present study proposes a novel and simplified methodology to assess the seismic bearing capacity(SBC) of a shallow strip footing by incorporating strength non-linearity arising due to partial saturation of a soil matrix. Furthermore, developed methodology incorporates the modal response analysis of soil layers to assess SBC. A constant matric suction distribution profile has been considered throughout the depth of the soil. The Van Genuchten equation and corresponding fitting parameters have been considered to quantify matric suction in the analysis. SBC has been obtained for three different geomaterials;viz. sand, fly ash and clay, based on their predominant grain size and diverse soil water characteristics curve(SWCC) attributes. Variation of SBC with different modes of vibration and damping ratio are reported for ranges of matric suction pertinent to the geomaterials considered in the study. The relative significance of matric suction on SBC has been reported for suction values within the transition zone of each geomaterial. It is observed that the SBC of sand is drastically reduced, with matric suction reaching beyond the residual suction value. The SBC of fly ash remains constant beyond the residual suction value, whereas the SBC of clay shows an increasing trend toward the practical range of matric suction values.

关键词： seismic bearing capacity modal analysis matric suction

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Bound for the Regularity of Binomial Edge Ideals of Cactus Graphs

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Algebra Colloquium 2022年第3期29卷 443-452页

作者： A.V.Jayanthan rajib Sarkar Department of Mathematics Indian Institute of Technology Madras Chennai 600036India

In this article,we obtain an upper bound for the regularity of the binomial edge ideal of a graph whose every block is either a cycle or a *** a consequence,we obtain an upper bound for the regularity of binomial edge... 详细信息

关键词： binomial edge ideal cactus graph Cohen-Macaulayness regularity

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Charge transfer of carbon nanomaterials for efficient metal‐free electrocatalysis

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Interdisciplinary Materials 2022年第1期1卷 28-50页

作者： rajib Paul Qingfeng Zhai Ajit K.Roy Liming Dai Department of Macromolecular Science and Engineering Case School of EngineeringCase Western Reserve UniversityClevelandOhioUSA Australian Carbon Materials Centre(A-CMC) School of Chemical EngineeringUniversity of New South WalesSydneyNew South WalesAustralia Materials and Manufacturing Directorate Air Force Research LaboratoryDaytonOhioUSA

Recently,carbon-based metal-free electrocatalysts(C‐MFECs)have drawn considerable research attention because of their attractive physicochemical characteristics,cost-effectiveness,and ability to convert and store energy *** intramolecular charge transfer among different parts of the carbon electrocatalyst and/or intermolecular charge transfer between elec-trocatalyst and electrolyte dictate the ultimate energy conversion *** results and theoretical analyses have demonstrated that rational design of metal-free carbon nanomaterials,coupled with proper in-tramolecular charge transfer through heteroatom doping,incorporation of Stone-Wales defects,and/or intermolecular charge transfer through adsorp-tion of appropriate molecules/moieties,can promote efficient *** this article,we will first provide the related theoretical principles and then present an overview on the rational design and development of C-MFECs for efficient charge transfer,followed by elucidating charge-transfer processes for different electrocatalytic reactions related to renewable energy conversion and environmental remediation ***,the current challenges and future perspectives in this exciting field will be discussed.

关键词： carbon catalyst charge transfer defect doping

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Thirty Years of Science,Technology,and Academia in Disaster Risk Reduction and Emerging Responsibilities

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International Journal of Disaster Risk Science 2020年第4期11卷 414-425页

作者： rajib Shaw Graduate School of Media and Governance Keio UniversityFujisawa 252-0882Japan

The 1990 initiation of the International Decade for Natural Disaster Reduction marked its 30th year in *** three decades since then have seen significant developments in science and technology and their incorporation into the decision making in the field of disaster risk *** disasters that have occurred during that time have enhanced the importance of the field,and new research and innovations have *** article summarizes this evolution through the review of specific *** the Sendai Framework for Disaster Risk Reduction 2015–2030 provides opportunities for synergies with the sustainable development agenda,the science and technology communities have also changed their roles from advisory to co-designing and co-delivering *** education plays an important role in developing new generations of professionals,and the role of thematic incubation in higher education institutions is highlighted along with the development of the professional society in disaster risk *** evolution from Society 4.0(information age)to Society 5.0 will see an enhanced role of the technology-driven approach in disaster risk reduction,while traditional knowledge and indigenous technologies still remain valid for *** and science communities need to be more sensitive to changing the“last mile”concept to“first mile”thinking with respect to the users’needs and perspectives.

