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DFT investigation of half-metallic ferromagnetic rare earth based spinels mgHo_(2)Z_(4)(Z=S,Se)

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

作者： maiza Zanib mumtaz manzoor n.A.noor m.Waqas Iqbal mazia Asghar H.H.Hegazy A.Laref Department of Physics Riphah International UniversityLahore CampusPakistan research Centre for Advanced materials Science King Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Department of Physics Faculty of ScienceKing Khalid UniversityP.O.Box 9004AbhaSaudi Arabia Department of Physics and Astronomy College of ScienceKing Saud UniversityRiyadh11451Saudi Arabia

Half-metallic ferromagnetism,mechanical as well as thermoelectric properties for rare earth-based spinels mgHo_(2)Z_(4)(Z=S,Se)were investigated using density functional theory(DFT).Structural optimization was done with Perdew-Burke-Ehrenzorf(PBE)sol-generalized gradient approximation(GGA)to calculate the lattice constant of both spinels comparable to experimental *** addition,Born stability criteria and negative formation energy show that our studied spinels are also structurally and dynamically stable in the cubic *** ferromagnetic(Fm)state stability,we also calculated the energy differences among Fm,antiferromagnetic(AFm),and non-magnetic(nm)***,Curie temperatures of ferromagnetic phases were also *** used Trans-Blaha improved BeckeJohnson(TB-mBJ)potential functional for electronics as well as magnetic characteristics,which lead to the consistent explanation of half-metallic ferromagnetism,representing the whole band-occupancy in material with exact detail of density of states(DOS).The stable Fm state was examined in spinels due to the exchange splitting of Ho cation consisting of p-d hybridizations compatible with the result achieved for electronics band structure and ***,spin magnetic moment was explained in terms of anion,cation,and sharing charge on studied *** addition,the calculated thermoelectric properties clearly show that operation range of these systems may be utilized by future experimental works for identifying the potential applications of these systems.

关键词： Ho-based spinels DFT simulations mechanical parameters Electronic properties hm ferromagnetism Figure of merit

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mUSCL TYPE SCHEmES AnD DISCrETE EnTrOPY COnDITIOnS

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Journal of Computational mathematics 1997年第1期15卷 72-80页

作者： Zhao, n Wu, hm nAnJInG UnIV DEPT AERODYNAMNANJING 210008PEOPLES R CHINA CHInESE ACAD SCI STATE KEY LAB SCI & ENGN COMPICMSECBEIJINGPEOPLES R CHINA

In this paper, the semi-discrete entropy conditions with so called the proper discrete entropy flux of a class of high resolution mUSCL type schemes are discussed for genuinely nonlinear scalar conservation laws. It is shown that the high resolution schemes satisfying such;semi-discrete entropy conditions cannot preserve second order accuracy in the rarefaction region.

关键词： Computational fluid dynamics Convergence of numerical methods nonlinear equations numerical methods

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STUDIES On DErIVATIVES OF CLErODAnE DITErPEnOIDSFrOm AJUGA DECUmBEnS

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Chinese Chemical Letters 1996年第6期7卷 549-552页

作者： Chen, hm Xie, n min, ZD nAnKAI UnIV INST ELEMENTOORGAN CHEMTIANJIN 300071PEOPLES R CHINA CHInA PHArmACEUT UnIV DEPT PHYTOCHEMNANJING 210009PEOPLES R CHINA

Some derivatives of neo-clerodane diterpenes ajugacumbin A and B isolated from Ajuga decumbens were prepared by various chemical transformations, and the results achieved in the biological assay as insect antifeedants...

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Hematology and Some Biochemical Parameters of Wild rodents in Pistachio Gardens of Kerman 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： mADJDZADEH Sm ABBASnEJAD m TAKALLOOZADEH hm mammalian Biodiversity research Unit Department of Biology Faculty of Sciences Shahid Bahonar University of Kerman 76169-14111 Kerman Iran Department 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 Kerman Province, Southeast Iran from 2007 to 2009, then some physiological parameters of them were measured. The samples were identified as follow: nesokia indica, meriones persicus, meriones lybicus and Tatera indica. Blood samples were obtained from the heart, then the blood parameters (glucose, cholesterol, triglyceride, total protein, HDL, red and white blood cell number) in wild species of rodents and laboratory rat were compared. The results showed that there were no significant differences in serum glucose, triglyceride, HDL and total protein levels among different experimental groups. The concentration of cholesterol in T. indica was more than that in n. indica (P numbers of red blood cells also showed significant difference between wild garden rodent species and laboratory rat (P numbers of white blood cells showed no significant difference.

