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| 1 | Machine-learned interatomic potentials by active learning:amorphous and liquid hafnium dioxide显示文摘We propose an active learning scheme for automatically sampling a minimum number of uncorrelated configurations for fitting the Gaussian Approximation Potential(GAP).Our active learning scheme consists of an unsupervised machine learning(ML)scheme coupled with a Bayesian optimization technique that evaluates the GAP model.We apply this scheme to a Hafnium dioxide(HfO2)dataset generated from a“melt-quench”ab initio molecular dynamics(AIMD)protocol.Our results show that the active learning scheme,with no prior knowledge of the dataset,is able to extract a configuration that reaches the required energy fit tolerance.Further,molecular dynamics(MD)simulations performed using this active learned GAP model on 6144 atom systems of amorphous and liquid state elucidate the structural properties of HfO2 with near ab initio precision and quench rates(i.e.,1.0 K/ps)not accessible via AIMD.The melt and amorphous X-ray structural factors generated from our simulation are in good agreement with experiment.In addition,the calculated diffusion constants are in good agreement with previous ab initio studies. | Ganesh Sivaraman Anand Narayanan Krishnamoorthy Matthias Baur Christian Holm Marius Stan Gábor Csányi Chris Benmore Álvaro Vázquez-Mayagoitia | 2020 | npj Computational Materials2020，，1： | 10 |
| 2 | Garcinol sensitizes human head and neck carcinoma to cisplatin in a xenograft mouse model despite downregulation of proliferative biomarkers显示文摘OBJECTIVE Platinum compounds such as cisplatin and carboplatin are frequently used as the first-line chemotherapy for the treatment of the head and neck squamous cell carcinoma(HNSCC).In the present study,we investigated whether garcinol,apolyisoprenylated benzophenone can chemosensitize HNSCC to cisplatin.METHODS The effect of garcinol and cisplatin on HNSCC was assessed by MTT,Western blotting,real time PCR,FACS,immunohistochemistry,DNA binding assay and xenograft mouse model.RESULTS We found that garcinol inhibited the viability of a panel of diverse HNSCC cell lines,enhanced the apoptotic effect of cisplatin,suppressed constitutive as well as cisplatin-induced NF-κB activation,and downregulated the expression of various oncogenic gene products(cyclin D1,Bcl-2,survivin and VEGF).In vivo study showed that administration of garcinol alone(0.5 mg·kg-1,ip five times/week)significantly suppressed the growth of the tumor,and this effect was further increased by cisplatin.Both the markers of proliferation index(Ki-67)and microvessel density(CD31)were downregulated in tumor tissues by the combination of cisplatin and garcinol.The pharmacokinetic results of garcinol indicated that good systemic exposure was achievable after ip administration of garcinol at 0.5and 2mg·kg-1 with mean peak concentration(cmax)of 1825.4 and 6635.7nmol·L-1 in the mouse serum,respectively.CONCLUSION Overall,our results suggest that garcinol can indeed potentiate the effects of cisplatin by negative regulation of various inflammatory and proliferative biomarkers. | Feng Li Muthu K. Shanmugam Kodappully Sivaraman Siveen Fan Wang Tina H. Ong Ser Yue Loo Mahadeva M.M. Swamy Somnath Mandal Alan Prem Kumar Boon Cher Goh Tapas Kundu Kwang Seok Ahn Ling Zhi Wang Kam Man Hui Gautam Sethi | 2015 | 中国药理学与毒理学杂志2015，29，S1： | 4 |
