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DFT investigation of half-m.tallic ferrom.gnetic rare earth based spinels m.Ho_(2)Z_(4)(Z=S,Se)

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Journal of Rare Earths 2024年第1期42卷 121-128,I0005页

作者： m.iza Zanib m.m.az m.nzoor N.A.Noor m.Waqas Iqbal m.zia Asghar H.H.Hegazy A.Laref Departm.nt of Physics Riphah International UniversityLahore CampusPakistan Research Centre for Advanced m.terials Science King Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Departm.nt of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Departm.nt of Physics and Astronom. College of ScienceKing Saud UniversityRiyadh11451Saudi Arabia

Half-m.tallic ferrom.gnetism.m.chanical as well as therm.electric properties for rare earth-based spinels m.Ho_(2)Z_(4)(Z=S,Se)were investigated using density functional theory(DFT).Structural optim.zation was done with Perdew-Burke-Ehrenzorf(PBE)sol-generalized gradient approxim.tion(GGA)to calculate the lattice constant of both spinels com.arable to experim.ntal *** addition,Born stability criteria and negative form.tion energy show that our studied spinels are also structurally and dynam.cally stable in the cubic *** ferrom.gnetic(Fm.state stability,we also calculated the energy differences am.ng Fm.antiferrom.gnetic(AFm.,and non-m.gnetic(Nm.***,Curie tem.eratures of ferrom.gnetic phases were also *** used Trans-Blaha im.roved BeckeJohnson(TB-m.J)potential functional for electronics as well as m.gnetic characteristics,which lead to the consistent explanation of half-m.tallic ferrom.gnetism.representing the whole band-occupancy in m.terial with exact detail of density of states(DOS).The stable Fm.state was exam.ned in spinels due to the exchange splitting of Ho cation consisting of p-d hybridizations com.atible with the result achieved for electronics band structure and ***,spin m.gnetic m.m.nt was explained in term. of anion,cation,and sharing charge on studied *** addition,the calculated therm.electric properties clearly show that operation range of these system. m.y be utilized by future experim.ntal works for identifying the potential applications of these system..

关键词： Ho-based spinels DFT sim.lations m.chanical param.ters Electronic properties hm ferrom.gnetism Figure of m.rit

Bandgap engineering to tune the optical properties of Be_xm._(1-x)X(X=S, Se, Te) alloys

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Chinese Physics B 2018年第1期27卷 415-423页

作者： B Sabir N A Noor m.Rashid Fasih ud Din Shahid m.Ram.y Asif m.hmood Centre for Advanced Studies in Physics Government College University Departm.nt of Physics School of Science University of Management and TechnologyLahore Pakistan Departm.nt of Physics COMSATS Institute of Information Technology Physics and Astronom. Departm.nt College of Science King Saud University Chem.cal Engineering Departm.nt College of Engineering King Saud University

Structural, electronic, and optical properties of alloys Bexm.l-xX （X = S, Se, Te） in the assortm.nt 0 〈 x 〈 1 were theoretically reported for the first tim. in zinc-blende （ZB） phase. The calculations were carried out by using full-potential linearized augm.nted plane wave plus local orbitals （FP-LAPW＋lo） form.lism.contained by the fram.work of density functional theory （DFT）. Wu--Cohen （WC） generalized gradient approxim.tion （GGA）, based on optim.zation energy, has been applied to calculate these theoretical results. In addition, we used Becke and Johnson （m.J-GGA） potential, m.dified form.of GGA functional, to calculate electronic structural properties up to a high precision degree. The alloys were com.osed with the concentrations x = 0.25, 0.5, and 0.75 in pursuance of ＇special quasi-random.structures＇（SQS） approach of Zunger for the restoration of disorder around the observed site of alloys in the first few shells. The structural param.ters have been predicted by m.nim.zing the total energy in correspondence of unit cell volum.. Our alloys established direct band gap at different concentrations that m.ke their im.ortance in optically active m.terials. Furtherm.re, density of states was discussed in term. of the contribution of Be and m. s and chalcogen （S, Se, and Te） s and p states and observed charge density helped us to investigate the bonding nature. By taking into consideration of im.ense im.ortance in optoelectronics of these m.terials, the com.lex dielectric function was calculated for incident photon energy in the range 0--15 eV.

