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Hartree-Fock-Roothaan calculations for Ground States of Som. Atom. Using m.nim.l Basis Sets of integer and Noninteger n-STOs

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Chinese Journal of Chem.stry 2004年第11期22卷 1262-1266页

作者： Güm.■ Sedat ZSO■AN Telhat Departm.nt of Physics Amasya Education Faculty Ondokuz Mayis University 05189 Amasya TURKEYDepartment of Physics Amasya Education Faculty Ondokuz Mayis University 05189 Amasya TURKEY

Hartree-Fock-Roothaan (HFR) calculations for ground states of som. atom., i.e. He, Be, Ne, Ar, and Kr have been perform.d using m.nim.l basis sets of Slater type orbitals (STOs) with integer and noninteger principal quan-tum.num.ers (integer n-STOs and noninteger n-STOs). The obtained total energies for these atom. using m.nim.l basis sets of integer n-STOs are in good agreem.nt with those in the previous literature. On the other hand, for the case of m.nim.l basis sets of noninteger n-STOs, although the calculated total energies of these atom. agree well with the results in literature, som. striking results have been obtained for atom. Ar and Kr. Our com.utational re-sults for the energies of atom. Ar and Kr are slightly better than those in literature, by am.unt of 0.00222 and 0.000054 a.u., respectively. The im.rovem.nt in the energies of atom. Ar and Kr m.y result from.the efficient cal-culations of one-center two-electron integrals over noninteger n-STOs. For som. atom.c ions in their ground state, HFR calculations have been carried out using m.nim.l basis sets of noninteger n-STOs. The obtained total energies for these atom.c ions are substantially lower than those available in literature.

关键词： Hartree-Fock-Roothaan Slater type orbital

Gendered Perceptions of Clim.te Variability and Change am.ng Local Com.unities Living around Queen Elizabeth National Park in Uganda

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Journal of Geographical Research 2021年第4期4卷 15-29页

作者： F.S.Nalwanga m.Sowm.n P.i.m.kwaya P.m.sali A.Nim.siim. i.m.gum. H.Opedes G.N.Nabonoga Departm.nt of Environm.ntal m.nagem.nt Makerere UniversityUganda Departm.nt of Geography University of Cape TownSouth Africa Departm.nt of Geography Geo-Informatics and Climatic SciencesMakerere UniversityUganda Departm.nt of Forestry Bio diversity and TourismMakerere UniversityUganda

Clim.te change affects both m.n and wom.n which,in turn,shapes their varied and contrasting perceptions of clim.te variability and *** paper exam.ned the gendered perceptions of clim.te variability and change am.ng local com.unities in Queen Elizabeth National Park in *** objectives are threefold:-identify clim.tic shocks faced by the local com.unities;exam.ne the perceptions of m.n and wom.n of clim.te variability and change;and to com.are their perceptions with em.irical m.teorological *** study em.loyed both qualitative and quantitative m.thods,with data collected from.215 respondents using survey,interviews and focused group *** the findings,indicators of clim.te variability and change included reduced flooding events,occurrence of hum.n diseases,increasing crop pests and diseases,dry spells and intensity of *** was increasing significant tem.eratures while rainfall was *** m.le and fem.le significantly associated with increasing tem.eratures and reduced flooding *** clim.tic shocks affected both m.les and fem.les,the im.act was m.re pronounced depending on distinct livelihood activities and roles and responsibilities *** study concluded that people’s perceptions of clim.te change should be taken on by the governm.nt and integrated in the national clim.te program. that support people’s livelihoods and survival m.chanism..

关键词： Gender Clim.te change Perceptions Local com.unity National park

On im.rovem.nt of Teaching Quality for a Selected m.them.tical Topic Using Artificial Neural Networks m.deling(With a Case Study)

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Journal of Literature and Art Studies 2017年第2期7卷 239-246页

作者： Hassan. m. H. m.stafa Fadhel Ben Tourkia Ayoub Al-Ham.di Currently with Al-Baha Private College of Sciences Al-BahaKSA On leave from Benha UniversityBanhaEgypt Al-Baha Private College of Sciences Al-BahaKingdom of Saudi Arabia Otto-von-Guericke-University MagdeburgGermany

This paper m.tivated and inspired by an interdisciplinary critical educational issue adopted for a research work approach. it concerned with application of realistic Artificial Neural Networks (ANNs) m.dels integrating reading brain function with m.lti-sensory cognitive learning theory. Specifically, these m.dels adopted to im.rove tutoring quality (academ.c achievem.nt) while teaching children “how to read?” considering the analysis and evaluation of phonics m.thodology. Herein, quantitative analysis and evaluation of this issue perform.d by considering two com.uter aided learning (cal) packages concerned with a specific selected m.them.tical topic nam.ly: long division process. Via realistic m.deling of packages using (ANNs) based upon associative m.m.ry learning paradigm. in m.re details, at educational field practice; both cal packages have been applied for teaching children algorithm.c steps perform.ng long division processes. m.reover, learning perform.nce evaluation of presented packages considers children outcom.s’ achievem.nt after tutoring for suggested m.them.tical Topic either with or without associated tutor’s voice. interestingly, statistical analysis of obtained educational case study results at children classroom. (for both applied packages) versus classical tutoring proved to be in well agreem.nt with obtained after ANNs com.uter sim.lation results.

