Chiral meson masses at the critical point from QCD in the improved ladder approximation
物理学名词

1/4波片quarter-wave plateCG矢量耦合系数Clebsch-Gordan vector coupling coefficient; 简称“CG[矢耦]系数”。
X射线摄谱仪X-ray spectrographX射线衍射X-ray diffractionX射线衍射仪X-ray diffractometer[玻耳兹曼]H定理[Boltzmann] H-theorem[玻耳兹曼]H函数[Boltzmann] H-function[彻]体力body force[冲]击波shock wave[冲]击波前shock front[狄拉克]δ函数[Dirac] δ-function[第二类]拉格朗日方程Lagrange equation[电]极化强度[electric] polarization[反射]镜mirror[光]谱线spectral line[光]谱仪spectrometer[光]照度illuminance[光学]测角计[optical] goniometer[核]同质异能素[nuclear] isomer[化学]平衡常量[chemical] equilibrium constant[基]元电荷elementary charge[激光]散斑speckle[吉布斯]相律[Gibbs] phase rule[可]变形体deformable body[克劳修斯-]克拉珀龙方程[Clausius-] Clapeyron equation[量子]态[quantum] state[麦克斯韦-]玻耳兹曼分布[Maxwell-]Boltzmann distribution[麦克斯韦-]玻耳兹曼统计法[Maxwell-]Boltzmann statistics[普适]气体常量[universal] gas constant[气]泡室bubble chamber[热]对流[heat] convection[热力学]过程[thermodynamic] process[热力学]力[thermodynamic] force[热力学]流[thermodynamic] flux[热力学]循环[thermodynamic] cycle[事件]间隔interval of events[微观粒子]全同性原理identity principle [of microparticles][物]态参量state parameter, state property[相]互作用interaction[相]互作用绘景interaction picture[相]互作用能interaction energy[旋光]糖量计saccharimeter[指]北极north pole, N pole[指]南极south pole, S pole[主]光轴[principal] optical axis[转动]瞬心instantaneous centre [of rotation][转动]瞬轴instantaneous axis [of rotation]t 分布student's t distributiont 检验student's t testK俘获K-captureS矩阵S-matrixWKB近似WKB approximationX射线X-rayΓ空间Γ-spaceα粒子α-particleα射线α-rayα衰变α-decayβ射线β-rayβ衰变β-decayγ矩阵γ-matrixγ射线γ-rayγ衰变γ-decayλ相变λ-transitionμ空间μ-spaceχ 分布chi square distributionχ 检验chi square test阿贝不变量Abbe invariant阿贝成象原理Abbe principle of image formation阿贝折射计Abbe refractometer阿贝正弦条件Abbe sine condition阿伏伽德罗常量Avogadro constant阿伏伽德罗定律Avogadro law阿基米德原理Archimedes principle阿特伍德机Atwood machine艾里斑Airy disk爱因斯坦-斯莫卢霍夫斯基理论Einstein-Smoluchowski theory 爱因斯坦场方程Einstein field equation爱因斯坦等效原理Einstein equivalence principle爱因斯坦关系Einstein relation爱因斯坦求和约定Einstein summation convention爱因斯坦同步Einstein synchronization爱因斯坦系数Einstein coefficient安[培]匝数ampere-turns安培[分子电流]假说Ampere hypothesis安培定律Ampere law安培环路定理Ampere circuital theorem安培计ammeter安培力Ampere force安培天平Ampere balance昂萨格倒易关系Onsager reciprocal relation凹面光栅concave grating凹面镜concave mirror凹透镜concave lens奥温电桥Owen bridge巴比涅补偿器Babinet compensator巴耳末系Balmer series白光white light摆pendulum板极plate伴线satellite line半波片halfwave plate半波损失half-wave loss半波天线half-wave antenna半导体semiconductor半导体激光器semiconductor laser半衰期half life period半透[明]膜semi-transparent film半影penumbra半周期带half-period zone傍轴近似paraxial approximation傍轴区paraxial region傍轴条件paraxial condition薄膜干涉film interference薄膜光学film optics薄透镜thin lens保守力conservative force保守系conservative system饱和saturation饱和磁化强度saturation magnetization本底background本体瞬心迹polhode本影umbra本征函数eigenfunction本征频率eigenfrequency本征矢[量] eigenvector本征振荡eigen oscillation本征振动eigenvibration本征值eigenvalue本征值方程eigenvalue equation比长仪comparator比荷specific charge; 又称“荷质比(charge-mass ratio)”。
802_am_强子物理_乔从丰

强子物理
轻子家族
第一个轻子—电子
1931年,泡利为了解释β衰变中的能量失踪现象,预 言了一种未知的极其微小的中性粒子带走了β衰变中 那一部分能量和动量,最终被费米命名为“中微子” (Neutrino)。
1933年,费米指出:β衰变就是核内一个中子通过弱相互作 用衰变成一个电子、一个质子和一个 反中微子。中微子只 参与弱作用,具有最强的穿透力。由于中微子与物质间的相
夸克间相互作用
根据目前人类的认识,自然界有四种基本相互作用: 强相互作用、电磁相互作用、弱相互作用、万有引力
量子色动力学(QCD)是目前人类认识到的,自然 界中最基本的四种相互作用之一,是描述基本粒子 之间强相互作用的量子理论。
强相互作用
1964年,Greenberg引入了夸克的一种自由度——“颜 色”(color)夸克带颜色荷。每味夸克就有三种颜色 分别是红、绿和蓝(RGB)。
原子核 = 质子 + 中子
问题1:带正电的质子为何被束缚在一起? 问题2:质子和中子是否具有内部结构?