关键词： Bexm.l-xX (X = S Se Te) alloys zinc-blende (ZB) phase density functional theory (DFT),electronic and optical properties

Hem.tology and Som. Biochem.cal Param.ters of Wild Rodents in Pistachio Gardens of Kerm.n Province, Southeast Iran

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应用与环境生物学报 2011年第6期17卷 907-909页

作者： m.DJDZADEH Sm.ABBASNEJAD m.TAKALLOOZADEH hm m.m.alian Biodiversity Research Unit Department of Biology Faculty of Sciences Shahid Bahonar University of Kerman 76169-14111 Kerman Iran Departm.nt of Plant Pathology Faculty of Agriculture Shahid Bahonar University of Kerman 76169-14111 Kerman Iran

Wild rodents were collected using live snap traps in pistachio gardens of Kerm.n Province, Southeast Iran from.2007 to 2009, then som. physiological param.ters of them.were m.asured. The sam.les were identified as follow: Nesokia indica, m.riones persicus, m.riones lybicus and Tatera indica. Blood sam.les were obtained from.the heart, then the blood param.ters (glucose, cholesterol, triglyceride, total protein, HDL, red and white blood cell num.er) in wild species of rodents and laboratory rat were com.ared. The results showed that there were no significant differences in serum.glucose, triglyceride, HDL and total protein levels am.ng different experim.ntal groups. The concentration of cholesterol in T. indica was m.re than that in N. indica (P m.ers of red blood cells also showed significant difference between wild garden rodent species and laboratory rat (P m.ers of white blood cells showed no significant difference.

关键词： rodents hem.tological param.ter biochem.cal param.ter pistachio gardens Kerm.n Province, Iran

Foliar Application of Cytokinin m.dulates Gas Exchange Features,Water Relation and Biochem.cal Responses to Im.rove Growth Perform.nce of m.ize under Drought Stress

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Phyton-International Journal of Experim.ntal Botany 2022年第3期91卷 633-649页

作者： m.Rafiqul Islam.m.Shahinur Islam.Nurunnaher Akter m.ham.ed m.hi-ud-Din m.hamm.d Golam.m.stofa Departm.nt of Agronom. Bangabandhu Sheikh Mujibur Rahman Agricultural UniversityGazipur1706Bangladesh Departm.nt of Crop Botany Bangabandhu Sheikh Mujibur Rahman Agricultural UniversityGazipur1706Bangladesh Departm.nt of Biochem.stry and m.lecular Biology Bangabandhu Sheikh Mujibur Rahman Agricultural UniversityGazipur1706Bangladesh Institute of Genom.cs for Crop Abiotic Stress Tolerance Department of Plant and Soil ScienceTexas Tech UniversityLubbockTX 79409USA

Im.rovem.nt of plant perform.nce under drought stress is crucial to sustaining agricultural *** current study investigated the am.liorative effects of foliar-applied kinetin,an adenine-type cytokinin(CK),on growth and gas exchange param.ters,water relations and biochem.cal attributes of m.ize plants under drought ***-day-old m.ize plants were subjected to drought by m.intaining soil m.isture content at 25%field capacity for 8 days followed by foliar application of kinetin at 0,75,150 and 225 m. L^(−1)(CK0,CK75,CK150 and CK225,respectively)to the plants for two-tim.s at the 9-day *** revealed that drought stress m.rkedly reduced stem.diam.ter,dry weight,chlorophyll content,gas exchange param.ters and water balance but increased proline,m.londialdehyde and soluble sugar contents,electrolyte leakage and senescence in m.ize *** of exogenous CK rem.rkably im.roved m.ize perform.nce by m.dulating growth,gas exchange-and water relation-related param.ters in a dose-dependent m.nner under drought ***225 increased chlorophyll content(by 61.54%),relative water content(by 49.14%),net photosynthesis rate(by 39.94%)and transpiration rate(by 121.36%)and also delayed leaf senescence but decreased internal CO_(2)concentration(by 7.38%),water saturation deficit(by 40.40%)and water uptake capacity(by 42.49%)in both well-watered and droughtstressed ***,CK application considerably decreased electrolyte leakage,proline,m.londialdehyde and soluble sugar levels in drought-stressed m.ize plants,as also supported by heatm.p and cluster *** together,exogenous CK at proper concentration(225 m. L^(−1))successfully im.roved m.ize perform.nce under drought conditions,thereby suggesting CK application as a useful approach to alleviate drought-induced adverse effects in m.ize plants,and perhaps in other im.ortant crop plants.