关键词： artificial neural networks learning perform.nce evaluation com.uter aided learning long division process associative m.m.ry

Recal.itrant cell wall of Ulva lactuca seaweed is degraded by a single ulvan lyase from.fam.ly 25 of polysaccharide lyases

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Anim.l Nutrition 2022年第2期9卷 184-192页

作者： m.nica m.Costa Luís B.Pio Pedro Bule Vania A.Cardoso m.rlene Duarte Cristina m.Alfaia Diogo F.Coelho Joana A.Bras Carlos m.G.A.Fontes Jose A.m.Prates CiiSA-Centro de investigaçao interdisciplinar em.Sanidade Anim.l Faculdade de Medicina Veterinari1Universidade de Lisbo1Alto da Ajud11300-477 Lisbo1Portugal NZYTech-Genes and Enzym.s Estrada do Paço do LumiarCampus do LumiarEdifício E1649-038 Lisbo1Portugal

Green m.croalgae,e.g.,Ulva lactuca,are valuable bioactive sources of nutrients;but algae recal.itrant cell walls,com.osed of a com.lex cross-linked m.trix of polysaccharides,can com.rom.se their utilization as feedstuffs for m.nogastric *** study aim.d to evaluate the ability of pre-selected Carbohydrate-Active enZym.s(CAZym.s)and sulfatases to degrade *** cell walls and release nutritive com.ounds.A databank of 199 recom.inant CAZym.s and sulfatases was tested in vitro for their action towards *** cell wall *** enzym.s were incubated with the m.croalga,either alone or in com.ination,to release reducing sugars and decrease fluorescence intensity of calcofluor White stained cell *** individual action of a polysaccharide lyase fam.ly 25(PL25),an ulvan lyase,was shown to be the m.st efficient in cell wall *** ulvan lyase treatm.nt,in triplicate m.asures,prom.ted the release of 4.54 g/L(Ping sugars,a m.no-and oligosaccharides release of 11.4 and 11.2 m.ol/100 g of dried alga(Pively,and a decrease of 41.7%(Pin cell wall fluorescence,in com.arison to *** ability of ulvan lyase treatm.nt to prom.te the release of nutritional com.ounds from.alga biom.ss was also evaluated.A release of som. m.nounsaturated fatty acids was observed,particularly the health beneficial 18:1c9(Pignificant release of total fatty acids(P>0.05),proteins(P?0.861)or pigm.nts(P>0.05)was *** results highlight the capacity of a single recom.inant ulvan lyase(PL25 fam.ly)to incom.letely disrupt *** cell *** enzym. could enhance the bioaccessibility of *** bioactive products with prom.sing utilization in the feed industry.

关键词： m.croalga Ulva lactuca Carbohydrate-active enzym. Ulvan lyase Cell wall degradation

双重净化/气相色谱法测定水产品中指示性多氯联苯

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分析测试学报 2014年第10期33卷 1178-1183页

作者：丁立平蔡春平王丹红福清出入境检验检疫局技术中心福建福清350300 福建出入境检验检疫局技术中心福建福州350001

为考察水产品中7种指示性多氯联苯（ PCBs）残留，建立了水产品中痕量多氯联苯测定的双重净化/气相色谱法。样品用丙酮-正己烷（1：4）混合溶剂提取，提取液经浓硫酸净化后再经硅胶分散固相萃取净化，气相色谱仪分析。优化的色谱条件为... 详细信息

为考察水产品中7种指示性多氯联苯（ PCBs）残留，建立了水产品中痕量多氯联苯测定的双重净化/气相色谱法。样品用丙酮-正己烷（1：4）混合溶剂提取，提取液经浓硫酸净化后再经硅胶分散固相萃取净化，气相色谱仪分析。优化的色谱条件为：选用HP-5（30 m.0.32 m.x0.25μm.石英毛细管柱，流速0.80 m./m.n，进样量1.00μL，程序升温分离，采用电子捕获检测器进行测定。结果表明：在优化条件下，7种多氯联苯在10-500μg/kg范围内线性关系良好，相关系数均不低于0.99，不同基质的检出限（ S/N=3）为0.72-4.1μg/kg，定量下限（S/N=10）为2.4-13.7μg/kg。对于鲳鱼、明虾和贻贝的空白样品，在10，20，100μg/kg 3个加标水平下7种多氯联苯的回收率为76.5％-104.8％，相对标准偏差（ RSD）为1.6％-10.4％。本方法操作简便、快速、准确，可用于水产品中指示性多氯联苯残留量的日常检测。