强子物理
原子核内的相互作用—发现介子
1935年,日本科学家汤川秀树(Yukawa Hideki,1907-1981)提出了“交换粒子”的 概念,作为新相互作用理论的基本概念。
1936年,美国科学家安德森在宇宙线中发现一 种比电子约重207倍的粒子,当时误认为就是 介子,后来发现这种粒子其实并不参与强相互 作用是一种轻子,所以改名为μ子。
1909年卢瑟福指导他的学生做了一个著 名物理实验。他们用alpha粒子轰击金箔, 发现绝大多数alpha粒子与金原子的散射角 很小,但也有少数alpha粒子散射角很大, 甚至大于90度
他们由此推断,金原子内大部分空间 是空的,质量较大并带有正电荷的部分 集中在很小的,称之为核的区域
Search for a new state of matter – the Quark-Gluon Plasma一个物质–夸克胶子等离子体的新状态搜索 43

-- multi-parton dynamics (recombination or coalescence or …)
-- Hydrodynamics (constituent quarks ? parton dynamics from gluons to constituent quarks? )
Nucleus-Nucleus Collisions and Volcanic Eruption
Volcanic high pT -- Strombolian eruption
Volcanic mediate pT – Spatter (clumps)
6
Volcanic low pT – Bulk matter flows
Evidence for Multi-parton Dynamics in Hadronization of Bulk Partonic Matter at RHIC
Huan Zhong Huang (黄焕中) Department of Physics and Astronomy
University of California Los Angeles
Rafelski+Danos, Molnar+Voloshin …..) Quark Recombination – (R.J. Fries et al, R. Hwa et al)
13
Constituent Quark Scaling
Constituent (n) Quark Scaling -- Meson n=2 and Baryon n=3 grouping
p td d td p N y d 2 1 π p td dtd p N 1 y i 12ic vo s ψ R () i)1( 0
喜马拉雅吉隆花岗伟晶岩中锂矿物的研究

2024/040(02):0484 0498ActaPetrologicaSinica 岩石学报doi:10.18654/1000 0569/2024.02.07田恩农,谢磊,王汝成等.2024.喜马拉雅吉隆花岗伟晶岩中锂矿物的研究.岩石学报,40(02):484-498,doi:10.18654/1000-0569/2024.02.07喜马拉雅吉隆花岗伟晶岩中锂矿物的研究田恩农1,2,3 谢磊1 王汝成1 吴福元4,5TIANEnNong1,2,3,XIELei1 ,WANGRuCheng1andWUFuYuan4,51 内生金属矿床成矿机制研究国家重点实验室,南京大学地球科学与工程学院,南京 2100232 河北地质大学,河北省岩石矿物材料绿色开发重点实验室,宝石与材料学院,石家庄 0500313 河北省战略性关键矿产研究协同创新中心,石家庄 0500314 中国科学院地质与地球物理研究所,岩石圈演化国家重点实验室,北京 1000295 中国科学院大学地球与行星科学学院,北京 1000491 StateKeyLaboratoryforMineralDepositsResearch,SchoolofEarthSciencesandEngineering,NanjingUniversity,Nanjing210023,China2 HebeiKeyLaboratoryofGreenDevelopmentofRockandMineralMaterials,SchoolofGemologyandMaterialsScience,HebeiGEOUniversity,Shijiazhuang050031,China3 HebeiProvinceCollaborativeInnovationCenterforStrategicCriticalMineralResearch,Shijiazhuang050031,China4 StateKeyLaboratoryofLithosphericEvolution,InstituteofGeologyandGeophysics,ChineseAcademyofSciences,Beijing100029,China5 CollegeofEarthandPlanetarySciences,UniversityofChineseAcademyofSciences,Beijing100049,China2023 10 22收稿,2023 12 29改回TianEN,XieL,WangRCandWuFY 2024 ThestudyofLi mineralsingraniticpegmatitesfromGyirong,Himalaya.ActaPetrologicaSinica,40(2):484-498,doi:10.18654/1000 0569/2024.02.07Abstract MassiveleucogranitesandgraniticpegmatiteswereexposedintheGyirongregion,themiddleofHimalayanorogen RecentstudiesreportedthattheLiminerals,suchaszinnwaldite,lepidoliteandspodumene,werefoundintheleucogranitesandgraniticpegmatitesfromtheYingxionggouandTsalungdistrictinGyriongpluton Inthisstudy,two typelithium richpegmatitesfromtheTsalungdistrictwereidentifiedbythedetailedpetrographicandmineralogicalstudies,includingspodumenepegmatiteandlepidolite elbaitepegmatite(apliteincluded).ThemajorLi richmineralsinspodumenepegmatitesarespodumene,lepidoliteandpetalitewhichisnew foundinthisstudy Especially,sokolovaite((Cs,K)Li2Al[Si4O10]F2,Cs/(Cs+K)atomicratio>0 5),Cs analoguelepidolite,isfirstlydiscoveredintheHimalayanorogen,withthemarginaloccurrenceadjacenttothelepidoliteandCs2Ocontentupto16 9% ItissuggestedthatsokolovaiteistheproductoflepidolitereactingwithlateCs richfluidsbythemineraltexture Inthelepidolite elbaiteaplite,themainLi richmineralsincludelepidoliteandelbaite Lepidolitecontains0 9%~6 7%Li2Ocontent TourmalinecontainsLi2Ocontentupto2 4%,andlowFeO,MgO,andCaOcontents(<1 1%,<0 01%and2 6%,respectively),closetotheend memberofelbaite CombinedwithabundantpolluciteandmicrolitefoundintheTsalungLi mineralizedpegmatitesinGyirongpluton,itisconfirmedthattheTsalungpegmatiteistypicalLCT(Li Cs Ta) typepegmatite,andthemineralconstitutionandtheirchemicalcompositionsdemonstratethatthepegmatiteisextremelyhigh evolved Keywords Graniticpegmatite;Aplite;Cs richlepidolite;Sokolovaite;Elbaite摘 要 喜马拉雅造山带中部的吉隆岩体出露有大量淡色花岗岩和花岗质伟晶岩,已有文献报道该岩体英雄沟和扎龙沟淡色花岗岩和伟晶岩中有铁锂云母、锂云母、锂辉石等锂矿物产出。
梁伟红(广西师范大学)

16
f0(500) production is clearly dominant.
f0(980) shows up as a small peak.
17
Exp.
Conclusion: Our results agree with the experimental results. This gives a strong support to the idea of the low lying scalar mesons as being formed from the interaction of pairs of pseudoscalar mEexspo.ns.
(2)
1 12 f2
Tr[(
)2
M4 ],
( f 93 MeV) ——the pion decay constant
There are 5 coupled channels:
(1), 0 0(2), K K (3), K 0K 0(4), (5)
The V matrix elements are taken from
VP ApJ / cos , ( A 1, for an arbitrary normalizat ion)
invariant mass (Minv ) distributi on :
~t t BJ /
B J /
( pJ / cos ),
(in the B rest frame )
• Formalism
• Results and discussions • Summary
2n
• The nature of the light scalar mesons is a topic of longstanding debate.
