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High-throughput computational screening and in vitro evaluation identifies 5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione(C3),as a novel EGFR—HER2 dual inhibitor in gastric tumors

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Oncology Research 2024年第2期32卷 251-259页

作者： MESFER AL SHAHRANI REEM GAHTANI MOHAMMAD ABOHASSAN MOHAMMAD ALSHAHRANI YASSER ALRAEY AYED DERA MOHAMMAD RAJEH ASIRI pRASANNA rajagopalan Department of Clinical Laboratory Sciences College of Applied Medical SciencesKing Khalid UniversityAbhaSaudi Arabia

Gastric cancers are caused primarily due to the activation and amplification of the EGFR or HER2 kinases resulting in cell proliferation,adhesion,angiogenesis,and *** therapies are ineffective due to the intra-tumoral heterogeneity and concomitant genetic ***,dual inhibition strategies are recommended to increase potency and reduce *** this study,we have conducted computational high-throughput screening of the ChemBridge library followed by in vitro assays and identified novel selective inhibitors that have a dual impediment of EGFR/HER2 kinase ***-based High-throughput Virtual Screening(D-HTVS)was used to screen the whole ChemBridge small molecular library against EGFR and *** atomistic molecular dynamic simulation was conducted to understand the dynamics and stability of the protein-ligand ***/HER2 kinase enzymes,kATOIII,and Snu-5 cells were used for in vitro *** atomistic Molecular Dynamics simulations followed by solvent-based Gibbs binding free energy calculation of top molecules,identified compound C3(5-(4-oxo-4H-3,1-benzoxazin-2-yl)-2-[3-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-1H-isoindole-1,3(2H)-dione)to have a good affinity for both EGFR and *** predicted compound,C3,was promising with better binding energy,good binding pose,and optimum interactions with the EGFR and HER2 residues.C3 inhibited EGFR and HER2 kinases with IC50 values of 37.24 and 45.83 nM,*** GI50 values of C3 to inhibit kATOIII and Snu-5 cells were 84.76 and 48.26 nM,*** on these findings,we conclude that the identified compound C3 showed a conceivable dual inhibitory activity on EGFR/HER2 kinase,and therefore can be considered as a plausible lead-like molecule for treating gastric cancers with minimal side effects,though testing in higher models with pharmacokinetic approach is required.

关键词： Dual inhibitor Drug discovery EGFR/HER2 kinase Gastric cancer High-throughput screening

Assessment of bisphenols in children's toy and baby products in the Middle East

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Emerging Contaminants 2024年第3期10卷 336-342页

作者： k.Martínez-Guijarro B.Gevao M.porcelli S.Al-Salem Saif Uddin M.Bahloul H.Taqi M.Hajeyah D.krishnan S.rajagopalan A.Boota Environment pollution and Climate program Kuwait Institute for Scientific ResearchP.O.Box 23884SafatKuwait EpA Sierra Leone

A major concern from the scientific community has been raised since evidence of Bisphenol A(Bp-A)can leach out from the products where they are incorporated as well as its endocrine disrupting effects observed in animals and ***-A and several related chemicals such as Bisphenol Ap(Bp-Ap),Bisphenol B(BpeB),Bisphenol S(BpeS),Bisphenol AF(Bp-AF),Bisphenol(Bpep),Bisphenol Z(Bp-Z)were analyzed in this ***-A and Bp-S were the only bisphenols detected in the samples analyzed in this *** median(range;mean)concentrations of Bp-A found in this study was 321 ng/g(11-200932;4893 ng/g).The analysis was carried out by sonicating 0.1 g of a cryo-milled sample aliquot in methanol followed by UpLC-MS/MS *** concentrations of Bp-A were found in several products labeled as Bp-A free such as nursing bottles which are particularly problematic from the children's exposure point of *** study presents the first reliable bisphenols in children's toys and baby products commercialized in the Middle *** is,however,a need to continue monitoring these compounds,especially in low-cost toys,and the so-called Bp-A-free products,which appear to have high levels of target contaminants and can pose an exposure risk for infants and children in the region.

