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Many-body potential for simulating the self-assembly of polymer-grafted nanoparticles in a polymer matrix

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npj Computational Materials 2023年第1期9卷 71-84页

作者： Yilong Zhou Sigbjørn Løland Bore Andrea R.Tao Francesco Paesani gaurav Arya Department of Mechanical Engineering and Materials Science Duke UniversityDurhamNC 27708USA Materials Science Division Lawrence Livermore National LaboratoryLivermoreCA 94550USA Department of Chemistry and Biochemistry University of CaliforniaSan DiegoLa JollaCA 92093USA Department of Chemical and NanoEngineering University of CaliforniaSan DiegoLa JollaCA 92023USA

Many-body interactions between polymer-grafted nanoparticles(NPs)play a key role in promoting their assembly into low-dimensional structures within polymer melts,even when the particles are spherical and isotropically ***,capturing such interactions in simulations of NP assembly is very challenging because explicit modeling of the polymer grafts and melt chains is highly computationally expensive,even using coarse-grained ***,we develop a many-body potential for describing the effective interactions between spherical polymer-grafted NPs in a polymer matrix through a machine-learning *** approach involves using permutationally invariant polynomials to fit two-and three-body interactions derived from the potential of mean force *** potential developed here reduces the computational cost by several orders of magnitude,thereby,allowing us to explore assembly behavior over large length and time *** show that the potential not only reproduces previously known assembled phases such as 1D strings and 2D hexagonal sheets,which generally cannot be achieved using isotropic two-body potentials,but can also help discover interesting phases such as networks,clusters,and *** demonstrate how each of these assembly morphologies intrinsically arises from a competition between two-and three-body *** approach for deriving many-body effective potentials can be readily extended to other colloidal systems,enabling researchers to make accurate predictions of their behavior and dissect the role of individual interaction energy terms of the overall potential in the observed behavior.

关键词： grafted polymer potential

A kinetic model for a single step biodiesel production from a high free fatty acid (FFA) biodiesel feedstock over a solid heteropolyacid catalyst

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Green Energy & Environment 2019年第3期4卷 328-341页

作者： Aashish gaurav Stéphane Dumas Chau T.Q.Mai Flora T.T.Ng Department of Chemical Engineering University of Waterloo

Production of biodiesel from yellow grease(waste cooking oil and waste animal fats) is fast emerging as a promising alternative to address the twin challenges before the biodiesel industry today-fluctuation in prices of vegetable oil and the food versus fuel debate. Yellow grease has a high percentage of free fatty acids(FFA) and proves to be an unsuitable feedstock for biodiesel production from commercially viable alkalicatalyzed production systems due to saponification problems.'Green' methodologies based on heterogeneous solid acid catalyzed reactions have the potential to simultaneously promote esterification and transesterification reactions of yellow grease to produce biodiesel without soap formation and offer easy catalyst separation without generation of toxic streams. This paper presents kinetic studies for the conversion of model yellow grease feeds to biodiesel using a heteropolyacid supported on alumina(HSiW/Al2O3) using a batch autoclave. Three model yellow grease feeds were prepared using canola oil with added FFA such as palmitic, oleic and linoleic acid. A pseudo homogeneous kinetic model for the parallel esterification and transesterification was developed. The rate constants and activation parameters for esterification and transesterification reactions for the model yellow grease feeds were determined. The rate constants for esterification are higher than the transesterification rate constants. The kinetic model was validated using the experimental biodiesel data obtained from processing a commercial yellow grease feed. The kinetic model could be used to design novel processes to convert various low-value waste oils, fats and non-food grade oils to sustainable biodiesel.

关键词： Yellow grease Canola oil Free fatty acids Heteropolyacid Kinetics for esterification and transesterification

A comprehensive review on energy storage in hybrid electric vehicle

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Journal of Traffic and Transportation Engineering(English Edition) 2021年第5期8卷 621-637页

作者： Shrey Verma Shubham Mishra Ambar Gaur Subhankar Chowdhury Subhashree Mohapatra gaurav Dwivedi Puneet Verma Energy Centre Maulana Azad National Institute of TechnologyBhopal 462007India School of Earth and Atmospheric Sciences Queensland University of TechnologyBrisbane 4001Australia