C.parvum全基因组序列

DOI: 10.1126/science.1094786, 441 (2004);304Science et al.Mitchell S. Abrahamsen,Cryptosporidium parvum Complete Genome Sequence of the Apicomplexan, (this information is current as of October 7, 2009 ):The following resources related to this article are available online at/cgi/content/full/304/5669/441version of this article at:including high-resolution figures, can be found in the online Updated information and services,/cgi/content/full/1094786/DC1 can be found at:Supporting Online Material/cgi/content/full/304/5669/441#otherarticles , 9 of which can be accessed for free: cites 25 articles This article 239 article(s) on the ISI Web of Science. cited by This article has been /cgi/content/full/304/5669/441#otherarticles 53 articles hosted by HighWire Press; see: cited by This article has been/cgi/collection/genetics Genetics: subject collections This article appears in the following/about/permissions.dtl in whole or in part can be found at: this article permission to reproduce of this article or about obtaining reprints Information about obtaining registered trademark of AAAS.is a Science 2004 by the American Association for the Advancement of Science; all rights reserved. The title Copyright American Association for the Advancement of Science, 1200 New York Avenue NW, Washington, DC 20005. (print ISSN 0036-8075; online ISSN 1095-9203) is published weekly, except the last week in December, by the Science o n O c t o b e r 7, 2009w w w .s c i e n c e m a g .o r g D o w n l o a d e d f r o m3.R.Jackendoff,Foundations of Language:Brain,Gram-mar,Evolution(Oxford Univ.Press,Oxford,2003).4.Although for Frege(1),reference was established rela-tive to objects in the world,here we follow Jackendoff’s suggestion(3)that this is done relative to objects and the state of affairs as mentally represented.5.S.Zola-Morgan,L.R.Squire,in The Development andNeural Bases of Higher Cognitive Functions(New York Academy of Sciences,New York,1990),pp.434–456.6.N.Chomsky,Reflections on Language(Pantheon,New York,1975).7.J.Katz,Semantic Theory(Harper&Row,New York,1972).8.D.Sperber,D.Wilson,Relevance(Harvard Univ.Press,Cambridge,MA,1986).9.K.I.Forster,in Sentence Processing,W.E.Cooper,C.T.Walker,Eds.(Erlbaum,Hillsdale,NJ,1989),pp.27–85.10.H.H.Clark,Using Language(Cambridge Univ.Press,Cambridge,1996).11.Often word meanings can only be fully determined byinvokingworld knowledg e.For instance,the meaningof “flat”in a“flat road”implies the absence of holes.However,in the expression“aflat tire,”it indicates the presence of a hole.The meaningof“finish”in the phrase “Billfinished the book”implies that Bill completed readingthe book.However,the phrase“the g oatfin-ished the book”can only be interpreted as the goat eatingor destroyingthe book.The examples illustrate that word meaningis often underdetermined and nec-essarily intertwined with general world knowledge.In such cases,it is hard to see how the integration of lexical meaning and general world knowledge could be strictly separated(3,31).12.W.Marslen-Wilson,C.M.Brown,L.K.Tyler,Lang.Cognit.Process.3,1(1988).13.ERPs for30subjects were averaged time-locked to theonset of the critical words,with40items per condition.Sentences were presented word by word on the centerof a computer screen,with a stimulus onset asynchronyof600ms.While subjects were readingthe sentences,their EEG was recorded and amplified with a high-cut-off frequency of70Hz,a time constant of8s,and asamplingfrequency of200Hz.14.Materials and methods are available as supportingmaterial on Science Online.15.M.Kutas,S.A.Hillyard,Science207,203(1980).16.C.Brown,P.Hagoort,J.Cognit.Neurosci.5,34(1993).17.C.M.Brown,P.Hagoort,in Architectures and Mech-anisms for Language Processing,M.W.Crocker,M.Pickering,C.Clifton Jr.,Eds.(Cambridge Univ.Press,Cambridge,1999),pp.213–237.18.F.Varela et al.,Nature Rev.Neurosci.2,229(2001).19.We obtained TFRs of the single-trial EEG data by con-volvingcomplex Morlet wavelets with the EEG data andcomputingthe squared norm for the result of theconvolution.We used wavelets with a7-cycle width,with frequencies ranging from1to70Hz,in1-Hz steps.Power values thus obtained were expressed as a per-centage change relative to the power in a baselineinterval,which was taken from150to0ms before theonset of the critical word.This was done in order tonormalize for individual differences in EEG power anddifferences in baseline power between different fre-quency bands.Two relevant time-frequency compo-nents were identified:(i)a theta component,rangingfrom4to7Hz and from300to800ms after wordonset,and(ii)a gamma component,ranging from35to45Hz and from400to600ms after word onset.20.C.Tallon-Baudry,O.Bertrand,Trends Cognit.Sci.3,151(1999).tner et al.,Nature397,434(1999).22.M.Bastiaansen,P.Hagoort,Cortex39(2003).23.O.Jensen,C.D.Tesche,Eur.J.Neurosci.15,1395(2002).24.Whole brain T2*-weighted echo planar imaging bloodoxygen level–dependent(EPI-BOLD)fMRI data wereacquired with a Siemens Sonata1.5-T magnetic reso-nance scanner with interleaved slice ordering,a volumerepetition time of2.48s,an echo time of40ms,a90°flip angle,31horizontal slices,a64ϫ64slice matrix,and isotropic voxel size of3.5ϫ3.5ϫ3.5mm.For thestructural magnetic resonance image,we used a high-resolution(isotropic voxels of1mm3)T1-weightedmagnetization-prepared rapid gradient-echo pulse se-quence.The fMRI data were preprocessed and analyzedby statistical parametric mappingwith SPM99software(http://www.fi/spm99).25.S.E.Petersen et al.,Nature331,585(1988).26.B.T.Gold,R.L.Buckner,Neuron35,803(2002).27.E.Halgren et al.,J.Psychophysiol.88,1(1994).28.E.Halgren et al.,Neuroimage17,1101(2002).29.M.K.Tanenhaus et al.,Science268,1632(1995).30.J.J.A.van Berkum et al.,J.Cognit.Neurosci.11,657(1999).31.P.A.M.Seuren,Discourse Semantics(Basil Blackwell,Oxford,1985).32.We thank P.Indefrey,P.Fries,P.A.M.Seuren,and M.van Turennout for helpful discussions.Supported bythe Netherlands Organization for Scientific Research,grant no.400-56-384(P.H.).Supporting Online Material/cgi/content/full/1095455/DC1Materials and MethodsFig.S1References