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Structural and Electronic Properties of Ruthenium-Doped Germanium Clusters

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Structural and Electronic Properties of Ruthenium-Doped Germ...

Study of Complex Nitrogen and Oxygen-bearing Molecules toward the High-mass Protostar IRAS 18089–1732

第六届全国计算原子与分子物理学术会议

作者： Yuanyuan Jin Yonghong Tian Xiaoyu Kuang Cheng Lu Jose? Luis Cabellos sukanta mondal Gabriel Merino Institute of Atomic and Molecular Physics Sichuan University Department of Physics Nanyang Normal University Department of Physics and Optoelectronic Engineering Yangtze University Department of Physics and High Pressure Science and Engineering Center University of Nevada

＜正＞During the past decade,there has been tremendous interest in germanium-based clusters because they are the building blocks of self-assembling semiconductors and are useful in synthesizing new novel materials.[1,2]A large number of experimental and theoretical investigations have been performed on pure germanium clusters.[3,4]According to these studies,such clusters cannot form stable fullerene-like ***,

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Research in Astronomy and Astrophysics 2024年第6期24卷 81-93页

作者： Arijit Manna Sabyasachi Pal Tapas Baug Sougata mondal Department of Physics Midnapore City CollegePaschim MedinipurWest Bengal721129India S.N.Bose National Centre for Basic Sciences Block-JDSector-IIISalt Lake CityKolkata700106 India

The observation of oxygen(O)-and nitrogen(N)-bearing molecules gives an idea about the complex prebiotic chemistry in the interstellar *** millimeter and submillimeter wavelength observations have shown the presence of complex O-and N-bearing molecules in the star formation ***,the investigation of those molecules is crucial to understanding the chemical complexity in the star-forming *** this article,we present the identification of the rotational emission lines of N-bearing molecules ethyl cyanide(C_(2)H_(5)CN)and cyanoacetylene(HC_(3)N),and O-bearing molecule methyl formate(CH_(3)OCHO)toward high-mass protostar IRAS18089–1732 using the Atacama Compact *** also detected the emission lines of both the N-and O-bearing molecule formamide(NH_(2)CHO)in the envelope of IRAS 18089–*** have detected the v=0 and 1 state rotational emission lines of CH_(3)*** also detected the two vibrationally excited states of HC_(3)N(v7=1 and v7=2).The estimated fractional abundances of C_(2)H_(5)CN,HC_(3)N(v7=1),HC_(3)N(v7=2),and NH_(2)CHO toward IRAS 18089–1732 are(1.40±0.5)×10^(-10),(7.5±0.7)×10^(-11),(3.1±0.4)×10^(-11),and(6.25±0.82)×10^(-11)***,the estimated fractional abundances of CH_(3)OCHO(v=0)and CH_(3)OCHO(v=1)are(1.90±0.9)×10^(-9)and(8.90±0.8)×10^(-10),*** also created the integrated emission maps of the detected molecules,and the observed molecules may have originated from the extended envelope of the *** show that C_(2)H_(5)CNand HC_(3)N are most probably formed via the subsequential hydrogenation of the CH_(2)CHCNand the reaction between C_(2)H_(2)and CN on the grain surface of IRAS 18089–*** found that NH_(2)CHO is probably produced due to the reaction between NH_(2)and H_(2)CO in the gas ***,CH_(3)OCHO is possibly created via the reaction between radical CH_(3)O and radical HCO on the grain surface of IRAS 18089–1732.

关键词： ISM:individual objects(IRA 18089-1732)(except) ISM:abundances ISM:kinematics and dynamics stars:formation astrochemistry

Effect of metal fractions on rice grain metal uptake and biological parameters in mica mines waste contaminated soils

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Journal of Environmental Sciences 2024年第2期136卷 313-324页

作者： Saibal Ghosh Sandip mondal Jajati Mandal Abhishek Mukherjee Pradip Bhattacharyya Agricultural and Ecological Research Unit Indian Statistical InstituteGiridihJharkhand 815301India School of Science Engineering&EnvironmentUniversity of SalfordManchester M54WTUK