关键词： rodents hematological parameter biochemical parameter pistachio gardens Kerman Province, Iran

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Dose-dependent effect of histamine on antibody generation in vivo

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Asian Pacific Journal of Tropical medicine 2010年第2期3卷 112-116页

作者： Tripathi T Shahid m Khan hm Khan rA Siddiqui mU DePartment of Biochemistry Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Department of microbiology Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Department of Pharmacology Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University Department of Biochemistry Faculty of MedicineJawaharlal Nehru Medical College and HospitalAligarh Muslim University

Objective:To delineate immunomodulatory role of histamine on antibody generation pr of ile in rabbit in the present dose-dependent histamine ***:The cohort comprised of three groups(Ⅲ,ⅣandⅤ),containing six rabbits each,and received subcutaneous histamine 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 immunized on the 3rd day with intravenous injection of sheep blood cell(SrBC)(1×10 cells/mL).GroupⅡ(positive control)(n=6) received vehicle(sterile distilled water) and immunized at day 3 similarly while groupⅠ(negative control) (n=6) remained non-immunized and received only *** experimentations were performed in *** samples were collected on pre-immunization(pre-I)(day 0),as well as on days 7-,14-,21-,28- and 58- post-immunization(post-I).Immunological parameters[total immunoglobulins(Igs),Igm and IgG]were analyzed by enzyme linked immunosorbent assay (ELISA) ***:Histamine 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(Pnclusions:Our results provide evidence that histamine 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 histamine.

关键词： Histamine Immumomodulation T-cell dependent antibody response Humoral immune response SrBC

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Growth of the Earthworm millsonia omodeoi and Its Capacity to Accumulate Five Heavy metals (hm) in Soils along a Toll Highway in Côte d’Ivoire

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Open Journal of Soil Science 2024年第1期14卷 115-132页

作者： mamadou Toure Kpan Kouakou Gains Kpan n’guetta moïse Ehouman Seydou Tiho Laboratory of Ecology and Sustainable Development (LEDD) Department of Natural Sciences (UFR SN) University Nangui ABROGOUA Abidjan C&#244te d’Ivoire

The roads in correlation with the traffic linked to their existences are at the origin of the emission of numerous polluting substances likely to induce disturbances of the growth and the behavioral changes in the organisms living in their vicinities. The purpose of this study is to analyze the growth and capacity accumulation of a common earthworm species (millsonia omodeoi) in Cu, Cr, ni, Pb and Zn in soils along a main road called “Autoroute du nord” in C?te d’Ivoire. Thus, the earthworms were harvested in soils from a distance of 0 m (just after the sidewalk) to a distance of 200 m from the toll highway and in a control soil sampled in Lamto reserve (C?te d’Ivoire). The study was carried out in the soil laboratory at the ecological station of Lamto reserve. The Ford-Walford technique was used to determine the model and parameters most appropriated for describing the growth of earthworms. A pairwise comparison of the growth parameters was carried out using the Kruskal-Wallis test with the STATISTICA 7.1 software. The heavy metals contained in the cultivated soils and earthworms were detected and quantified using a Scanning Electron micro-scope (mEB FEG Supra 40 VP Zeiss) and an Atomic Absorption Spectrometer SPECTrA 110 (VArIAn). The capacity accumulation of heavy metals in earthworm was determined by the bioaccumulation factor (BAF) calculation. The results of this study showed that Gompertz is the most appropriated model to describe the growth of m. omodeoi. The life cycle of m. omodeoi shows that this earthworm adopts a K type demographic strategy. Cu is the most accumulated heavy metals in m. omodeoi, when Cr is the least accumulated. Concerning heavy metal content in the earthworms, it decreases while moving away from the pavement. These results highlight a possibility of choice of m. omodeoi as 1) indicators of heavy metals pollution and 2) target of biological organisms for environmental impact studies.

关键词： m. omodeoi Bioaccumulation Heavy metals “Autoroute du nord” Côte d’Ivoire

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Synthesis of dimeric estradiol enzyme model containing imidazolyl and study on its catalytic efficiency in hydrolysis of carboxylates and phosphates

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Chinese Journal of Chemistry 1997年第5期15卷 438-442页

作者： Yan, Jm Xie, rG Zhao, hm Wu, DX Xia, PF Sichuan Univ Dept Chem Chengdu 610064 Sichuan Peoples R China Sichuan normal Coll Dept Chem Chengdu 610041 Sichuan Peoples R China

Dimeric estradiol enzyme model (2) was synthesized by etherification of 2,4-bis(n-imidazolylmethyl)-17β-estradiol (1) with 1,3-dibromopropane in the presence of anhydrous K2CO3. Hydrolysis of carboxylates and phosphates catalyzed by the model showed michaelis-menten kinetic behavior. Hydrophobic interaction between the model and ester accelerates the hydrolysis markedly, rate enhancement of up to 65 and 285 fold, relative to imidazole, is observed.

