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Molecules against COVID-19:An in Silico Approach for Drug Development

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Journal of Electronic Science and Technology 2021年第1期19卷 14-24页

作者： Rhythm Bharti sandeep Kumar shukla the Sri Venkateswara College University of DelhiNew Delhi 110021. The Institute of Nuclear Medicine and Allied Sciences Defence Research and Development OrganizationDelhi 110054

A large number of deaths have been caused by the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)worldwide,turning it into a serious and momentous threat to public *** study tends to contribute to the development of effective treatment strategies through a computational approach,investigating the mechanisms in relation to the binding and subsequent inhibition of SARS-CoV-2 ribonucleic acid(RNA)-dependent RNA polymerase(RdRp).Molecular docking was performed to screen six naturally occurring molecules with antineoplastic properties(Ellipticine,Ecteinascidin,Homoharringtonine,Dolastatin 10,Halichondrin,and Plicamycin).Absorption,distribution,metabolism,and excretion(ADME)investigation was also conducted to analyze the druglike properties of these *** docked results have clearly shown binding of ligands to the SARS-CoV-2 RdRp ***,all ligands were found to obey Lipinski’s rule of *** results provide a basis for repurposing and using molecules,derived from plants and animals,as a potential treatment for the coronavirus disease 2019(COVID-19)infection as they could be effective therapeutics for the same.

关键词： Coronavirus disease 2019(COVID-19) drug repurposing,molecular docking natural therapeutics RNA-dependent RNA polymerase(RdRp) severe acute respiratory syndrome coronavirus 2(SARS-CoV-2).

Identifying malicious accounts in blockchains using domain names and associated temporal properties

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Blockchain(Research and Applications) 2023年第3期4卷 39-51页

作者： Rohit Kumar Sachan Rachit Agarwal sandeep Kumar shukla C3i Hub Indian Institute of Technology KanpurKanpur 208016India CSE Department Indian Institute of Technology KanpurKanpur 208016India Bennet University Greater Noida 201310India Merkle Science Bangalore 560102India

The rise in the adoption of blockchain technology has led to increased illegal activities by cybercriminals costing billions of *** machine learning algorithms are applied to detect such illegal *** algorithms are often trained on the transaction behavior and,in some cases,trained on the vulnerabilities that exist in the *** our approach,we study the feasibility of using the Domain Name(DN)associated with the account in the blockchain and identify whether an account should be tagged malicious or ***,we leverage the temporal aspects attached to the *** approach achieves 89.53%balanced-accuracy in detecting malicious blockchain *** our results identify 73769 blockchain DNs that show malicious behavior at least once,out of these,34171 blockchain DNs show persistent malicious behavior,resulting in 2479 malicious blockchain DNs over ***,none of these identified malicious DNs were reported in new officially tagged malicious blockchain DNs.

关键词： Blockchain Machine learning Suspect identification Domain name Temporal properties

A New Spectrophotometric Method for the Determination of Hydrochlorothiazide Based on the Redox Reaction

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材料科学与工程（中英文A版） 2011年第5X期1卷 725-730页

作者： Neeti Nema sandeep Kumar shukla Ramprakash Aharwal Jagdish Prasad Malviya Archna Pandey Department of Chemistry Dr. Hari Singh Gout Central University Sagar 470 003 M.P. India

Hydrochlorothiazide (HCTZ) is widely prescribed diuretic, used in congestive heart failure and hypertension. In healthy fasting volunteers the gastrointestinal uptake of the compound approximates 70% and it is linear over the dose range 5-75 mg. In this work a validated spectrophotometric method has been described for the assay of HCTZ in bulk and commercial dosage forms. The method is based on the oxidation of drug by ammonium metavanadate [V(V)]. The V(V) is reduced so the solution becomes green colored complex which absorbs maximally at 365 nm. Beer’s law obeyed in the concentration range with molar absorbtivity and Sandell’s sensitivity in absorbance unit respectively. The various experimental parameters were optimized. The proposed method has advantages concerning to simplicity, low cost and rapidly, fulfilling the requirements for the routine quality control.

关键词：分光光度法测定氧化还原反应氢氯噻嗪肠道吸收偏钒酸铵比尔定律浓度范围实验参数

2P3FL:A Novel Approach for Privacy Preserving in Financial Sectors Using Flower Federated Learning

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Computer Modeling in Engineering & Sciences 2024年第8期140卷 2035-2051页

作者： sandeep Dasari Rajesh Kaluri School of Computer Science Engineering and Information Systems Vellore Institute of TechnologyVellore632014India

The increasing data pool in finance sectors forces machine learning(ML)to step into new *** data has significant financial implications and is *** users data from several organizations for various banking services may result in various intrusions and privacy *** a result,this study employs federated learning(FL)using a flower paradigm to preserve each organization’s privacy while collaborating to build a robust shared global ***,diverse data distributions in the collaborative training process might result in inadequate model learning and a lack of *** address this issue,the present paper proposes the imple-mentation of Federated Averaging(FedAvg)and Federated Proximal(FedProx)methods in the flower framework,which take advantage of the data locality while training and guaranteeing global *** improves the privacy of the local *** analysis used the credit card and Canadian Institute for Cybersecurity Intrusion Detection Evaluation(CICIDS)***,recall,and accuracy as performance indicators to show the efficacy of the proposed strategy using FedAvg and *** experimental findings suggest that the proposed approach helps to safely use banking data from diverse sources to enhance customer banking services by obtaining accuracy of 99.55%and 83.72%for FedAvg and 99.57%,and 84.63%for FedProx.