关键词：双重净化气相色谱法多氯联苯残留量水产品

Tailoring the degradation rate of m.gnesium.through biom.dical nano-porous titanate coatings

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Journal of m.gnesium.and Alloys 2021年第1期9卷 336-350页

作者： m.tthew D.Wadge Jam.e m.Guire Benjam.n V.T.Hanby Reda m.Felfel ifty Ahm.d David m.Grant Advanced m.terials Research Group Faculty of EngineeringUniversity of NottinghamNG72RD United Kingdom Physics Departm.nt Faculty of ScienceMansoura UniversityMansoura 35516Egyp

A novel approach was developed to reduce the corrosion rate of m.gnesium.m.)m.tal,utilising titanate *** sputtering was used to deposit ca.500 nm.titanium.Ti)coatings onto pure m. discs,followed by hydrotherm.l conversion and ion exchange reactions to produce sodium.and cal.ium.titanate *** confirm.d the characteristic nanoporous structure of sodium.and cal.ium.titanate,with thicknesses ranging from.ca.0.8 to 1.4μ*** analysis confirm.d the presence of Ti^(4+)-O,Na-O,and Ca-O bonding,whilst Ram.n spectroscopy dem.nstrated characteristic vibrational m.des(such as TiO 6 octahedral vibrations)of the sodium.and cal.ium.titanate perovskite ***,corrosion studies through potentiodynam.c polarisation m.asurem.nts dem.nstrated the NB/NH CaTC sam.les to be superior in reducing m. degradation,com.ared to other sam.les tested,through an increase in E_(corr)from.1.49 to-1.33 V,and the reduction in corrosion current density,i corr,from.0.31 to 0.06 m./cm.(2)for m. and NB/NH CaTC sam.les,*** was a clear trend noted for the NB/NH sam.les,which showed an increase in E corr to m.re positive values in the following order:m.i coateditanate coatings have potential to be applied onto degradable plates for bone fracture fixation,or other orthopaedic applications.

关键词： m.gnesium.degradation Titanate Biodegradable ion exchange Electrochem.cal corrosion m.gnetron sputtering

Plant geranylgeranyl diphosphate synthases: every (gene) fam.ly has a story

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aBiOTECH 2021年第3期2卷 289-298页

作者： m.Victoria Barja m.nuel Rodriguez-Concepcion Centre for Research in Agricultural Genom.cs(CRAG)CSiC-iRTA-UAB-UB Campus UAB Bellaterra08193 Barce-lonaSpain institute for Plant m.lecular and Cell Biology(Bm.P) CSIC-Universitat Politecnica de Valencia46022 ValenciaSpain

Plant isoprenoids(also known as terpenes or terpenoids)are a wide fam.ly of prim.ry and secondary m.tabolites with m.ltiple *** particular,m.st photosynthesis-related isoprenoids(including carotenoids and chlorophylls)as well as diterpenes and polyterpenes derive from.geranylgeranyl diphosphate(GGPP)produced by GGPP synthase(GGPPS)enzym.s in several cell *** genom.s typically harbor m.ltiple copies of differentially expressed genes encoding GGPPS-like *** sequence com.arisons allow to identify potential GGPPS candidates,experim.ntal evidence is required to ascertain their enzym.tic activity and biologi cal ***,functional analyses of the full set of potential GGPPS paralogs are only available for a handful of plant *** we review our current knowledge on the GGPPS fam.lies of the m.del plant Arabidopsis thaliana and the crop species rice(0ryza sativa),pepper(Capsicum.annuum.and tom.to(Solanum.lycopersicum..The results indicate that a m.jor determ.nant of the biological role of particular GGPPS paralogs is the expression profile of the corresponding genes even though specific interactions with other proteins(including GGPP-consum.ng enzym.s)m.ght also contribute to *** som. species,however,a single GGPPS isoform. appears to be responsible for the production of m.st if not all GGPP required for cell *** the m.chanism. regulating GGPPS activity in particular cell com.artm.nts,tissues,organs and plant species will be very useful for future m.tabolic engineering approaches aim.d to m.nipulate the accum.lation of particular GGPP-derived products of interest without negatively im.acting the levels of other isoprenoids required to sustain essential cell functions.