Heavy metals from mica waste not only deteriorate the soil quality but also results in the uptake of metals in the *** present investigation was conducted to evaluate the effects of different fractions of metals on the uptake in rice,soil microbial and biochemical properties in mica waste-contaminated soils of Jharkhand,*** each active mine,soil samples were randomly collected at distances of100 m(zone 3).Sequential metal extraction was used to determine the fractions of different metals(nickel(Ni),cadmium(Cd),chromium(Cr)and lead(Pb))including water-soluble(Ws)and exchangeable metals(Ex),carbonate-bound metals(CBD),Fe/Mn oxide(OXD)bound metals,organically bound metals(ORG),and residues(RS).The Ni,Cr,Cd and Pb in rice grain were 0.83±0.41,0.41±0.19,0.21±0.14 and 0.17±0.08 mg/kg *** the variable importance plot of the random forest(RF)algorithm,the Ws fraction of Ni,Cr and Cd and Ex fraction of Pb was the most important predictor for rice grain metal ***,the partial dependence plots(PDP)give us an insight into the role of the two most important metal fractions on rice grain metal *** microbial and enzyme activity was significantly and negatively correlated with Ws and Ex metal fractions,indicating that water-soluble and exchangeable fractions exert a strong inhibitory effect on the soil microbiological parameters and enzyme activities.

关键词： Metal fractions Microbial parameters Mica waste soil Soil enzymes Rice Random forest

Unsteady squeezing flow and heat transport of SiO2/kerosene oil nanofluid around radially stretchable parallel rotating disks with upper disk oscillating

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Propulsion and Power Research 2024年第1期13卷 64-79页

作者： Folarin Oluwaseun Sicelo Goqo Hiranmoy mondal School of Mathematics Statistics and Computer ScienceUniversity of KwaZulu-NatalPrivate Bag X01ScottsvilePietermaritzburg 3209South Africa Department of Applied Mathematics Maulana Abul Kalam Azad University of TechnologyWest BengalKolkata 700064India

In this study,we have analyzedfluid mobility and thermal transport of the SiO2/kerosene nanofluid within two rotating stretchable *** top disk is simulated to be oscil-lating with a periodic velocity and squeezing continuously the nanofluid within a porous me-dium and making thefluid toflow perpendicularly to the situated magneticﬁ*** radiation effects are considered in the heat transfer *** non-linear(NL)PDEs that describe the nanofluid mobility structure and thermal transport are transformed into system of NL-ODEs by introducing adequately suitable non-dimensional variables after which the NL-ODEs were numerically solved via spectral quasi-linearization method(SQLM)on over-lapping *** consequences of several pertinent parameters of the model on pressure,tem-perature,velocity,skin drag coefﬁcient and thermal transport rate are examined and elucidated in detail with the aid ofﬁgures and *** was found that theflow structure with prescribing conditions develops negative pressure situation which has vast applications in modern day medical engineering,especially in the construction of air pressure stabilizers used in medical isolation and wound therapy physiology.

关键词： Nanofluids Unsteady Squeezing Stretchable Overlapping spectral quasi-linearization SiO2 Kerosene Rotating disks

Geomorphic signatures and active tectonics in western Saurashtra,Gujarat,India

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Geodesy and Geodynamics 2024年第1期15卷 82-99页

作者： Bikramaditya mondal Mery Biswas Soumyajit Mukherjee Mohamedharoon A.Shaikh Department of Earth Sciences Indian Institute of Technology BombayMumbai 400076MaharashtraIndia Department of Geography Presidency UniversityKolkata 700073West BengalIndia

Active tectonics in an area includes ongoing or recent geologic *** paper investigates the tectonic influence on the subsidence,uplift and tilt of western Saurashtra through morphotectonic analysis of ten watersheds along with characteristics of relief and drainage *** 7-9 to the north(N)are tectonically active,which can be linked with the North Kathiawar Fault System(NKFS)and followed by watersheds 6,10,1,4 and ***-length gradient index and sinuosity index indicate the effect of tectonic events along the master streams in watersheds *** R^(2)values of the linear curve fit for watershed 7 indicate its master stream is much more tectonically active than the *** R^(2)curve fitting model and earthquake magnitude/depth analysis confirm the region to be *** reactivation of the NKFS most likely led to the vertical movement of western Saurashtra.