| 3 | KOH activated carbon derived from biomass-banana fibers as an efficient negative electrode in high performance asymmetric supercapacitor显示文摘Here we demonstrate the fabrication, electrochemical performance and application of an asymmetric supercapacitor(AS) device constructed with β–Ni(OH)_2/MWCNTs as positive electrode and KOH activated honeycomb-like porous carbon(K-PC) derived from banana fibers as negative electrode. Initially,the electrochemical performance of hydrothermally synthesized β–Ni(OH)_2/MWCNTs nanocomposite and K-PC was studied in a three-electrode system using 1 M KOH. These materials exhibited a specific capacitance(Cs) of 1327 F/g and 324 F/g respectively at a scan rate of 10 m V/s. Further, the AS device i.e.,β–Ni(OH)_2/MWCNTs//K-PC in 1 M KOH solution, demonstrated a Cs of 156 F/g at scan rate of 10 m V/s in a broad cell voltage of 0–2.2 V. The device demonstrated a good rate capability by maintaining a Cs of 59 F/g even at high current density(25 A/g). The device also offered high energy density of 63 Wh/kg with maximum power density of 5.2 kW/kg. The AS device exhibited excellent cycle life with 100% capacitance retention at 5000 th cycle at a high current density of 25 A/g. Two AS devices connected in series were employed for powering a pair of LEDs of different colors and also a mini fan. | ChaitraK Vinny R T Sivaraman P Narendra Reddy Chunyan Hu Krishna Venkatesh Vivek C S Nagaraju N Kathyayini N | 2017 | Journal of Energy Chemistry2017，26，1： | 4 |
| 4 | Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody显示文摘肝炎 E 病毒(HEV ) ,一个非包的、积极感觉的、搁浅单人赛的 RNA 病毒,是伤寒肝炎的一个主要原因。分类进家庭 Hepeviridae, HEV 包括四遗传型(遗传型 1-4 ) ,它属于单个 serotype。我们描述 monoclonal 抗体(mAb ) ,有 ~ 2.53-3.45 nM 的 8G12,同等地认出 HEV 的所有四遗传型,有约束力的亲密关系。mAb 8G12 有一保护,抵销能力,它能显著地在主人房间堵住病毒感染。动物与 1, 3 和 4 证实了跨遗传型的抵销的遗传型学习 8G12 和它肝炎 E 疾病的有效预防的能力。有丰富的遗传型的 HEV E2s 领域(病毒衣壳的最耸出的区域) 的 8G12 的复杂水晶结构 1 和 4 在 4.0 和 2.3 Å 被决定;分辨率分别地。这些结构表明 8G12 在 E2s dimerization 区域通过 epitopes 认出两遗传型。有像病毒的粒子的基于结构的 mutagenesis 和房间模型试金识别了为 8G12 中立化是必要的几保存残余(Glu549, Lys554 和 Gly591 ) 。而且, 8G12 的 epitope 作为涉及病毒主人相互作用的关键 epitope 被识别。这些调查结果将帮助为 HEV 感染的最丰富的形式的预防开发普通策略。 | Ying Gu Xuhua Tang Xiao Zhang Cuiling Song Minghua Zheng Kaihang Wang Jun Zhang Mun-Hon Ng Choy-Leong Hew Shaowei Li Ningshao Xia J. Sivaraman | 2015 | Cell Research2015，25，5： | 3 |
| 5 | Magnetic resonance imaging-guided prostate biopsydA review of literature显示文摘Objective:Multiparametric magnetic resonance imaging(MP-MRI)helps to identify lesion of prostate with reasonable accuracy.We aim to describe the various uses of MP-MRI for prostate biopsy comparing different techniques of MP-MRI guided biopsy.Materials and methods:A literature search was performed for“multiparametric MRI”,“MRI fusion biopsy”,“MRI guided biopsy”,“prostate biopsy”,“MRI cognitive biopsy”,“MRI fusion biopsy systems”,“prostate biopsy”and“cost analysis”.The search operation was performed using the operator“OR”and“AND”with the above key words.All relevant systematic reviews,original articles,case series,and case reports were selected for this review.Results:The sensitivity of MRI targeted biopsy(MRI-TB)is between 91%e93%,and the specificity is between 36%e41%in various studies.It also has a high negative predictive value(NPV)of 89%e92%and a positive predictive value(PPV)of 51%e52%.The yield of MRI fusion biopsy(MRI-FB)is similar,if not superior to MR cognitive biopsy.In-bore MRI-TB had better detection rates compared to MR cognitive biopsy,but were similar to MR fusion biopsy.Conclusions:The use of MRI guidance in prostate biopsy is inevitable,subject to availability,cost,and experience.Any one of the three modalities(i.e.MRI cognitive,MRI fusion and MRI in-bore approach)can be used.MRI-FB has a fine balance with regards to accuracy,practicality and affordability. | Kulthe Ramesh Seetharam Bhat Srinivas Samavedi Marcio Covas Moschovas Fikret Fatih Onol Shannon Roof Travis Rogers Vipul R.Patel Ananthakrishnan Sivaraman | 2021 | Asian Journal of Urology2021，8，1： | 3 |