The sharp inclination in the emissions from conventional vehicles contribute to a significant increase in environmental issues,besides the energy crises and low conversion efficiency leads to the evolution of electric vehicles(EV).Hybrid electric vehicles(HEV) have efficient fuel economy and reduce the overall running cost,but the ultimate goal is to shift completely to the pure electric *** this,the main obstruction of HEV is energy storage *** EV requires high specific power(W/kg) and high specific energy(W$h/kg) to increase the distance travelled and reduce the time required for *** main focus of this paper is on the energy sources as these are the main components in EVs towards making them eco-friendly and *** topologies of EV technology such as HEVs,plug-in HEVs,and many more have been *** topologies of EVs are based on the diverse combination of batteries,fuel cells,super-capacitor,flywheels,regenerative braking systems,which are used as energy sources and energy storage devices.

关键词： Electric vehicle Energy storage Battery electric vehicle Hybrid electric vehicles

Quaternary tectonic history of seismically active intraplate Kachchh Rift Basin,western India:A review

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Geodesy and Geodynamics 2022年第3期13卷 192-204页

作者： Girish Ch.Kothyari Raj Sunil Kandregula Rakesh Dumka gaurav Chauhan Ajay Kumar Taloor Institute of Seismological Research GandhinagarGujaratIndia CSIR-National Geophysical Research Institute HyderabadTelanganaIndia Department of Earth and Environmental Science KSKV Kachchh UniversityBhujIndia Department of Remote Sensing and GIS University of JammuJammuIndia

Since the recorded historical period,the Kachchh Rift Basin(KRB)has encountered numerous moderate to large magnitude *** to the series of seismicity research so far,there are several important points of debate regarding the tectonic history and evolution of the KRB,especially during the Quaternary ***,the main objective of the present research is to inspect and perceive the association amongst the strain build-up,earthquake provenance,landform evolution and progression as archived by the Quaternary deposits of the *** previous studies demonstrated the evolutions of various landforms,such as the uplifted fluvial terraces,formation of the gorges,uplifted alluvial fan sequences,which can be ideally used to reconstruct the neotectonic history along active faults of *** this,the analysis of the accessible and supportive data,including geochronology provided by earlier studies along with some new dataset for a superior knowledge on the Quaternary tectonic forces prevailing in the KRB,have been carried ***,we also emphasized the differences and directions for future potential research *** observations of variability in uplift rates across the various active faults in the KRB suggest a complex geological history during the Quaternary *** results show that the vertical uplift rate along the significant active faults range from 0.8 to 2.8 mm/yr,demonstrating the variable tectonic stress regime prevailing in the *** uplift rates constricted from geomorphic and chronological aspects suggest that the tectonic movements within the Kachchh intraplate region is regulated by the fault segments and the present tectonic stress field is in accordance with the encompassing tectonic stress field associated with the northward movement of the Indian plate corresponding to the Eurasian plate.

关键词： Quaternary tectonics Uplift rates Active faults Kachchh Rift Basin

Real-Time Multimodal Biometric Authentication of Human Using Face Feature Analysis

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Computers, Materials & Continua 2021年第10期69卷 1-19页

作者： Rohit Srivastava Ravi Tomar Ashutosh Sharma gaurav Dhiman Naveen Chilamkurti Byung-Gyu Kim University of Petroleum and Energy Studies DehradunIndia Lovely Professional University India Government Bikram College of Commerce Patiala147001PunjabIndia La Trobe University MelbourneAustralia Sookmyung Women’s University Seoul04310Korea

As multimedia data sharing increases,data security in mobile devices and its mechanism can be seen as *** combines the physiological and behavioral qualities of an individual to validate their character in *** incorporate physiological attributes like a fingerprint,face,iris,palm print,finger knuckle print,Deoxyribonucleic Acid(DNA),and behavioral qualities like walk,voice,mark,or *** main goal of this paper is to design a robust framework for automatic face *** Invariant Feature Transform(SIFT)and Speeded-up Robust Features(SURF)are employed for face ***,we propose a modified Gabor Wavelet Transform for SIFT/SURF(GWT-SIFT/GWT-SURF)to increase the recognition accuracy of human *** proposed scheme is composed of three ***,the entropy of the image is removed using Discrete Wavelet Transform(DWT).Second,the computational complexity of the SIFT/SURF is ***,the accuracy is increased for authentication by the proposed GWT-SIFT/GWT-SURF algorithm.A comparative analysis of the proposed scheme is done on real-time Olivetti Research Laboratory(ORL)and Poznan University of Technology(PUT)*** compared to the traditional SIFT/SURF methods,we verify that the GWT-SIFT achieves the better accuracy of 99.32%and the better approach is the GWT-SURF as the run time of the GWT-SURF for 100 images is 3.4 seconds when compared to the GWT-SIFT which has a run time of 4.9 seconds for 100 images.