关键词： Federated learning FedAvg FedProx flower framework privacy preservation financial sectors

Automated Time Based Multi-Criteria Bug Triage Approach:Developer Working Efficiency and Social Network Based Developer Recommendation

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Journal of Shanghai Jiaotong university(Science) 2024年第3期29卷 566-578页

作者： YADAV Asmita SINGH Kumar sandeep Krishna Engineering College Ghaziabad 201007India JIIT Noida 201309India

In software development projects,bugs are common *** report bugs in open source *** is a need to develop high quality developer prediction model that considers developer work satisfaction,keep within limited development cost,and improve bug resolution *** address and resolve bug report as soon as possible is the main focus of triager when a new bug is ***,developer work efficiency is an important factor in *** address these issues,a proposed approach recommends a set of developers that could potentially share their knowledge with each other to fix new bug *** proposed approach is called developer working efficiency and social network based developer recommendation(DweSn).It is a composite model that builds developers'profile by using developer average bug fixing time,work efficiency to fix variety of bugs,as well as the developer's social interactions with other developers.A similarity measure is applied between new bug and bugs in corpus to extract the list of capable developers from the *** proposed approach only selects those developers who are active and less loaded with *** developer with the highest profile score is assigned the *** evaluated our approach on the subset of five large open-source projects including Mozilla,Netbeans,Eclipse,Firefox and OpenOffice,and compared it with the *** results demonstrate that combination of developers'efficiency with their average bug fixing time and interactions in their social network gives good accuracy and efficiently reduces bug tossing *** approach shows an improvement in prediction accuracy,precision,recall,F-score and reduced bug tossing length up to 93.89%,93.12%,93.46%,93.27%and 93.25%,*** proposed approach achieved a 93%hit ratio and 93.34%mean reciprocal rank,indicating that our proposed triager is able to efficiently assign bugs to correct developers.

关键词： open-source repository bug report bug assignment tossing length bug triager developer social network developer recommendation

Early Paleozoic basement diorite of arc-magmatism from Kutch basin, Western India

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Acta Geochimica 2024年第2期43卷 296-307页

作者： Piyush Gupta sandeep Singh Shakti Singh Rathore Argha Narayan Sarkar Geochronology Laboratory KDMIPEOil and Natural Gas Corporation Ltd.9Kaulagarh RoadDehradun 248195India Department of Earth Sciences Indian Institute of TechnologyRoorkee 247667India

In this study,we report for theﬁrst time an Early Palaeozoic basement diorite from the drilled well Nirona-A in the Banni Half-Graben of the Kutch basin,western *** 40Ar–39Ar dates provided a plateau age of 441.84±2.66 Ma and another pseudo plateau of 441.28±5.82 to 388.08±16.65 Ma for the basement *** ages constrain the basement formation age to the Late Ordovician-Early Silurian *** obtained basement ages are correlatable with the later part of Cambro-Ordovician alkaline magmatism that has been reported from the Huqf area in Central Oman,whereas their lithological and petrographic correlativity with base-ment diorites occurring in the Dinsi Body of Nagar Parkar igneous complex in Pakistan can also be *** geochemical studies characterized the diorite with enrich-ment of LILE(Rb,Ba,and K)and LREE(La,Ce,Nd),strong depletion of HFSE(Nb,Sr,P,and Ti),along with weakly negative Eu *** geochemical signatures indicate their petrogenetic afﬁliation with mantle-derived magmas,as well as their tectonic setting to be arc-related,having post-collisional continental-arc type afﬁ****440 Ma basement of Kutch,therefore,appears to rep-resent the later thermal event associated with the reworked Neoproterozoic subduction-related suite from Greater India’s northwest edge,which has implications for Gond-wana assembly in the northwest Indian subcontinent.

关键词： Kutch basin 40Ar–39Ar ages Early palaeozoic basement Continental-arc magmatism Calc-alkaline magmatism

On the Enhanced Power Graph of a Semigroup

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Algebra Colloquium 2024年第1期31卷 83-96页

作者： sandeep Dalal Jitender Kumart Siddharth Singh Department of Mathematics Birla Institute of Technology and Science Pilani PilaniIndia

The enhanced power graph P_(E)(S)of a semigroup S is a simple graph whose vertex set is S and two vertices a,y∈S are adjacent if and only if c,y∈(z)for some z∈S,where(z)is the subsemigroup generated by *** this paper,we first describe the structure of P_(E)(S)for an arbitrary semigroup S,and then discuss the connectedness of P_(E)(S).Further,we characterize the semigroup S in the cases when P_(E)(S)is separately a complete,bipartite,regular,tree and null *** planarity,together with the minimum degree and independence number,of P_(E)(S)is also *** chromatic number of a spanning subgraph,i.e.,the cyclic graph,of P_(E)(S)is proved to be *** the final part of this paper,we construct an example of a semigroup S such that the chromatic number of P_(E)(S)need not be countable.