and Notes8January2004;accepted9March2004Published online18March2004;10.1126/science.1095455Include this information when citingthis paper.Complete Genome Sequence ofthe Apicomplexan,Cryptosporidium parvumMitchell S.Abrahamsen,1,2*†Thomas J.Templeton,3†Shinichiro Enomoto,1Juan E.Abrahante,1Guan Zhu,4 Cheryl ncto,1Mingqi Deng,1Chang Liu,1‡Giovanni Widmer,5Saul Tzipori,5GregoryA.Buck,6Ping Xu,6 Alan T.Bankier,7Paul H.Dear,7Bernard A.Konfortov,7 Helen F.Spriggs,7Lakshminarayan Iyer,8Vivek Anantharaman,8L.Aravind,8Vivek Kapur2,9The apicomplexan Cryptosporidium parvum is an intestinal parasite that affects healthy humans and animals,and causes an unrelenting infection in immuno-compromised individuals such as AIDS patients.We report the complete ge-nome sequence of C.parvum,type II isolate.Genome analysis identifies ex-tremely streamlined metabolic pathways and a reliance on the host for nu-trients.In contrast to Plasmodium and Toxoplasma,the parasite lacks an api-coplast and its genome,and possesses a degenerate mitochondrion that has lost its genome.Several novel classes of cell-surface and secreted proteins with a potential role in host interactions and pathogenesis were also detected.Elu-cidation of the core metabolism,including enzymes with high similarities to bacterial and plant counterparts,opens new avenues for drug development.Cryptosporidium parvum is a globally impor-tant intracellular pathogen of humans and animals.The duration of infection and patho-genesis of cryptosporidiosis depends on host immune status,ranging from a severe but self-limiting diarrhea in immunocompetent individuals to a life-threatening,prolonged infection in immunocompromised patients.Asubstantial degree of morbidity and mortalityis associated with infections in AIDS pa-tients.Despite intensive efforts over the past20years,there is currently no effective ther-apy for treating or preventing C.parvuminfection in humans.Cryptosporidium belongs to the phylumApicomplexa,whose members share a com-mon apical secretory apparatus mediating lo-comotion and tissue or cellular invasion.Many apicomplexans are of medical or vet-erinary importance,including Plasmodium,Babesia,Toxoplasma,Neosprora,Sarcocys-tis,Cyclospora,and Eimeria.The life cycle ofC.parvum is similar to that of other cyst-forming apicomplexans(e.g.,Eimeria and Tox-oplasma),resulting in the formation of oocysts1Department of Veterinary and Biomedical Science,College of Veterinary Medicine,2Biomedical Genom-ics Center,University of Minnesota,St.Paul,MN55108,USA.3Department of Microbiology and Immu-nology,Weill Medical College and Program in Immu-nology,Weill Graduate School of Medical Sciences ofCornell University,New York,NY10021,USA.4De-partment of Veterinary Pathobiology,College of Vet-erinary Medicine,Texas A&M University,College Sta-tion,TX77843,USA.5Division of Infectious Diseases,Tufts University School of Veterinary Medicine,NorthGrafton,MA01536,USA.6Center for the Study ofBiological Complexity and Department of Microbiol-ogy and Immunology,Virginia Commonwealth Uni-versity,Richmond,VA23198,USA.7MRC Laboratoryof Molecular Biology,Hills Road,Cambridge CB22QH,UK.8National Center for Biotechnology Infor-mation,National Library of Medicine,National Insti-tutes of Health,Bethesda,MD20894,USA.9Depart-ment of Microbiology,University of Minnesota,Min-neapolis,MN55455,USA.*To whom correspondence should be addressed.E-mail:abe@†These authors contributed equally to this work.‡Present address:Bioinformatics Division,Genetic Re-search,GlaxoSmithKline Pharmaceuticals,5MooreDrive,Research Triangle Park,NC27009,USA.R E P O R T S SCIENCE VOL30416APRIL2004441o n O c t o b e r 7 , 2 0 0 9 w w w . s c i e n c e m a g . o r g D o w n l o a d e d f r o mthat are shed in the feces of infected hosts.C.parvum oocysts are highly resistant to environ-mental stresses,including chlorine treatment of community water supplies;hence,the parasite is an important water-and food-borne pathogen (1).The obligate intracellular nature of the par-asite ’s life cycle and the inability to culture the parasite continuously in vitro greatly impair researchers ’ability to obtain purified samples of the different developmental stages.The par-asite cannot be genetically manipulated,and transformation methodologies are currently un-available.To begin to address these limitations,we have obtained the complete C.parvum ge-nome sequence and its predicted protein com-plement.(This whole-genome shotgun project has been deposited at DDBJ/EMBL/GenBank under the project accession AAEE00000000.The version described in this paper is the first version,AAEE01000000.)The random shotgun approach was used to obtain the complete DNA sequence (2)of the Iowa “type II ”isolate of C.parvum .This isolate readily transmits disease among numerous mammals,including humans.The resulting ge-nome sequence has roughly 13ϫgenome cov-erage containing five gaps and 9.1Mb of totalDNA sequence within eight chromosomes.The C.parvum genome is thus quite compact rela-tive to the 23-Mb,14-chromosome genome of Plasmodium falciparum (3);this size difference is predominantly the result of shorter intergenic regions,fewer introns,and a smaller number of genes (Table 1).Comparison of the assembled sequence of chromosome VI to that of the recently published sequence of chromosome VI (4)revealed that our assembly contains an ad-ditional 160kb of sequence and a single gap versus two,with the common sequences dis-playing a 99.993%sequence identity (2).The relative paucity of introns greatly simplified gene predictions and facilitated an-notation (2)of predicted open reading frames (ORFs).These analyses provided an estimate of 3807protein-encoding genes for the C.parvum genome,far fewer than the estimated 5300genes predicted for the Plasmodium genome (3).This difference is primarily due to the absence of an apicoplast and mitochondrial genome,as well as the pres-ence of fewer genes encoding metabolic functions and variant surface proteins,such as the P.falciparum var and rifin molecules (Table 2).An analysis of the encoded pro-tein