关键词： Biometrics real-time multimodal biometrics real-time face recognition feature analysis

Genome tuning through HLA and KIR gene clusters impact susceptibility to dengue

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Infectious Medicine

Infectious Medicine 2023年第3期2卷 167-177页

作者： Neha Sharma gaurav Sharma Uma Kanga Devinder Toor Department of Biosciences School of Basic and Applied SciencesGalgotias UniversityGreater Noida 203201India Department of Translational and Regenerative Medicine Postgraduate Institute of Medical Education and ResearchChandigarh 160012India Department of Transplant Immunology and Immunogenetics All India Institute of Medical SciencesNew Delhi 110029India Amity University Uttar Pradesh Amity Institute of Virology and ImmunologyAmity UniversityNoida 201301India

Dengue is amongst the most prevalent viral diseases which globally affects millions of individuals annually and renders billions at risk,particularly in tropical and sub-tropical *** estimated 100-400 mil-lion infections each year and reported 4.2 million active cases in 2019 *** infection is caused by arthropod-transmitted dengue virus which is known to have 5 serotypes(DENV1-5).Most of the cases show mild clinical symptoms;though others may develop severe forms viz;dengue hemorrhagic fever and dengue shock *** limited literature suggests the population-specific genetic influence on susceptibility and the clinical course of dengue;the genetic propensity of dengue is largely unknown in most *** this context,the human leukocyte antigen(HLA)system represents the most polymorphic region of the human genome and is crucial for the initiation of an appropriate immune *** most of the genome-wide association studies,the HLA complex is the most significantly linked genetic region with susceptibility or protection towards vari-ous infectious and noninfectious *** immunoglobulin-like receptors represent another highly variable system present on the surface of natural killer(NK)cells which regulate the activity of NK cells through inter-actions with their cognate HLA *** is conceivable that the interaction of HLA-Killer immunoglobulin-like receptors systems influences the host susceptibility towards dengue infection as well the disease *** we attempt to review these parameters in dengue infection and disease *** detailed investigations are warranted towards the identification of novel susceptibility markers and targeted therapeutic interventions.

关键词： DENV Human leukocyte antigen Killer immunoglobulin receptor Pathogenesis and genetic susceptibility

Optimization of process for the production of bio-oil from eucalyptus wood

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燃料化学学报 2010年第2期38卷 162-167页

作者： gaurav KUMAR Achyut K PANDA R K SINGH National Institute of Technology Rourkela Orissa PIN： 769008 India Jagannath Institute for Technology and Management Parlakhemundi Orissa India

The pyrolysis of eucalyptus wood was carried out in a batch reactor to optimize the yield of *** of various parameters like feed(particle) size,temperature,presence of catalyst and heating rate on the yield of bio-oil was *** optimum conditions for high yield of bio-oil are for the particle size 2 mm^5 mm(average l/d=12.84/2.03 mm) at 450 ℃ in high heating *** reaction kinetics and the quality of bio-oil produced are independent of the presence of different catalysts like mordenite,kaoline clay,fly ash and silica *** physical properties like odour,colour,PH,viscosity,heating value were *** FT-IR analysis of bio-oil indicates the presence of different functional groups such as monomeric alcohol,phenol,ketones,aldehydes,carboxylic acid,amines,and nitro *** composition of the bio-oil at different conditions was analyzed using GC-MS and found that the components are temperature dependent but independent of catalysts used.