关键词： Dimeric estrogen enzyme model compound catalytic hydrolysis carboxylate phos- phate

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Homogenization in clay barriers and seals:Two case studies

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Journal of rock mechanics and Geotechnical Engineering 2013年第3期5卷 191-199页

作者： A.Gens B.Valleján m.T.Zandarín m.Sánchez Department of Geotechnical Engineering and Geosciences Universitat Politècnica de Catalunya Zachry Department of Civil Engineering Texas A&M UniversityCollege Station

The paper presents two case studies that provide information on the process of homogenization of initially heterogeneous clay barriers and seals. The first case is the canister retrieval test performed in the Asp0 Hard rock Laboratory （Sweden）. The heterogeneity arises from the use of a combination of blocks and pellets to construct the engineered barrier. The degree of homogenization achieved by the end of the tests is evaluated from data obtained during the dismantling of the test. To assist in the interpretation of the test, a fully coupled thermo-hydro-mechanical （Thm） analysis has been carried out. The second case involves the shaft sealing test performed in the HADES underground research laboratory （UrL） in mol （Belgium）. Here the seal is made up of a heterogeneous mixture of bentonite pellets and bentonite powders. In addition to the full scale test, the process of homogenization of the mixture has also been observed in the laboratory using X-ray tomography. Both field test and laboratory tests are successfully modelled by a coupled hydro-mechanical （hm） analysis using a double structure constitutive law. The paper concludes with some considerations on the capability of highly expansive materials to provide a significant degree of homogenization upon hydration.

关键词： nuclear waste disposal Clay barriers Clay seals Heterogeneity Compacted soils Coupled analyses Unsaturated soils

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Autosomal dominant polycystic liver disease in a family without polycystic kidney disease associated with a novel missense protein kinase C substrate 80K-H mutation

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World Journal of Gastroenterology 2005年第48期11卷 7690-7693页

作者： ramón Peces Joost PH Drenth rene hm te morsche Pedro González Carlos Peces Section of nephrology Department of medicine Section of Digestive Hospital General La mancha-Centro Computer Science Superior School

Polycystic liver disease (PLD) is characterized by the presence of multiple bile duct-derived epithelial cysts scattered in the liver parenchyma. PLD can manifest itself in patients with severe autosomal dominant polycystic kidney disease (ADPKD). Isolated autosomal dominant polycystic liver disease (ADPLD) is genetically distinct from PLD associated with ADPKD, although it may have similar pathogenesis and clinical ***, mutations in two causative genes for ADPLD,independently from ADPKD, have been identified. We report here a family (a mother and her daughter) with a severe form of ADPLD not associated with ADPKD produced by a novel missense protein kinase C substrate 80K-H (PrKCSH) mutation (r281W). This mutation causes a severe phenotype, since the two affected subjects manifested signs of portal hypertension. Doppler sonography, computed tomography (CT) and magnetic resonance (mr) imaging are effective in documenting the underlying lesions in a non-invasive way.

关键词： ADPLD Hepatic cysts Hepatocystin Inferior vena cava compression Polycystic liver disease Portal hypertension

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Haplotype of prostaglandin synthase 2/cyclooxygenase 2 is involved in the susceptibility to inflammatory bowel disease

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World Journal of Gastroenterology 2005年第38期11卷 6003-6008页

作者： David G Cox J Bart A Crusius Petra hm Peeters H Bas Bueno-de-mesquita A Salvador Pe(n|~)a Federico Canzian International Agency for research on Cancer Laboratory of Immunogenetics Julius Center for Health Sciences and Primary Care Department of Epidemiology Laboratory of Immunogenetics and Department of Gastroenterology

AIm： Prostaglandin G/H synthase 2 （PTGS2 or COX2） is one of the key factors in the cellular response to inflammation. PTGS2 is expressed in the affected intestinal segments of patients with inflammatory bowel diseases （IBD）. In IBD patients, non-steroidal anti-inflammatory drugs, which have been shown to reduce both the production and activity of PTGS2, may activate IBD and aggravate the symptoms. We aimed at examining genetic variants of PTGS2 that may be risk factors for IBD. mETHODS： We genotyped 291 individuals diagnosed with IBD and 367 controls from the Dutch population for the five most frequent polymorphisms of the PTG52 gene. Clinical data were collected on all patients. DnA was extracted via normal laboratory methods. Genotyping was carried out using multiplex PCr followed by the Invader Assay and the 5＇ exonuclease assay （Taqman）. new polymorphism screening was performed by pre-screening with denaturing high-performance liquid chromatography, followed by fluorescent sequencing. rESULTS： Allele 5209G was weakly associated with Crohn＇s disease （odds ratio [Or] 1.63, 95% confidence interval [CI] 1.03-2.57）, and allele 8473T with ulcerativecolitis （Or 1.50, 95%CI 1.00-2.27）. The haplotype including both alleles showed a strong association with IBD （Or 13.15, 95%CI 3.17-116.15）. This haplotype, while rare （-0.3%） in the general population, is found more frequently in patients （3.5%）. COnCLUSIOn： Our data suggest that this haplotype of PTGS2 contributes to the susceptibility of IBD.

关键词： Inflammatory bowel disease Prostaglandin G/H synthase Cyclooxygenase SnP Haplotype

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