sequences with the program SEG (5)shows that these protein-encoding genes are not enriched in low-complexity se-quences (34%)to the extent observed in the proteins from Plasmodium (70%).Our sequence analysis indicates that Cryptosporidium ,unlike Plasmodium and Toxoplasma ,lacks both mitochondrion and apicoplast genomes.The overall complete-ness of the genome sequence,together with the fact that similar DNA extraction proce-dures used to isolate total genomic DNA from C.parvum efficiently yielded mito-chondrion and apicoplast genomes from Ei-meria sp.and Toxoplasma (6,7),indicates that the absence of organellar genomes was unlikely to have been the result of method-ological error.These conclusions are con-sistent with the absence of nuclear genes for the DNA replication and translation machinery characteristic of mitochondria and apicoplasts,and with the lack of mito-chondrial or apicoplast targeting signals for tRNA synthetases.A number of putative mitochondrial pro-teins were identified,including components of a mitochondrial protein import apparatus,chaperones,uncoupling proteins,and solute translocators (table S1).However,the ge-nome does not encode any Krebs cycle en-zymes,nor the components constituting the mitochondrial complexes I to IV;this finding indicates that the parasite does not rely on complete oxidation and respiratory chains for synthesizing adenosine triphosphate (ATP).Similar to Plasmodium ,no orthologs for the ␥,␦,or εsubunits or the c subunit of the F 0proton channel were detected (whereas all subunits were found for a V-type ATPase).Cryptosporidium ,like Eimeria (8)and Plas-modium ,possesses a pyridine nucleotide tran-shydrogenase integral membrane protein that may couple reduced nicotinamide adenine dinucleotide (NADH)and reduced nico-tinamide adenine dinucleotide phosphate (NADPH)redox to proton translocation across the inner mitochondrial membrane.Unlike Plasmodium ,the parasite has two copies of the pyridine nucleotide transhydrogenase gene.Also present is a likely mitochondrial membrane –associated,cyanide-resistant alter-native oxidase (AOX )that catalyzes the reduction of molecular oxygen by ubiquinol to produce H 2O,but not superoxide or H 2O 2.Several genes were identified as involved in biogenesis of iron-sulfur [Fe-S]complexes with potential mitochondrial targeting signals (e.g.,nifS,nifU,frataxin,and ferredoxin),supporting the presence of a limited electron flux in the mitochondrial remnant (table S2).Our sequence analysis confirms the absence of a plastid genome (7)and,additionally,the loss of plastid-associated metabolic pathways including the type II fatty acid synthases (FASs)and isoprenoid synthetic enzymes thatTable 1.General features of the C.parvum genome and comparison with other single-celled eukaryotes.Values are derived from respective genome project summaries (3,26–28).ND,not determined.FeatureC.parvum P.falciparum S.pombe S.cerevisiae E.cuniculiSize (Mbp)9.122.912.512.5 2.5(G ϩC)content (%)3019.43638.347No.of genes 38075268492957701997Mean gene length (bp)excluding introns 1795228314261424ND Gene density (bp per gene)23824338252820881256Percent coding75.352.657.570.590Genes with introns (%)553.9435ND Intergenic regions (G ϩC)content %23.913.632.435.145Mean length (bp)5661694952515129RNAsNo.of tRNA genes 454317429944No.of 5S rRNA genes 6330100–2003No.of 5.8S ,18S ,and 28S rRNA units 57200–400100–20022Table parison between predicted C.parvum and P.falciparum proteins.FeatureC.parvum P.falciparum *Common †Total predicted proteins380752681883Mitochondrial targeted/encoded 17(0.45%)246(4.7%)15Apicoplast targeted/encoded 0581(11.0%)0var/rif/stevor ‡0236(4.5%)0Annotated as protease §50(1.3%)31(0.59%)27Annotated as transporter 69(1.8%)34(0.65%)34Assigned EC function ¶167(4.4%)389(7.4%)113Hypothetical proteins925(24.3%)3208(60.9%)126*Values indicated for P.falciparum are as reported (3)with the exception of those for proteins annotated as protease or transporter.†TBLASTN hits (e Ͻ–5)between C.parvum and P.falciparum .‡As reported in (3).§Pre-dicted proteins annotated as “protease or peptidase”for C.parvum (CryptoGenome database,)and P.falciparum (PlasmoDB database,).Predicted proteins annotated as “trans-porter,permease of P-type ATPase”for C.parvum (CryptoGenome)and P.falciparum (PlasmoDB).¶Bidirectional BLAST hit (e Ͻ–15)to orthologs with assigned Enzyme Commission (EC)numbers.Does not include EC assignment numbers for protein kinases or protein phosphatases (due to inconsistent annotation across genomes),or DNA polymerases or RNA polymerases,as a result of issues related to subunit inclusion.(For consistency,46proteins were excluded from the reported P.falciparum values.)R E P O R T S16APRIL 2004VOL 304SCIENCE 442 o n O c t o b e r 7, 2009w w w .s c i e n c e m a g .o r g D o w n l o a d e d f r o mare otherwise localized to the plastid in other apicomplexans.C.parvum fatty acid biosynthe-sis appears to be cytoplasmic,conducted by a large(8252amino acids)modular type I FAS (9)and possibly by another large enzyme that is related to the multidomain bacterial polyketide synthase(10).Comprehensive screening of the C.parvum genome sequence also did not detect orthologs of Plasmodium nuclear-encoded genes that contain apicoplast-targeting and transit sequences(11).C.parvum metabolism is greatly stream-lined relative to that of Plasmodium,and in certain ways it is reminiscent of that of another obligate eukaryotic parasite,the microsporidian Encephalitozoon.The degeneration of the mi-tochondrion and associated metabolic capabili-ties suggests that the parasite largely relies on glycolysis for energy production.The parasite is capable of uptake and catabolism of mono-sugars(e.g.,glucose and fructose)as well as synthesis,storage,and catabolism of polysac-charides such as trehalose and amylopectin. Like many anaerobic organisms,it economizes ATP through the use of pyrophosphate-dependent phosphofructokinases.The conver-sion of pyruvate to acetyl–coenzyme A(CoA) is catalyzed by an atypical pyruvate-NADPH oxidoreductase(Cp PNO)that contains an