关键词：热反应晶体结构生物能源

Study on sex differences and potential clinical value of threedimensional computerized tomography pelvimetry in rectal cancer patients

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World Journal of Gastrointestinal Oncology 2024年第3期16卷 773-786页

作者： Xiao-Cong Zhou Fei-Yue Ke gaurav Dhamija Hao Chen Qiang Wang Department of Colorectal Surgery The Dingli Clinical Institute of Wenzhou Medical University(Wenzhou Central Hospital)Wenzhou 325000Zhejiang ProvinceChina Postgraduate Training Base Alliance of Wenzhou Medical University Wenzhou Central HospitalWenzhou 325000Zhejiang ProvinceChina School of International Studies Wenzhou Medical UniversityWenzhou 325000Zhejiang ProvinceChina Department of Radiology The Dingli Clinical Institute of Wenzhou Medical University(Wenzhou Central Hospital)Wenzhou 325000Zhejiang ProvinceChina

BACKGROUND Laparoscopic rectal cancer radical surgery is a complex procedure affected by various ***,the existing literature lacks standardized parameters for the pelvic region and soft tissues,which hampers the establishment of consistent *** To comprehensively assess 16 pelvic and 7 soft tissue parameters through computerized tomography(CT)-based three-dimensional(3D)reconstruction,providing a strong theoretical basis to address challenges in laparoscopic rectal cancer radical *** We analyzed data from 218 patients who underwent radical laparoscopic surgery for rectal cancer,and utilized CT data for 3D pelvic *** anatomical points were carefully marked and measured using advanced 3D modeling *** analyze the pelvic and soft tissue parameters,we emp-loyed statistical methods including paired sample t-tests,Wilcoxon rank-sum tests,and correlation *** The investigation highlighted significant sex disparities in 14 pelvic bone parameters and 3 soft tissue *** demonstrated larger measurements in pelvic depth and overall curvature,smaller measurements in pelvic width,a larger mesorectal fat area,and a larger anterior-posterior abdominal *** contrast,females exhibited wider pelvises,shallower depth,smaller overall curvature,and an increased amount of subcutaneous fat ***,there were no significant sex differences observed in certain parameters such as sacral curvature height,superior pubococcygeal diameter,rectal area,visceral fat area,waist circumference,and transverse abdominal *** The reconstruction of 3D CT data enabled accurate pelvic measurements,revealing significant sex differences in both pelvic and soft tissue *** study design offer potential in predicting surgical difficulties and creating personalized surgical plans for male rectal cancer patients with a potentially“difficult pelvis”,ultimately improving surgical ***

关键词： Computerized tomography Rectal cancer Three-dimensional reconstruction Pelvimetry Sex differences

MLA:A New Mutated Leader Algorithm for Solving Optimization Problems

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Computers, Materials & Continua 2022年第3期70卷 5631-5649页

作者： Fatemeh Ahmadi Zeidabadi Sajjad Amiri Doumari Mohammad Dehghani Zeinab Montazeri Pavel Trojovsky gaurav Dhiman Department of Mathematics and Computer Sciences Sirjan University of TechnologySirjanIran Graduate of Department of Electrical and Electronics Engineering Shiraz University of TechnologyShirazIran Department of Electrical and Electronics Engineering Shiraz University of TechnologyShirazIran Department of Mathematics Faculty of ScienceUniversity of Hradec Králové50003Hradec KrálovéCzech Republic Department of Computer Science Government Bikram College of CommercePatialaPunjabIndia

Optimization plays an effective role in various disciplines of science and *** problems should either be optimized using the appropriate method(i.e.,minimization or maximization).Optimization algorithms are one of the efficient and effective methods in providing quasioptimal solutions for these type of *** this study,a new algorithm called the Mutated Leader Algorithm(MLA)is *** main idea in the proposed MLA is to update the members of the algorithm population in the search space based on the guidance of a mutated *** addition to information about the best member of the population,themutated leader also contains information about the worst member of the population,as well as other normal members of the *** proposed MLA is mathematically modeled for implementation on optimization problems.A standard set consisting of twenty-three objective functions of different types of unimodal,fixed-dimensional multimodal,and high-dimensional multimodal is used to evaluate the ability of the proposed algorithm in ***,the results obtained from theMLA are compared with eight well-known *** results of optimization of objective functions show that the proposed MLA has a high ability to solve various optimization ***,the analysis and comparison of the performance of the proposed MLA against the eight compared algorithms indicates the superiority of the proposed algorithm and ability to provide more suitable quasi-optimal solutions.

关键词： Optimization metaheuristics leader benchmark objective function