关键词： Bisphenols Bisphenol A(Bp-A) Bisphenol S(BpeS) Children Toys

Template-Based Gait Authentication Through Bayesian Thresholding

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IEEE/CAA Journal of Automatica Sinica 2019年第1期6卷 209-219页

作者： Ebenezer R.H.p.Isaac Susan Elias Srinivasan rajagopalan k.S.Easwarakumar IEEE the Department of Computer Science and Engineering Indian Institute of Technology Madras the School of Electronics Engineering VIT University the Department of physiology and Biomedical Engineering Mayo Clinic the Department of Computer Science and Engineering Anna University

While gait recognition is the mapping of a gait sequence to an identity known to the system, gait authentication refers to the problem of identifying whether a given gait sequence belongs to the claimed identity. A typical gait authentication system starts with a feature representation such as a gait template, then proceeds to extract its features, and a transformation is ultimately applied to obtain a discriminant feature set. Almost every authentication approach in literature favours the use of Euclidean distance as a threshold to mark the boundary between a legitimate subject and an impostor. This article proposes a method that uses the posterior probability of a Bayes' classifier in place of the Euclidean distance. The proposed framework is applied to template-based gait feature representations and is evaluated using the standard CASIA-B gait database. Our study experimentally demonstrates that the Bayesian posterior probability performs significantly better than the de facto Euclidean distance approach and the cosine distance which is established in research to be the current state of the art.

关键词： Bayes’ rule biometrics gait recognition linear discriminant analysis verification

HLA-G-mediated Nk cell senescence promotes vascular remodeling： implications for reproduction

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Cellular & Molecular Immunology 2014年第5期11卷 460-466页

作者： Sumati rajagopalan Laboratory of Immunogenetics National Institute of Allergy and Infectious Diseases National Institutes of Health Rockville MD USA

The uterus in early pregnancy is a non-lymphoid organ that is enriched in natural killer （Nk） cells. Studies to address the role of these abundant human Nk cells at the maternal/fetal interface have focused on their response to the major histocompatibility complex （MHC） molecules on fetal trophoblast cells that they contact. The interaction of maternal Nk cell receptors belonging to the killer cell immunoglobulin-like receptor （kIR） family with trophoblast MHC class I molecules in pregnancy can regulate Nk cell activation for secretion of pro-angiogenic factors that promote placental development. This review will cover the role of kIR at the maternal/fetal interface and focus on kIR2DL4, a kIR family member that is uniquely poised to play a role in pregnancy due to the restricted expression of its ligand, human leukocyte antigen （HLA）-G, by fetal trophoblast cells early in pregnancy. The pathways by which kIR2DL4-HLA-G interactions induce the cellular senescence of Nk cells and the role of the resulting senescence-associated secretory phenotype （SASp） in vascular remodeling will be discussed in the context of reproduction.

关键词： cellular senescence HLA-G kIR2DL4 natural killer cells pregnancy

Epidermolytic acanthoma:A case report

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World Journal of Clinical Cases 2020年第18期8卷 4094-4099页

作者： Ariana S Ginsberg Archeta rajagopalan Joseph p Terlizzi Department of Colon and Rectal Surgery Laser Surgery CareNew YorkNY 10011United States Department of Surgery Icahn School of Medicine at Mount SinaiNew YorkNY 10029United States

BACkGROUND Epidermolytic acanthoma(EA)is a rare benign skin lesion,usually found in the genital area of men and women,with epidermolytic hyperkeratosis as its distinguishing histologic *** is commonly misdiagnosed as condyloma accuminatum,verruca,and seborrheic *** this lesion is benign,treatment is not ***,it is often misdiagnosed,and patients are likely to undergo incorrect counseling and unnecessary treatment,causing undue burden to the *** study seeks to increase awareness of this rare condition to prevent future *** SUMMARY A 55-year-old man living with human immunodeficiency virus presented for anal cancer *** physical examination revealed a flesh colored papule at the anal *** initial differential diagnosis included molluscum contagiosum,anal condyloma,and basal cell *** lesion was excised to obtain a definitive diagnosis and was discovered to be *** EA is often misdiagnosed due to its similarity to other dermatologic *** examination and pathologic evaluation should be obtained to ensure proper diagnosis.