N-terminal pyruvate–ferredoxin oxidoreductase (PFO)domain fused with a C-terminal NADPH–cytochrome P450reductase domain (CPR).Such a PFO-CPR fusion has previously been observed only in the euglenozoan protist Euglena gracilis(12).Acetyl-CoA can be con-verted to malonyl-CoA,an important precursor for fatty acid and polyketide biosynthesis.Gly-colysis leads to several possible organic end products,including lactate,acetate,and ethanol. The production of acetate from acetyl-CoA may be economically beneficial to the parasite via coupling with ATP production.Ethanol is potentially produced via two in-dependent pathways:(i)from the combination of pyruvate decarboxylase and alcohol dehy-drogenase,or(ii)from acetyl-CoA by means of a bifunctional dehydrogenase(adhE)with ac-etaldehyde and alcohol dehydrogenase activi-ties;adhE first converts acetyl-CoA to acetal-dehyde and then reduces the latter to ethanol. AdhE predominantly occurs in bacteria but has recently been identified in several protozoans, including vertebrate gut parasites such as Enta-moeba and Giardia(13,14).Adjacent to the adhE gene resides a second gene encoding only the AdhE C-terminal Fe-dependent alcohol de-hydrogenase domain.This gene product may form a multisubunit complex with AdhE,or it may function as an alternative alcohol dehydro-genase that is specific to certain growth condi-tions.C.parvum has a glycerol3-phosphate dehydrogenase similar to those of plants,fungi, and the kinetoplastid Trypanosoma,but(unlike trypanosomes)the parasite lacks an ortholog of glycerol kinase and thus this pathway does not yield glycerol production.In addition to themodular fatty acid synthase(Cp FAS1)andpolyketide synthase homolog(Cp PKS1), C.parvum possesses several fatty acyl–CoA syn-thases and a fatty acyl elongase that may partici-pate in fatty acid metabolism.Further,enzymesfor the metabolism of complex lipids(e.g.,glyc-erolipid and inositol phosphate)were identified inthe genome.Fatty acids are apparently not anenergy source,because enzymes of the fatty acidoxidative pathway are absent,with the exceptionof a3-hydroxyacyl-CoA dehydrogenase.C.parvum purine metabolism is greatlysimplified,retaining only an adenosine ki-nase and enzymes catalyzing conversionsof adenosine5Ј-monophosphate(AMP)toinosine,xanthosine,and guanosine5Ј-monophosphates(IMP,XMP,and GMP).Among these enzymes,IMP dehydrogenase(IMPDH)is phylogenetically related toε-proteobacterial IMPDH and is strikinglydifferent from its counterparts in both thehost and other apicomplexans(15).In con-trast to other apicomplexans such as Toxo-plasma gondii and P.falciparum,no geneencoding hypoxanthine-xanthineguaninephosphoribosyltransferase(HXGPRT)is de-tected,in contrast to a previous report on theactivity of this enzyme in C.parvum sporo-zoites(16).The absence of HXGPRT sug-gests that the parasite may rely solely on asingle enzyme system including IMPDH toproduce GMP from AMP.In contrast to otherapicomplexans,the parasite appears to relyon adenosine for purine salvage,a modelsupported by the identification of an adeno-sine transporter.Unlike other apicomplexansand many parasitic protists that can synthe-size pyrimidines de novo,C.parvum relies onpyrimidine salvage and retains the ability forinterconversions among uridine and cytidine5Ј-monophosphates(UMP and CMP),theirdeoxy forms(dUMP and dCMP),and dAMP,as well as their corresponding di-and triphos-phonucleotides.The parasite has also largelyshed the ability to synthesize amino acids denovo,although it retains the ability to convertselect amino acids,and instead appears torely on amino acid uptake from the host bymeans of a set of at least11amino acidtransporters(table S2).Most of the Cryptosporidium core pro-cesses involved in DNA replication,repair,transcription,and translation conform to thebasic eukaryotic blueprint(2).The transcrip-tional apparatus resembles Plasmodium interms of basal transcription machinery.How-ever,a striking numerical difference is seenin the complements of two RNA bindingdomains,Sm and RRM,between P.falcipa-rum(17and71domains,respectively)and C.parvum(9and51domains).This reductionresults in part from the loss of conservedproteins belonging to the spliceosomal ma-chinery,including all genes encoding Smdomain proteins belonging to the U6spliceo-somal particle,which suggests that this par-ticle activity is degenerate or entirely lost.This reduction in spliceosomal machinery isconsistent with the reduced number of pre-dicted introns in Cryptosporidium(5%)rela-tive to Plasmodium(Ͼ50%).In addition,keycomponents of the small RNA–mediatedposttranscriptional gene silencing system aremissing,such as the RNA-dependent RNApolymerase,Argonaute,and Dicer orthologs;hence,RNA interference–related technolo-gies are unlikely to be of much value intargeted disruption of genes in C.parvum.Cryptosporidium invasion of columnarbrush border epithelial cells has been de-scribed as“intracellular,but extracytoplas-mic,”as the parasite resides on the surface ofthe intestinal epithelium but lies underneaththe host cell membrane.This niche may al-low the parasite to evade immune surveil-lance but take advantage of solute transportacross the host microvillus membrane or theextensively convoluted parasitophorous vac-uole.Indeed,Cryptosporidium has numerousgenes(table S2)encoding families of putativesugar transporters(up to9genes)and aminoacid transporters(11genes).This is in starkcontrast to Plasmodium,which has fewersugar transporters and only one putative ami-no acid transporter(GenBank identificationnumber23612372).As a first step toward identification ofmulti–drug-resistant pumps,the genome se-quence was analyzed for all occurrences ofgenes encoding multitransmembrane proteins.Notable are a set of four paralogous proteinsthat belong to the sbmA family(table S2)thatare involved in the transport of peptide antibi-otics in bacteria.A putative ortholog of thePlasmodium chloroquine resistance–linkedgene Pf CRT(17)was also identified,althoughthe parasite does not possess a food vacuole likethe one seen in Plasmodium.Unlike Plasmodium,C.parvum