关键词： monogenic semigroup completely regular semigroup planar graph enhanced powergraph

Microstructure transformations and improving wear resistance of austenitic stainless steel additively fabricated by arc-based DED process

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Defence Technology（防务技术） 2024年第8期38卷 194-204页

作者： Ashish Yadav Manu Srivastava Prashant K.Jain sandeep Rathee Hybrid Additive Manufacturing Laboratory Mechanical Engineering DepartmentPDPM Indian Institute of Information TechnologyDesign&ManufacturingJabalpur482005Madhya PradeshIndia FFF Laboratory Mechanical Engineering DepartmentPDPM Indian Institute of Information TechnologyDesign&ManufacturingJabalpur482005Madhya PradeshIndia Department of Mechanical Engineering National Institute of TechnologySrinagarIndia

In this study, austenitic stainless steel(ASS) was additively fabricated by an arc-based direct energy deposition(DED) technique. Macrostructure, microstructure, mechanical characteristics at different spatial orientations(0°, 90°, and 45°), and wear characteristics were evaluated at the deposited structure top, middle, and bottom regions. Results show that austenite(γ) and delta-ferrite(δ) phases make up most of the microstructure of additively fabricated SS316LSi steel. Within γ matrix, δ phase is dispersed both(within and along) grain boundaries, exhibiting a fine vermicular morphology. The bottom, middle,and top regions of WAAM deposited ASS exhibit similar values to those of wrought SS316L in the tensile and impact test findings. Notably, a drop in hardness values is observed as build height increases. During SEM examinations of fractured surfaces from tensile specimen, closed dimples were observed, indicating good ductility of as-built structure. Wear test findings show signs of mild oxidation and usual adhesive wear. By depositing a mechanically mixed composite layer, an increase in the oxidation percentage was discovered to facilitate healing of worn surfaces. The findings of this study will help in design, production and renovation of products/components that are prone to wear. WAAM-deposited ASS has remarkable strength and ability to withstand impacts;it can be used in the production of armour plates for defence applications, mainly military vehicles and aircraft.

关键词： Metal additive deposition Defence applications Arc-based DED Characterization Wear behaviour Fractography

Rare earth-doped mixed Ni-Cu-Zn ferrites as an effective photocatalytic agent for active degradation of Rhodamine B dye

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Journal of Rare Earths 2024年第3期42卷 488-496,I0003页

作者： Swapnil A.Jadhav sandeep B.Somvanshi Sudarshan S.Gawali Kranti Zakde K.M.Jadhav Department of Physics Dr.Babasaheb Ambedkar Marathwada UniversityAurangabad431004MaharashtraIndia School of Materials Engineering Purdue UniversityWest Lafayette 47906USA University Department of Basic and Applied Sciences MGM UniversityAurangabad431003MaharashtraIndia

In this study, a series of Gd^(3+)-doped mixed Ni-Cu-Zn ferrites with composition of Zn_(0.5)Ni_(0.3)Cu_(0.2)Fe_(2-x)Gd_(x)O_(4)(x = 0, 0.025, 0.05, 0.075, 0.1) was prepared using self-ignition sol-gel method. The prepared nanoparticles with an average size ranging from 22 to 26 nm show a single-phase cubic structure belonging to the spinel matrix. A rise in the Gd^(3+)concentration leads to an increase in crystallite size and lattice parameter. In Fourier transform infrared spectra, two main absorption bands belonging to the spinel structure are observed. The high-frequency bands(v_(1)) represent the tetrahedral complex, while the lowfrequency bands(v_(2)) signify the octahedral complex. The optical bandgap of the nanoferrites is found within the range of 2.91 to 2.41 eV, depending on their size. The magnetic characteristics of the material,such as saturation magnetization and coercivity are significantly altered with the concentration of Gd^(3+)in the solution. Using Rhodamine B(RhB) as a model organic pollutant, an in-depth investigation of the photocatalytic activity of the compounds was carried out. The present outcomes show that adding an adequate amount of Gd^(3+)significantly enhances the number of hydroxyl radicals produced by the ferrite,in turn, increasing the photocatalytic activity of the material. Mechanism elucidated by scavenger studies reveals that ·OH and holes are the primary reactive radicals responsible for the degradation *** photocatalysts show an insignificant performance loss in five consecutive cycles. Thus, it is concluded that these photocatalysts are highly suitable for the remediation of dye-contaminated wastewater.

关键词： Gd^(3+)substitution Spinel ferrite Structural properties Magnetic properties Photocatalysis Rare earths