关键词： Epidermolytic acanthoma Epidermolytic hyperkeratosis Condyloma accuminatum Anal cancer Verruca Case report

Wavelet Space partitioning for Symbolic Time Series Analysis

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Chinese physics Letters 2006年第7期23卷 1951-1954页

作者： Venkatesh rajagopalan Asok Ray Department of Mechanical and Nuclear Engineering College of Engineering The Pennsylvania State University University Park PA 16802-1412 USA

A crucial step in symbolic time series analysis （STSA） of observed data is symbol sequence generation that relies on partitioning the phase-space of the underlying dynamical system. We present a novel partitioning method, called wavelet-space （WS） partitioning, as an alternative to symbolic false nearest neighbour （SFNN） partitioning. While the WS and SFNN partitioning methods have been demonstrated to yield comparable performance for anomaly detection on laboratory apparatuses, computation of WS partitioning is several orders of magnitude faster than that of the SFNN partitioning.

关键词： ANOMALY DETECTION

Necessary and sufficient condition for modified Nevanlinna-pick interpolation for closed-loop pole placement

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Control Theory and Technology 2017年第1期15卷 58-68页

作者： Bhuvanadas ARUNA rajagopalan DEVANATHAN Department of Electrical and Electronics Engineering Viswajyothi College of Engineering and Technology Ernakulam Kerala 686670 India Department of Electrical and Electronics Engineering Hindustan Institute of Technology and Science Chennai TN 603103 India

Nevanlinna-pick interpolation theory has sevaral applications, in particular in robust control. In this paper, we derive necessary and sufficient condition so that a modification of the Nevanlinna-pick theory can place the closed-loop poles inside a circular region in the left half of the complex plane in addition to the control system design being robust and internally stable. Numerical examples illustrate the theory.

关键词： Interpolation pole assignment robustness sensitivity uncertainty

Friction transitions and connections to third bodies for a Cd coating on steel substrate

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Friction 2020年第4期8卷 784-801页

作者： priyadarshi BEHERA Lisa LEE Sriraman k.rajagopalan Richard R.CHROMIk Stephen YUE Department of Mining&Materials Engineering McGill UniversityMontrealQC H3A 0C5Canada

Cd coating is used in aerospace industries from last five decades due to its sacrificial protection and lubrication properties. Although Cd coating is primarily used due to its sacrificial corrosion protection when applied on steel substrate, the added benefit of modifying the tribological behavior by acting as a lubricious layer gives it a leading-edge than other coatings. Often the measurement of friction coefficient (CoF) is reported as a value generated after full sliding cycle. This measurement of average CoF generally limits the study of local variation in CoF occurring within one sliding cycle, which can be significantly different with change in spatial position due to change in third body morphology. In this study, a linearly reciprocating sliding test is used to measure the CoF at a sampling rate of 800 Hz along the track length to generate triboscopic image with steel countersphere. The instantaneous CoF obtained with triboscopy is correlated with the wear track morphology using scanning electron microscope (SEM) and optical profilometer for variation in contact conditions. Tribological test performed in dry atmosphere shows an average CoF of 0.4 till the end of the test whereas with increase in relative humidity to 60%, the average CoF changes from 0.4 to 0.8 at the end of the test due to change in contact conditions. Soft Cd coating on low carbon steel substrate is used to study these variations in third body morphology.

关键词： tribology Cd coating triboscopy third body aerospace coating humidity

Diagnosability of a class of discrete event systems based on observations

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Control Theory and Technology 2019年第3期17卷 265-275页

作者： S.RESHMILA Devanathan rajagopalan Sree Narayana Gurukulam College of Engineering Kerala India Hindu start Institute of Technology and Science Chennai India

The diagnosability of discrete event systems has been a topic of interest to many researchers. The diagnosability conditions for various systems have evolved based on a regularity condition that is imposed on faulty traces with respect to their observable continuations. Improving upon this weak but necessary condition, a new model of diagnosability that is based on sensor outputs, which are called observatio ns, upon a command in put is proposed in this paper. Necessary and sufficient con ditions are derived for the proposed diagnosability model. The search performance of the proposed diagnosability condition is of linear complexity in terms of the power set of the system events and observations, compared to the exponential complexity of the search with the existing diag nosability regularity condition. Moreover, a system that is not diag no sable according to the existi ng diag nosability condition may be diagnosable in the proposed diagnosability model, which includes observations.

关键词： Discrete event system diagnosability fault diagnosis mealy automata finite state automata