| 6 | Remote ischaemic conditioning for stroke: unanswered questions and future directions显示文摘Remote ischaemic conditioning(RIC)refers to a process whereby periods of intermittent ischaemia,typically via the cyclical application of a blood pressure cuff to a limb at above systolic pressure,confers systemic protection against ischaemia in spatially distinct vascular territories.The mechanisms underlying this have not been characterised fully but have been shown to involve neural,hormonal and systemic inflammatory signalling cascades.Preclinical and early clinical studies have been promising and suggest beneficial effects of RIC in acute ischaemic stroke,symptomatic intracranial stenosis and vascular cognitive impairment.Through systematic searches of several clinical trials databases we identified 48 active clinical trials of RIC in ischaemic stroke,intracerebral haemorrhage and subarachnoid haemorrhage.We summarise the different RIC protocols and outcome measures studied in ongoing clinical trials and highlight which studies are most likely to elucidate the underlying biological mechanisms of RIC and characterise its efficacy in the near future.We discuss the uncertainties of RIC including the optimal frequency and duration of therapy,target patient groups,cost-effectiveness,the confounding impact of medications and the absence of a clinically meaningful biomarker of the conditioning response.With several large clinical trials of RIC expected to report their outcomes within the next 2 years,this review aims to highlight the most important studies and unanswered questions that will need to be addressed before this potentially widely accessible and low-cost intervention can be used in clinical practice. | Sheharyar Baig Bethany Moyle Krishnan Padmakumari Sivaraman Nair Jessica Redgrave Arshad Majid Ali Ali | 2021 | Stroke & Vascular Neurology2021，6，2： | 2 |
| 7 | A general activ^learningframework for on-road vehicle recognition and tracking 显示文摘 | SIVARAMAN S TRIVEDI M M | 2010 | IEEE Transactions on Intelligent Transportation Systems2010，11，2： | 1 |
| 8 | Primary geometric perforce indices for analysis and synthesis of a fruit harvesting robot arm显示文摘 | SIVARAMAN B THOMAS F B | 2006 | Trans ASAE2006，49，5： | 1 |
| 9 | Packet scheduling in broadcast WDM networks with arbitrary transceiver tuning latencies显示文摘 | G N Rouskas V Sivaraman | 1997 | IEEE/ACM Transactions on Networking1997，5，3： | 1 |
| 10 | Modified technique of robotic-assisted simple prostatectomy:advantages of a vesico-urethral anastomosis显示文摘 | Coelho R F Chauhan S Sivaraman A | 2012 | BJU Int2012，109，3： | 1 |
| 11 | Hyperexpression of mitogen-activated protein kinase in human breast cancer显示文摘 | Sivaraman VS Wang H Nuovo GJ | 1997 | J Clin Invest1997，99，： | 1 |
| 12 | Multi-criteria decision-making method based on in- terval-valued intuitionistic fuzzy sets 显示文摘 | Nayagam V L G Muralikrishnan S Sivaraman G | 2011 | Expert Systems with Applications2011，38，3： | 1 |
| 13 | The mechanism of 2, 2, 2-Tfichloroacetic acid-induced protein precipitation 显示文摘 | T Sivaraman T K S Kumar G Jayaraman C Yu | 1997 | Journal of Protein Chemistry1997，16，4： | 1 |
| 14 | Hyperexpression of Mitogen-activated Protein Kinase in Human Breast Cancer 显示文摘 | Sivaraman V Wang H Nuovo G | 1997 | J Clin Invest1997，99，： | 1 |
| 15 | Active learning for on-road vehicle detection: A comparative study 显示文摘 | Sivaraman S Trivedi M M | 2014 | Machine vi- sion and applications2014，25，3： | 1 |
| 16 | Active Learning Foe On-road Vehicle Detection: A Comparative Study显示文摘 | S Sivaraman M Trived | 2014 | Machine Vision and Applications2014，25，3： | 1 |
| 17 | Radiation exposure impairs luteinizing hormone signal trasduction and steroidogenesis in cultured human leydig cells 显示文摘 | Sivakumar R Sivaraman PB Mohan-Babu N | 2006 | Toxicol Sci2006，91，2： | 1 |
| 18 | Hyperexpression of mito- gen activated protein kinase in human breast cancer显示文摘 | Sivaraman VS Wang H Nuovo GJ | 1997 | J Clin In- vest1997，99，： | 1 |
| 19 | Industrial yeast strain improvement: construction of a highly flocculent yeast with a killer character by protoplast fusion显示文摘 | Javadekar VS Sivaraman H gokhale DV | 1995 | Journal of Industrial Microbiology1995，15，： | 1 |
| 20 | Angiogenesis and growth factor expression in a model of transmyocardial revascularization显示文摘 | Pelletier MP Giaid A Sivaraman S | 1998 | Ann Thorac Surg1998，66，： | 1 |
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