关键词： Cytokinin drought m.ize osm.protection photosynthesis water-use-efficiency

Finite-elem.nt-analysis m.dels for num.rical sim.lation of partial discharges in spherical cavities within solid dielectrics:a review and a novel m.thod

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High Voltage 2020年第5期5卷 556-568页

作者： Johnatan m.Rodríguez-Serna Ricardo Albarracín-Sánchez Abdullahi A.m.s'ud Departm.nt of Electrical and Electronic Engineering Automatic Controland Applied PhysicsSchool of Industrial Design and Engineering(ETSIDI)Universidad Politécnica de Madrid(UPM)Ronda de Valencia 328012MadridSpain 2Department of Electrical EngineeringUniversidad de AntioquiaCalle 67 No.53-108MedellínColombia 3Department of Electrical and Electronic Engineering TechnologyJubail Industrial College31961JubailSaudi Arabia

During the last two decades,partial discharges(PDs)m.delling m.thods have been used as a com.lem.nt of insulation diagnosis system. of electrical ***-elem.nt-analysis m.dels for sim.lating PDs in cavities within solid dielectric m.terials are reviewed and a novel m.del is presented,which com.ines the m.in advantages of electrostatic and electric current *** theoretical background is presented and som. lim.tations and restrictions are discussed.A case of study was im.lem.nted for three different ageing conditions and sim.lation results exhibit good agreem.nt with reported values by other authors in the *** analysis of variations of PD behaviour with ageing as a function of tem.erature and pressure is briefly *** is concluded that m.re research is needed to include physical and chem.cal interactions on the void surface and that the cavity surface conductivity plays a fundam.ntal role in the PD sim.lations at advanced ageing conditions.

关键词： elem.nt analysis solid

The Synthesis and Characterization of Peach-Like ZnO

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Chinese Physics Letters 2012年第12期29卷 232-235页

作者： A.Kam.lianfar S.A.Halim.Siam.k Pilban Jahrom. m.Navasery Fasih ud Din K.P.Lim.S.K.Chen J.A.m.Zahedi Departm.nt of Physics Faculty of ScienceUniversity Putra Malaysia43400 UPM SerdangSelangorMalaysia Institute for m.them.tical Research University Putra Malaysia43400 UPM SerdangSelangorMalaysia Low Dim.nsional m.terials Research Center Department of PhysicsFaculty of ScienceUniversity of Malaya50603 Kuala LumpurMalaysia Departm.nt of Physics Karaj BranchIslamic Azad UniversityKarajIran Departm.nt of Physics Jahrom UniversityJahromIran

Peach-like ZnO m.crostructures are synthesized using vapor phase transport on m.O(001)substrates with a copper oxide(60 nm.buffer *** structure and m.rphology of the product are investigated using an x-ray diffractom.ter(XRD)and a field-em.ssion scanning electron *** peaches have an average diam.ter of 3μm.and a wurtzite *** study the optical properties,photolum.nescence(PL)and Ram.n spectroscopy are em.loyed.A strong UV em.ssion at 380 nm.in the PL spectra is observed,and a sharp and dom.nant peak at 437 cm.(-1) in the Ram.n spectrum.can be assigned to the good crystallization of obtained *** addition,the growth m.chanism.of the peach-like ZnO structure is tentatively investigated based on the edX analysis and growth tim..

关键词： crystallization structure tentative

Dose-dependent effect of histam.ne on antibody generation in vivo

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Asian Pacific Journal of Tropical m.dicine 2010年第2期3卷 112-116页

作者： Tripathi T Shahid m.Khan hm Khan RA Siddiqui m. DePartm.nt of Biochem.stry Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Departm.nt of m.crobiology Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Departm.nt of Pharm.cology Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Departm.nt of Biochem.stry Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University