does notpossess extensive subtelomeric clusters of anti-genically variant proteins(exemplified by thelarge families of var and rif/stevor genes)thatare involved in immune evasion.In contrast,more than20genes were identified that encodemucin-like proteins(18,19)having hallmarksof extensive Thr or Ser stretches suggestive ofglycosylation and signal peptide sequences sug-gesting secretion(table S2).One notable exam-ple is an11,700–amino acid protein with anuninterrupted stretch of308Thr residues(cgd3_720).Although large families of secretedproteins analogous to the Plasmodium multi-gene families were not found,several smallermultigene clusters were observed that encodepredicted secreted proteins,with no detectablesimilarity to proteins from other organisms(Fig.1,A and B).Within this group,at leastfour distinct families appear to have emergedthrough gene expansions specific to the Cryp-R E P O R T S SCIENCE VOL30416APRIL2004443o n O c t o b e r 7 , 2 0 0 9 w w w . s c i e n c e m a g . o r g D o w n l o a d e d f r o mtosporidium clade.These families —SKSR,MEDLE,WYLE,FGLN,and GGC —were named after well-conserved sequence motifs (table S2).Reverse transcription polymerase chain reaction (RT-PCR)expression analysis (20)of one cluster,a locus of seven adjacent CpLSP genes (Fig.1B),shows coexpression during the course of in vitro development (Fig.1C).An additional eight genes were identified that encode proteins having a periodic cysteine structure similar to the Cryptosporidium oocyst wall protein;these eight genes are similarly expressed during the onset of oocyst formation and likely participate in the formation of the coccidian rigid oocyst wall in both Cryptospo-ridium and Toxoplasma (21).Whereas the extracellular proteins described above are of apparent apicomplexan or lineage-specific in-vention,Cryptosporidium possesses many genesencodingsecretedproteinshavinglineage-specific multidomain architectures composed of animal-and bacterial-like extracellular adhe-sive domains (fig.S1).Lineage-specific expansions were ob-served for several proteases (table S2),in-cluding an aspartyl protease (six genes),a subtilisin-like protease,a cryptopain-like cys-teine protease (five genes),and a Plas-modium falcilysin-like (insulin degrading enzyme –like)protease (19genes).Nine of the Cryptosporidium falcilysin genes lack the Zn-chelating “HXXEH ”active site motif and are likely to be catalytically inactive copies that may have been reused for specific protein-protein interactions on the cell sur-face.In contrast to the Plasmodium falcilysin,the Cryptosporidium genes possess signal peptide sequences and are likely trafficked to a secretory pathway.The expansion of this family suggests either that the proteins have distinct cleavage specificities or that their diversity may be related to evasion of a host immune response.Completion of the C.parvum genome se-quence has highlighted the lack of conven-tional drug targets currently pursued for the control and treatment of other parasitic protists.On the basis of molecular and bio-chemical studies and drug screening of other apicomplexans,several putative Cryptospo-ridium metabolic pathways or enzymes have been erroneously proposed to be potential drug targets (22),including the apicoplast and its associated metabolic pathways,the shikimate pathway,the mannitol cycle,the electron transport chain,and HXGPRT.Nonetheless,complete genome sequence analysis identifies a number of classic and novel molecular candidates for drug explora-tion,including numerous plant-like and bacterial-like enzymes (tables S3and S4).Although the C.parvum genome lacks HXGPRT,a potent drug target in other api-complexans,it has only the single pathway dependent on IMPDH to convert AMP to GMP.The bacterial-type IMPDH may be a promising target because it differs substan-tially from that of eukaryotic enzymes (15).Because of the lack of de novo biosynthetic capacity for purines,pyrimidines,and amino acids,C.parvum relies solely on scavenge from the host via a series of transporters,which may be exploited for chemotherapy.C.parvum possesses a bacterial-type thymidine kinase,and the role of this enzyme in pyrim-idine metabolism and its drug target candida-cy should be pursued.The presence of an alternative oxidase,likely targeted to the remnant mitochondrion,gives promise to the study of salicylhydroxamic acid (SHAM),as-cofuranone,and their analogs as inhibitors of energy metabolism in the parasite (23).Cryptosporidium possesses at least 15“plant-like ”enzymes that are either absent in or highly divergent from those typically found in mammals (table S3).Within the glycolytic pathway,the plant-like PPi-PFK has been shown to be a potential target in other parasites including T.gondii ,and PEPCL and PGI ap-pear to be plant-type enzymes in C.parvum .Another example is a trehalose-6-phosphate synthase/phosphatase catalyzing trehalose bio-synthesis from glucose-6-phosphate and uridine diphosphate –glucose.Trehalose may serve as a sugar storage source or may function as an antidesiccant,antioxidant,or protein stability agent in oocysts,playing a role similar to that of mannitol in Eimeria oocysts (24).Orthologs of putative Eimeria mannitol synthesis enzymes were not found.However,two oxidoreductases (table S2)were identified in C.parvum ,one of which belongs to the same families as the plant mannose dehydrogenases (25)and the other to the plant cinnamyl alcohol dehydrogenases.In principle,these enzymes could synthesize protective polyol compounds,and the former enzyme could use host-derived mannose to syn-thesize mannitol.References and Notes1.D.G.Korich et al .,Appl.Environ.Microbiol.56,1423(1990).2.See supportingdata on Science Online.3.M.J.Gardner et al .,Nature 419,498(2002).4.A.T.Bankier et al .,Genome Res.13,1787(2003).5.J.C.Wootton,Comput.Chem.18,269(1994).Fig.1.