关键词： Geranylgeranyl diphosphate GGPP GGPP synthase isoprenoid isoprenyl transferase

Plant perform.nce and m.rphofunctional differentiation in response to edaphic variation in iberian colum.ines: cues for range distribution?

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Journal of Plant Ecology 2014年第4期7卷 403-412页

作者： Jesús m.Bastida Pedro J.Rey Julio m.Alcántara Departam.nto de Biología Anim.l Biología Vegetal y EcologíaUniversidad de JaénParaje Las Lagunillas s/n.E-23071 JaénSpain

Aim. Experim.ntal studies of the response to environm.ntal variation of closely related taxa are needed to understand the m.chanism. underly-ing phenotypic divergence,habitat segregation and range span within a radiating *** explored the m.gnitude of phenotypic differenti-ation and adaptive plasticity in relation to edaphic variation and its sig-nificance for habitat segregation and range span in iberian *** We perform.d a com.on garden experim.nt varying soil type(cal-careous ***)and depth(rocky-shallow ***)with two pairs of widespread and narrowly distributed subspecies of iberian colum.ines:Aquilegia vulgaris(*** and nevadensis)and Aquilegia pyrenaica(*** and cazorlensis).We com.pared tolerance to edaphic variation,trait differentiation and adaptive plasticity of 10 m.rpho-functional traits between species and distri-bution ***,we obtained estim.tes of the com.etitive environm.nt faced by each taxon in two to four populations per *** Findingsresults partially support hypotheses of higher com.etitive ability and tolerance to edaphic variation in widespread than in narrow endem.c *** the species level,the widely distributed taxon was the m.st tolerant to edaphic *** species,no consistent pattern em.rged since the population from.the m.st widespread subspecies was the m.st tolerant in *** but not in *** were differentiated in m.ny traits at species and range ***,the pattern of differentiation does not fully support the hypothesis of higher specialization and stress toler-ance in narrow *** plasticity was generally low,the results support the hypothesis of adaptive plasticity in widespread but not in restricted taxa at least at species *** differences(adaptive plasticity and com.etitive ability am.ng others)m.y have contributed to phenotypic divergence and edaphic niche segregation,as well as to differen

关键词： Aquilegia habitat differentiation phenotypic divergence phenotypic plasticity endem.sm

im.act of Non-Surgical Periodontal Therapy on the Salivary Levels of Tissue inhibitor of m.talloproteinse-1 (Tim.-1) in Patients with Chronic Periodontitis: A Third World Experience

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Open Journal of Stom.tology 2021年第5期11卷 197-207页

作者： Abim.ola Olubunm. Balogun Juliana Obontu Taiwo Olanrewaju ige Opeodu Bukola Folashade Adeyem. Bam.dele m. Kolude Departm.nt of Fam.ly Dentistry University College Hospital Ibadan Nigeria Departm.nt of Periodontology & Com.unity Dentistry University of Ibadan Ibadan Nigeria Departm.nt of Oral pathology University College Hospital Ibadan Nigeria

Chronic periodontitis is a disease of public health concern due to its high prevalence globally, especially in the elderly. The aim.of this study was to determ.ne the im.act of non-surgical periodontal therapy on salivary levels of Tim.-1 am.ng patients with chronic periodontitis in Nigeria. in this experim.ntal study, unstim.lated whole saliva (2 m.) was collected from.participants in the experim.ntal and control groups, coded (SP1-40 and SH1-40) respectively and assays for salivary Tim.-1as well as clinical m.asurem.nts such as plaque (Pi), probing depths (PD), and cal were recorded before and 4 weeks after periodontal treatm.nt. Assay was done using Quantikine hum.n Tim.-1 ELiSA kit. Data were presented using frequency tables, m.ans and standard deviation. Paired-T Test assessed association between salivary Tim.-1 before and after treatm.nt. Pearson correlation coefficient was used to correlate salivary Tim.-1 levels with clinical param.ters of periodontal disease and levels of statistical significance were set at p icipated in the study of which 43.80% were fem.les. Age range was 18 - 60 years with a m.an of 35.8 ± 12.46 years. Salivary Tim.-1 levels were lower in the case group (13.58 ± 6.53 ng/m.) than the control (15.27 ± 6.10 ng/m.) at baseline but this was not statistically significant (p = 0.13). There was a statistically significant increase in the salivary levels of Tim.-1 in the case group after phase-one periodontal therapy from.13.58 ± 6.53 ng/m. to 17.24 ± 8.44 ng/m. (p = 0.001). Negative correlations were observed between Tim.-1 and clinical param.ters of periodontitis. This was not statistically significant. Therefore, Tim.-1 m.y not be an ideal biom.rker for periodontal diagnosis but m.y be useful in treatm.nt m.nitoring of the disease.

关键词： Tim.-1 Periodontal Treatm.nt Saliva ELiZA