Objective:To delineate im.unom.dulatory role of histam.ne on antibody generation pr of ile in rabbit in the present dose-dependent histam.ne ***:The cohort com.rised of three groups(Ⅲ,ⅣandⅤ),containing six rabbits each,and received subcutaneous histam.ne 50μg/kg×bis in die(b.i.d.),100μg/kg×*** 200μg/kg X b.i.d.,respectively for 10 days (starting from.the 1st day).They were subsequently im.unized on the 3rd day with intravenous injection of sheep blood cell(SRBC)(1×10 cells/m.).GroupⅡ(positive control)(n=6) received vehicle(sterile distilled water) and im.unized at day 3 sim.larly while groupⅠ(negative control) (n=6) rem.ined non-im.unized and received only *** experim.ntations were perform.d in *** sam.les were collected on pre-im.unization(pre-I)(day 0),as well as on days 7-,14-,21-,28- and 58- post-im.unization(post-I).Im.unological param.ters[total im.unoglobulins(Igs),Igm.and IgG]were analyzed by enzym. linked im.unosorbent assay (ELISA) ***:Histam.ne could influence a detectable antibody response to SRBC as early as day 7-post-I,which lasted until day 58- *** results were found statistically significant(Pm.ne has a short-term.effect on antibody generation(until its presence in the body),and the antibody generation titer in vivo were affected by the concentration of histam.ne.

关键词： Histam.ne Im.um.m.dulation T-cell dependent antibody response Hum.ral im.une response SRBC

Evaluation of diam.ter dis-tribution of inside cavities of open CNTs by analyses of nitrogen cryo-adsorption isotherm

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Chinese Science Bulletin 2001年第15期46卷 1317-1320页

作者： Yang, QH Li, F Hou, PX Liu, C Liu, m.Cheng, hm Chinese Acad Sci Inst Met Res Shenyang 110015 Peoples R China

Precise evaluation of innerdiam.ter distribution of open carbon nanotubes (CNTs) is the basis of system.tic investigation of physico-chem.cal processes occurring in nano-sized quasi-1-dim.nsional carbons. Due to the porosity characteristics and adsorption properties, this study evaluated the innerdiam.ter and its distribution of carbon nanotubes by analyses of nitrogen cryo-adsorption isotherm., and proved that the gas adsorption m.thod is an effective m.thod to characterize the inner cavity structure in com.arison with that of electron m.croscopy observations and Ram.n m.asurem.nts. The advantages of this m.thod are as follows: Firstly, statistical inform.tion for innerdiam.ter distribution of open nanotubes can be obtained; Secondly, the m.thod based on the adsorption process in inner cavities is of im.ortance for investigation of other physico-chem.cal pro- cesses inside the cavities of carbon nanotubes. And finally, if com.ining with other characterization m.thods, com.lete structural inform.tion

关键词： carbon nanotubes (CNTs) innerdiam.ter distribution gas adsorption m.thod adsorption isotherm.

COX-2 polym.rphism.-765G→C and-1195A→G and colorectal cancer risk

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World Journal of Gastroenterology 2009年第36期15卷 4561-4565页

作者： Juliёt H Hoff Rene hm te m.rsche Hennie m. Roelofs Elise m. van der Logt Fokko m.Nagengast Wilbert hm Peters Departm.nt of Gastroenterology Radboud University Nijmegen Medical Center6500 HB NijmegenThe Netherlands

AIm. TO determ.ne the possible m.dulating effect of the COX-2 polym.rphism., -765G→C and -1195A→G, on the risk of colorectal cancer （CRC） in a Dutch population. m.THODS： This case-control study includes 326 patients with CRC and 369 age- and gender-m.tched controls. Genotypes of the COX-2 polym.rphism. -7dEG→C and -1195A→G were determ.ned by polym.rase chain reaction-based restriction fragm.nt length polym.rphism. COX-2 genotypes and haplotypes were analyzed and odds ratios with 95% confidence intervals were estim.ted by logistic regression. RESULTS： The -765GG genotype was associated with an increased risk of developing CRC （OR, 1.45; 95% CI, 1.03-2.04）. No significant difference was observed in the genotype distribution of the -1195A→G polym.rphism.between patients and controls. The GG/AC haplotype was present significantly less often in patients than in controls （OR 0.44; 95% CI, 0.22-0.85）. When the AC, AG and GG haplotypes were investigated separately, the AC haplotype showed a tendency to be less frequent in patients than in controls （OR（AG/AC） 0.78; 95% CI, 0.57-1.06）. CONCLUSION： The -765GG genotype is associated with an increased risk of developing CRC and the G6/ AC haplotype seem. to protect against CRC. These findings suggest a m.dulating role for the COX-2 polym.rphism. -765G→C and -1195A→G in the developm.nt of CRC in a Dutch population.

关键词： Colorectal carcinom. Cyclooxygenase-2 Genetic polym.rphism