关键词： Active tectonics Geomorphology Western Saurashtra Archeology North kathiawar fault system

Synergistic enhancement of photocatalytic and antimicrobial efficacy of nitrogen and erbium co-doped ZnO nanoparticles

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Journal of Rare Earths 2024年第5期42卷 859-868,I0002页

作者： Sudipta mondal Moniruzzaman Jamal Sikder Ashikuzzaman Ayon Md Jannatul Ferdous Anik Md Muktadir Billah Department of Materials and Metallurgical Engineering Bangladesh University of Engineering and TechnologyDhaka1000Bangladesh School of Materials Engineering Purdue UniversityWest LafayetteIN47907USA Department of Materials Science and Engineering University of CaliforniaBerkeleyCA94720USA Department of Materials Science and Engineering Northwestern UniversityEvanstonI28USA

Using the chemical co-precipitation approach,a series of nitrogen(N) and erbium(Er) co-doped ZnO nanoparticles(NPs) was effectively synthesized to enhance the photocatalytic and antibacterial *** characterization techniques,including X-ray diffraction(XRD),X-ray photoelectron spectro scopy(XPS),scanning electron microscopy(SEM),UV-vis,and photoluminescence(PL) spectroscopy,were carried out to validate the evaluated photocatalytic and antibacterial *** analysis confirms the pure wurtzite ZnO phase without the presence of any secondary *** analysis confirms the succe ssful incorporation of nitrogen and erbium into the ZnO *** optical bandgap of ZnO calculated from UV-vis spectroscopy shows a redshift after Er-N co-doping,with the lowest bandgap of 3.215 eV calculated for Zn_(0.97)Er_(0.03)N_(0.01)O_(0.99) *** images demonstrate the formation of nanorods after N-Er co-doping,followed by gradually increase d rod diameter and length after N-Er ***,the photocatalytic activities of ZnO samples we re measured by their ability to facilitate the photodegradation of Rhodamine B under UV *** with 1 mol% N doping exhibits 88% photodegradation of RhB under UV light within 360 min,and the photodegradation and antibacterial activity are greatly improved with Er *** fact,3 mol% Er-1 mol% N doped ZnO NPs demonstrate the highest photocatalytic activity,with approximately 96% degradation after 360 min,as well as superior antibacterial activity against Staphylococcus aureus(Gram-positive bacteria) and Pseudomonas aeruginosa(Gram-negative bacteria) with the highest zone of inhibition(ZOI) of 16 nm,due to nanorod formation,increased reactive oxygen species(ROS),and decreased electron-hole recombination,as validated by SEM,XPS,and PL spectroscopy.

关键词： Chemical co-precipitation Co-doping Bandgap Photocatalysis Rare earths Antimicrobial

Systematic review of the efficacy of data-driven urban building energy models during extreme heat in cities:Current trends and future outlook

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Building Simulation 2024年第5期17卷 695-722页

作者： Nilabhra mondal Prashant Anand Ansar Khan Chirag Deb David Cheong Chandra Sekhar Dev Niyogi Mattheos Santamouris Department of Architecture and Regional Planning Indian Institute of Technology KharagpurKharagpurIndia Department of Geography Lalbaba CollegeUniversity of CalcuttaKolkataIndia School of Architecture Design and PlanningThe University of SydneyAustralia Department of the Built Environment National University of SingaporeSingapore Department of Geological Sciences Jackson School of GeosciencesThe University of Texas at AustinAustinUSA DepartmentofCivil Architecturaland Environmental EngineeringThe Universityof Texas at AustinAustinUSA Faculty of Built Environment University of New South WalesAustralia

Energy demand fluctuations due to low probability high impact(LPHI)micro-climatic events such as urban heat island effect(UHI)and heatwaves,pose significant challenges for urban infrastructure,particularly within urban *** short term load forecasting(STLF)of buildings in urban micro-climatic setting(UMS)is obscured by the complex interplay of surrounding morphology,micro-climate and inter-building energy *** urban building energy modelling(UBEM)approaches to provide quantitative insights about building energy consumption often neglect the synergistic impacts of micro-climate and urban morphology in short temporal *** order modelling,unavailability of rich urban datasets such as building key performance indicators for building archetypes-characterization,limit the inter-building energy dynamics consideration into *** addition,mismatch of resolutions of spatio-temporal datasets(meso to micro scale transition),LPHI events extent prediction around UMS as well as its accurate quantitative inclusion in UBEM input organization step pose another degree of *** review aims to direct attention towards an integrated-UBEM(i-UBEM)framework to capture the building load fluctuation over multi-scale spatio–temporal *** highlights usage of emerging data-driven hybrid approaches,after systematically analysing developments and limitations of recent physical,data-driven artificial intelligence and machine learning(AI-ML)based modelling *** also discusses the potential integration of google earth engine(GEE)-cloud computing platform in UBEM input organization step to(i)map the land surface temperature(LST)data(quantitative attribute implying LPHI event occurrence),(ii)manage and pre-process high-resolution spatio-temporal UBEM *** the potential of digital twin,central structed data models to integrate along UBEM workflow to reduce uncertainties related to building archetype characterizat

