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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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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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COX-2 polymorphisms-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 morsche Hennie mJ Roelofs Elise mJ van der Logt Fokko m nagengast Wilbert hm Peters Department of Gastroenterology Radboud University Nijmegen Medical Center6500 HB NijmegenThe Netherlands

AIm： TO determine the possible modulating effect of the COX-2 polymorphisms, -765G→C and -1195A→G, on the risk of colorectal cancer （CRC） in a Dutch population. mETHODS： This case-control study includes 326 patients with CRC and 369 age- and gender-matched controls. Genotypes of the COX-2 polymorphisms -7dEG→C and -1195A→G were determined by polymerase chain reaction-based restriction fragment length polymorphism. COX-2 genotypes and haplotypes were analyzed and odds ratios with 95% confidence intervals were estimated 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 polymorphism 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 seems to protect against CRC. These findings suggest a modulating role for the COX-2 polymorphisms -765G→C and -1195A→G in the development of CRC in a Dutch population.

关键词： Colorectal carcinoma Cyclooxygenase-2 Genetic polymorphism

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A Whitecap Coverage model Based on the Surface Slope For Criterion of Wave Breaking

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China Ocean Engineering 1998年第1期13卷 73-85页

作者： Xu, DL Yu, DY Lu, hm Ocean Univ Qindao Phys Oceanog Lab Qingdao 266003 Peoples R China Ocean Univ Qindao Sch Engn Qingdao 266003 Peoples R China

Using the limit surface slope as a criterion of wave breaking, a simple model for estimating the spatial fraction of breaking surface of sea at an instant, which is regarded as the whitecap coverge in this paper, is analytically derived from the probability density of surface slope based on Gaussian statistics. The resulting fraction is found depending on the fourth moment of wave spectum, m(4), as well as the critical threshold of surface slope. By expressing the fourth moment in terms of the neumann spectrum, a formula linking the fraction and wind speed for fully developed sea states is obtianed. Another formula relating the fraction to both wind speed and fetch (or duration) is achieved by expressing m, in terms of the Krylov spectrum and applying the empirical relationships used in the SmB ocean wave predicting technique. A comparison between these results and the field data of whitecap coverage collected by monahan and O'muircheartuigh shows an encouraging agreement.

关键词： whitecap coverage criterion of wave breaking wind speed wind fetch wind duration fully developed sea state fetch-limited sea state

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Evaluation of diameter 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 innerdiameter distribution of open carbon nanotubes (CnTs) is the basis of systematic investigation of physico-chemical processes occurring in nano-sized quasi-1-dimensional carbons. Due to the porosity characteristics and adsorption properties, this study evaluated the innerdiameter and its distribution of carbon nanotubes by analyses of nitrogen cryo-adsorption isotherms, and proved that the gas adsorption method is an effective method to characterize the inner cavity structure in comparison with that of electron microscopy observations and Raman measurements. The advantages of this method are as follows: Firstly, statistical information for innerdiameter distribution of open nanotubes can be obtained; Secondly, the method based on the adsorption process in inner cavities is of importance for investigation of other physico-chemical pro- cesses inside the cavities of carbon nanotubes. And finally, if combining with other characterization methods, complete structural information

关键词： carbon nanotubes (CnTs) innerdiameter distribution gas adsorption method adsorption isotherm.

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Periodic surface structures fabricated by one excimer laser pulse through a silica phase mask grating

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Chinese Science Bulletin 1997年第21期42卷 1787-1792页

作者： Luo, GP Wu, hm Wang, m Zhu, Sn Lu, YQ Liu, ZG Wei, Y ming, nB nanjing Univ Natl Lab Solid State Microstruct Nanjing 210093 Peoples R China

RECEnTLY, excimer laser devices, which have higher-energy density output in pulsed ultravio-let (UV) light (193 or 248 nm), have been employed to generate some thin film struc-tures. The principle of this technique, which is also called pulsed laser deposition (PLD)technique, is that the exposed material could be ablated out of the sample by the focusing laserbeam, and redeposit on a substrate to form thin-film structures under certain conditions. Onthe other hand, researchers have obtained high-quality Bragg gratings in photosensitive

关键词： excimer laser pulse phase mask grating periodic surface structures.

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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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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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Identification of serum proteins discriminating colorectal cancer patients and healthy controls using surface-enhanced laser desorption ionisation-time of flight mass spectrometry

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World Journal of Gastroenterology 2006年第10期12卷 1536-1544页

作者： Judith Ymn Engwegen Helgi H Helgason Annemieke Cats nathan Harris Johannes mG Bonfrer Jan hm Schellens Jos H Beijnen Department of Pharmacy and Pharmacology The netherlands Cancer Institute/Slotervaart Hospital AmsterdamThe Netherlands Department of medical Oncology The netherlands Cancer Institute/Antoni van Leeuwenhoek Hospital AmsterdamThe Netherlands Department of Gastroenterology and Hepatology The netherlands Cancer Institute/Antoni van Leeuwenhoek Hospital AmsterdamThe Netherlands Ciphergen Biosystems Inc. Freemont CaliforniaUnited States Department of Clinical Chemistry The netherlands Cancer Institute/Antoni van Leeuwenhoek Hospital AmsterdamThe Netherlands Utrecht University Faculty of Pharmaceutical Sciences Department of Biomedical analysisUtrechtThe Netherlands

AIm： To detect the new serum biomarkers for colorectal cancer （CRC） by serum protein profiling with surfaceenhanced laser desorption ionisation - time of flight mass spectrometry （SELDI-TOF mS）. mETHODS： Two independent serum sample sets were analysed separately with the ProteinChip technology （set A： 40 CRC ＋ 49 healthy controls; set B： 37 CRC ＋ 31 healthy controls）, using chips with a weak cation exchange moiety and buffer pH 5. Discriminative power of differentially expressed proteins was assessed with a classification tree algorithm. Sensitivities and specificities of the generated classification trees were obtained by blindly applying data from set A to the generated trees from set B and vice versa. CRC serum protein profiles were also compared with those from breast, ovarian, prostate, and non-small cell lung cancer. RESULTS： mass-to-charge ratios （m/z） 3.1×10^3, 3.3× 10^3, 4.5×10^3, 6.6×10^3 and 28×10^3 were used as classitiers in the best-performing classification trees. Tree sensitivities and specificities were between 65% and 90%.Host of these discriminative m/z values were also different in the other tumour types investigated. m/z 3.3× 10^3, main classifier in most trees, was a doubly charged form of the 6.6× 10^3-Da protein. The latter was identified as apolipoprotein C-I. m/z 3.1×10^3 was identified as an n-terminal fragment of albumin, and m/z 28× 10^3 as apolipoprotein A-I. COnCLUSIOn： SELDI-TOF mS followed by classification tree pattern analysis is a suitable technique for finding new serum markers for CRC. Biomarkers can be identified and reproducibly detected in independent sample sets with high sensitivities and specificities. Although not specific for CRC, these biomarkers have a potential role in disease and treatment monitoring.

关键词： Proteomics Colorectal cancer Biomarker Sensitivity Specificity

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