关键词： Co-design solutions in disaster risk reduction Professional society Science and technology in disaster risk reduction Society 5.0

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Time delay of the appearance of a new strain can affect vaccination behavior and disease dynamics:An evolutionary explanation

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Infectious Disease Modelling 2023年第3期8卷 656-671页

作者： Md.Mamun-Ur-Rashid Khan Md.rajib Arefin Jun Tanimoto Interdisciplinary Graduate School of Engineering Sciences Kyushu UniversityKasuga-koenKasuga-shiFukuoka816-8580Japan Faculty of Engineering Sciences Kyushu UniversityKasuga-koenKasuga-shiFukuoka816-8580Japan Department of Mathematics University of DhakaDhaka1000Bangladesh

The emergence of a novel strain during a pandemic,like the current COVID-19,is a major concern to the healthcare *** most effective strategy to control this type of pandemic is *** previous studies suggest that the existing vaccine may not be fully effective against the new ***,the new strain's late arrival has a significant impact on the disease dynamics and vaccine *** on these issues,this study presents a two-strain epidemic model in which the new strain appears with a time *** considered two vaccination provisions,namely preinfection and post-infection vaccinations,which are governed by human behavioral *** such a framework,individuals have the option to commit vaccination before being infected with the first ***,people who forgo vaccination and become infected with the first train have the chance to be vaccinated(after recovery)in an attempt to avoid infection from the second ***,a second strain can infect vaccinated and unvaccinated *** may have additional opportunities to be vaccinated and to protect themselves from the second strain due to the time *** the cost of the vaccine,the severity of the new strain,and the vaccine's effectiveness,our results indicated that delaying the second strain decreases the peak size of the infected ***,by estimating the social efficiency deficit,we discovered that the social dilemma for receiving immunization decreases with the delay in the arrival of the second strain.

关键词： Vaccination Behavior dynamics Two-strain epidemic Time delay Social efficiency deficit

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Seismic behavior of batter pile groups embedded in liquefiable soil

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Earthquake Engineering and Engineering Vibration 2021年第3期20卷 583-604页

作者： J.S.Rajeswari rajib Sarkar Department of Civil Engineering Indian Institute of Technology(ISM)DhanbadDhanbad 826004India

A comparative study of the seismic performance of 2×1 pile groups considering different degrees of batter(0°for vertical,10°and 20°)embedded in single homogeneous liquefiable sand through fully coupled three-dimensional dynamic analyses is *** effects of inertial interaction are considered with structures having two different *** performance of pile groups is investigated for the fixed and pinned pile to cap connections for both floating and end bearing types of pile *** ratios of piles were also varied to enable a comprehensive *** have been carried out for three earthquake motions having varied dominant *** is observed that batter pile groups in liquefiable soils provide beneficial effects on piles and superstructure responses for both fixed and pinned head pile to cap connections for long period ***,for short period structures,a beneficial effect is most evident for fixed head connection.

关键词： batter pile liquefaction period of structure pile to cap connection slenderness ratio

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ON SOLUTION TO THE NAVIER-STOKES EQUATIONS WITH NAVIER SLIP BOUNDARY CONDITION FOR THREE DIMENSIONAL INCOMPRESSIBLE FLUID

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Acta Mathematica Scientia 2019年第6期39卷 1628-1638页

作者： Subha PAL rajib HALOI Department of Mathematical Sciences Tezpur University

In this article, we prove the existence and uniqueness of solutions of the NavierStokes equations with Navier slip boundary condition for incompressible fluid in a bounded domain of R^3. The results are established by... 详细信息

关键词： Navier-Stokes equations Galerkin method Navier slip boundary condition strain tensor

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