关键词： urban heat island(UHI) urbanmicro-climate urban morphology urban building energy modelling(UBEM) digitaltwin shorttermload forecasting(STLF) googleearthengine(GEE)

Type 2 diabetes in children and adolescents:Exploring the disease heterogeneity and research gaps to optimum management

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World Journal of Clinical Pediatrics 2024年第2期13卷 80-99页

作者： Subhodip Pramanik Sunetra mondal Rajan Palui Sayantan Ray Department of Endocrinology Neotia Getwel Multi-specialty hospitalSiliguri 734010West BengalIndia Department of Endocrinology NRS Medical College and HospitalKolkata 700014West BengalIndia Department of Endocrinology All India Institute of Medical SciencesBhubaneswarBhubaneswar 751019OdishaIndia

Over the past 20 years,the incidence and prevalence of type 2 diabetes mellitus(T2DM)in children and adolescents have increased,particularly in racial and ethnic *** the rise in T2DM in children and adolescents,the pathophysiology and progression of disease in this population are not clearly ***-onset T2DM has a more adverse clinical course than is seen in those who develop T2DM in adulthood or those with ***,the available therapeutic options are more limited for children and adolescents with T2DM compared to adult patients,mostly due to the challenges of implementing clinical trials.A better understanding of the mechanisms underlying the development and aggressive disease phenotype of T2DM in youth is important to finding effective prevention and management *** review highlights the key evidence about T2DM in children and adolescents and its current burden and challenges both in clinical care and research activities.

关键词： Type 2 diabetes mellitus Children and adolescents Pathophysiology Heterogeneity Complications Treatment options Barriers

An overlapping grid spectral collocation analysis on a newly developed hybrid nanofluid flow model

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Propulsion and Power Research 2024年第1期13卷 98-117页

作者： Amir Yaseen Khan Musawenkhosi Patson Mkhatshwa Sabyasachi mondal Melusi Khumalo Noor Fadiya Mohd Noor Department of Mathematics Amity UniversityKolkataNewtown 700135West BengalIndia Department of Mathematical Sciences University of South AfricaCnr Christian de Wet Rd&Pioneer AvenueFlorida 1709South Africa Department of Mathematics North-Eastern Hill UniversityShillong 793022MeghalayaIndia Institute of Mathematical Sciences University of Malaya50603 Kuala LumpurMalaysia

The present study investigates the axisymmetric stagnation point radiativeflow of a Cu-Al2O3/water hybrid nanofluid over a radially stretched/shrunk *** this paper,a new mathematical model has been developed by taking into consideration the concept of different nanoparticles concentration in a hybrid nanofluid,which are Brownian motion and thermophor-esis of nanoparticles.A new model for entropy generation has also been provided in the present *** non-dimensional governing equations of the developed mathematical model are solved using newly developed and efﬁcient overlapping grid spectral collocation *** stability and residual error test are provided here to show the accuracy of the numer-ical method in this mathematical *** outcomes offluidflow,temperature,and two different types of concentration proﬁles are depicted,and described in graphical and tabular *** the limiting instances,comparison shows excellent agreement among current and results established in the *** the strength of magneticﬁeld is seen to increase the radial component offluid velocity as well as the entropy generated within the *** different nanofluid concentration proﬁles are increasing and decreasing with rising thermophor-esis and Brownian motion parameters,respectively,from a particular height above the disk because of the revised nanofluid boundary *** proﬁle increases here with increasing Biot number,and increasing Brinkman number causes higher entropy generation number for both stretching and shrinking *** enhanced thermal characteristics of the hybrid nanofluid over the single particle nanofluid has been observed.ª2024 The *** services by Elsevier *** behalf of KeAi Communications ***.

关键词： Axisymmetricflow Hybrid nanofluid Thermal radiation Overlapping grid method Entropy generation