(A )Schematic showing the chromosomal locations of clusters of potentially secreted proteins.Numbers of adjacent genes are indicated in paren-theses.Arrows indicate direc-tion of clusters containinguni-directional genes (encoded on the same strand);squares indi-cate clusters containingg enes encoded on both strands.Non-paralogous genes are indicated by solid gray squares or direc-tional triangles;SKSR (green triangles),FGLN (red trian-gles),and MEDLE (blue trian-gles)indicate three C.parvum –specific families of paralogous genes predominantly located at telomeres.Insl (yellow tri-angles)indicates an insulinase/falcilysin-like paralogous gene family.Cp LSP (white square)indicates the location of a clus-ter of adjacent large secreted proteins (table S2)that are cotranscriptionally regulated.Identified anchored telomeric repeat sequences are indicated by circles.(B )Schematic show-inga select locus containinga cluster of coexpressed large secreted proteins (Cp LSP).Genes and intergenic regions (regions between identified genes)are drawn to scale at the nucleotide level.The length of the intergenic re-gions is indicated above or be-low the locus.(C )Relative ex-pression levels of CpLSP (red lines)and,as a control,C.parvum Hedgehog-type HINT domain gene (blue line)duringin vitro development,as determined by semiquantitative RT-PCR usingg ene-specific primers correspondingto the seven adjacent g enes within the CpLSP locus as shown in (B).Expression levels from three independent time-course experiments are represented as the ratio of the expression of each gene to that of C.parvum 18S rRNA present in each of the infected samples (20).R E P O R T S16APRIL 2004VOL 304SCIENCE 444 o n O c t o b e r 7, 2009w w w .s c i e n c e m a g .o r g D o w n l o a d e d f r o m。
单晶结构解析加氢-绘图问题解答
1.通常,H原子的处理方法作者要给出(1)一般通过理论加H,其温度因子为固定值,可通过INS等文件查看(2) 水分子上H原子可通过Fourier syntheses得到(3)检查理论加上的H原子是否正确,主要看H原子的方向。
若不正确则删去再通过Fourier syntheses合成得到(4) 检查H原子的键长、键角、温度因子等参数是否正常。
通过检查分子间或分子内的H键是否合理最易看出H键的合理性(5) 技巧:有时通过Fourier syntheses得到的H原子是正确的,可一计算其温度因子等参就变得不正常,则可以固定其参数后再精修(如在INS中的该H原子前用afix 1,其后加afix 0)(6)各位来说说方法与心得?2.胡老师,下面的问题怎么解决啊?谢谢您。
220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.70 Ratio222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.97 Ratio342_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang (49)B 级提示当然得重视了。
建议你先把H撤消,精修到C的热椭球不太变形和键长趋正常。
如做不到就要看空间群?衍射点变量比太小?以至追查到原始数据的录取参数和处理等。
这些粗略意见仅供参考,如何?3.在XP中画图时,只有一部分,想长出另外的对称部分。
我是envi完了,然后sgen长出来的,可是和symm显示的对称信息不一样。
比如:我根据envi的结果用sgen O1 4555得到的是O1A而不是O1D,这跟文献中标注的不一样啊,怎么统一呢?很困扰,忘达人指教。
xp里是按顺序编号的,第一个sgen出的的统一为A,依次标号。
你如果想一开始就统一D 的话,重新name一下4.高氯酸根怎么精修呀?我用的SHETXL6.1版的,最好告诉我怎么用其中的XSHELL来做,我觉得他好用!Method 1DFIXDfix 1.42 0.02 Cl1 O1 Cl1 O2 Cl1 O3 Cl1 O4Dfix 1.42 0.02 O1 O2 O1 O3 O1 O4 O2 O3 O2 O4 O3 O4Method 2SADISadi 0.01 Cl1 O1 Cl1 O2 Cl1 O3 Cl1 O4Sadi 0.01 O1 O2 O1 O3 O1 O4 O2 O3 O2 O4 O3 O45. 晶体的无序是怎么造成的呀,是晶体培养的问题吗?如果无序太多,在解单晶的时候怎么办?我指的是很多的点,没有结构,他们的峰值都大于了0.5大于0.5没什么的,解完后都在1以下就可以了。
美沙拉嗪与β-环糊精的主客体相互作用及其分析应用
第34卷第6期化㊀学㊀研㊀究Vol.34㊀No.62023年11月CHEMICAL㊀RESEARCHNov.2023美沙拉嗪与β⁃环糊精的主客体相互作用及其分析应用张晨轩,李晓鹏,戚鹏飞,魏㊀莉∗(河北省药品职业化检查员总队(南片区),河北石家庄050000)收稿日期:2022⁃07⁃09基金项目:山西省重点研发计划项目(201903D321009)作者简介:张晨轩(1988-),男,工程师,研究方向:药物分析㊂∗通信作者,E⁃mail:earth⁃shaker@qq.com摘㊀要:采用紫外分光光度法㊁荧光分光光度法以及核磁共振光谱法研究了美沙拉嗪(MSZ)与β⁃环糊精(β⁃CD)的主客体相互作用,同时测试了主客体包合物的热力学参数(ΔG㊁ΔH㊁ΔS)㊂光谱数据表明MSZ⁃β⁃CD包合物的形成,包合比为1ʒ1,包合常数K=1.362ˑ102L㊃mol-1㊂基于MSZ⁃β⁃CD包合物荧光强度的显著增大,建立了一个简单㊁准确㊁快速㊁高灵敏度测定水溶液中MSZ的荧光分析新方法㊂MSZ的浓度与MSZ⁃β⁃CD包合物的荧光强度变化值ΔF具有良好的线性关系,相关系数为0.998,线性范围为0.1 0.7mg㊃L-1,检测限为8μg㊃L-1,该方法可应用于药品中美沙拉嗪的含量测定㊂关键词:美沙拉嗪;β⁃环糊精;超分子化学;荧光分光光度法;药物分析中图分类号:R917文献标志码:A文章编号:1008-1011(2023)06-0505-06Host⁃guestinteractionofmesalazinewithβ⁃cyclodextrinanditsanalyticalapplicationZHANGChenxuan LIXiaopeng QIPengfei WEILi∗HebeiProvincePharmaceuticalProfessionalInspectorCorps SouthDivision Shijiazhuang050000 Hebei ChinaAbstract Thehost⁃guestinteractionofmesalazine(MSZ)withβ⁃cyclodextrin(β⁃CD)hasbeeninvestigatedusingabsorption,spectrofluorimetryand1HNMR.Thethermodynamicparameters(ΔG,ΔHandΔS)ofMSZ⁃β⁃CDwerealsostudied.Theinclusioncomplexformationhasbeenconfirmedbasedonthechangesofthespectralproperties,thelineardoublereciprocalplotindicatinga1ʒ1binding,andthebindingconstant(K)wasdeterminedas1.362ˑ102L㊃mol-1;Basedonthesignificantenhancementofthesupramolecularcomplexfluorescenceintensity,Asimple,accurate,rapidandhighlysensitivespectrofluorimetricmethodwasdevelopedtodeterminethecontentofMSZinaqueoussolution.Agoodlinearcorrelationwasobtainedbetweenthefluorescenceenhancement(ΔF)andtheMSZconcentrationsfrom0.1mg㊃L-1to0.7mg㊃L-1,acorrelationcoefficientof0.998andadetectionlimitof8μg㊃L-1werealsodetermined.TheproposedmethodwassuccessfullyappliedtodetermineMSZinitspharmaceuticaldosageforms.Keywords:mesalazine;β⁃cyclodextrin;supramolecularchemistry;spectrofluorimetry;pharmaceuticalanalysis㊀㊀环糊精(CD)是淀粉酶解作用下生成的一系列环状低聚糖㊂β⁃环糊精(β⁃CD,图1)由7个葡萄糖单元组成,具有疏水的内部空腔结构,外部具有良好的亲水性㊂在超分子化学领域,环糊精作为分子主体被广泛关注[1]㊂主客体包合物的形成会显著影响客体分子的物理化学性质,比如溶解性㊁光谱学和电化学性质㊂这一特性被广泛应用于分析化学和制药工业等诸多领域,旨在改善难溶性㊁易降解小分子药物的溶解性㊁稳定性和生物有效性[2]㊂此外,包合物的形成可以增强客体分子的荧光强度,促进毛细管电泳中的手性分离[3]㊂许多基于环糊精包合物的荧光特性建立的分析方法已应用于测定多种药物制剂㊁农药和金属离子[4]㊂506㊀化㊀学㊀研㊀究2023年美沙拉嗪(MSZ,图1)是一种治疗轻中度溃疡性结肠炎的药物㊂MSZ能够有效清除引起肠道炎症的活性氧自由基,抑制血小板环氧合酶和脂氧合酶途径,对中性粒细胞的某些功能也有抑制作用[5]㊂许多测定药物制剂或生物体液中MSZ含量的分析方法已见报道,如毛细管胶束电动色谱法[6]㊁微分脉冲伏安法[7]㊁高效液相色谱法[8]㊁液质联用技术[9]㊁分光光度法[10]㊂然而,荧光分光光度法测定药物制剂中美沙拉嗪含量的文献未见报道㊂鉴于荧光分光光度法具有操作简捷㊁灵敏度高以及较低费用等优势,目前该方法已经成为了最便捷的分析方法之一㊂图1㊀β⁃环糊精和美沙拉嗪的结构Fig.1㊀Structuresofβ⁃CDandMSZ本文采用紫外分光光度法㊁荧光分光光度法以及核磁共振光谱法验证了美沙拉嗪和β⁃环糊精之间的主客体包合作用,研究了一系列影响主客体包合物形成的因素㊂β⁃环糊精本身无荧光,美沙拉嗪在水溶液中也不产生荧光发射信号,因此不能采用常规的荧光方法进行美沙拉嗪的定量分析,当美沙拉嗪和β⁃环糊精在水溶液中形成包合物时,溶液的荧光强度会显著增大㊂基于主客体包合物荧光强度与美沙拉嗪之间的线性关系,建立了一种新型测定药物制剂中美沙拉嗪含量的荧光分析方法㊂1㊀实验部分1.1㊀仪器与试剂㊀㊀Cary300型紫外分光光度计(美国瓦里安公司),CaryEclipse型荧光分光光度计(澳大利亚安捷伦公司),DRX⁃600MHz型核磁共振仪(瑞士布鲁克公司),pHS⁃3TC型pH计(上海雷磁公司),HH⁃6数显恒温水浴锅(常州国华公司)㊂所用化学试剂均为分析纯或色谱纯,实验用水为纯化水㊂美沙拉嗪和β⁃环糊精对照品购买自中国食品药品检定研究院㊂美沙拉嗪肠溶片购买自葵花药业集团股份有限公司,规格0.25g㊂1.2㊀对照品溶液和供试品储备液1.2.1㊀美沙拉嗪对照品溶液㊀㊀准确称量美沙拉嗪对照品0.01g至100mL容量瓶,加水30mL使溶解,摇匀,用水定容至刻度,振荡均匀,得到100mg㊃L-1的储备液㊂10mg㊃L-1的工作液由储备液加水稀释得到㊂1.2.2㊀β⁃环糊精对照品溶液准确称取β⁃环糊精对照品1.135g置于100mL容量瓶内,加水适量,振摇使溶解,再用水定容至刻度得到0.01mol㊃L-1的溶液㊂溶液临用现配㊂1.2.3㊀美沙拉嗪供试品储备液取10粒MSZ肠溶片,除去肠溶衣后,精密称定,研细,精密称取约相当于250mg的MSZ药品粉末,溶解在100mL容量瓶中,充分振荡㊂将此溶液过滤,弃去部分前滤液,移取10mL后续滤液并稀释为100mL的储备液㊂1.3㊀紫外分光光度法取2mL的MSZ工作溶液(10mg㊃L-1)两份,分别加入到10mL的容量瓶中,再分别加入1.5mL磷酸盐缓冲溶液(pH=7.0)来保持溶液pH呈中性,向其中一个容量瓶中加入β⁃CD对照品溶液(0.01mol㊃L-1)2mL,另一个不加β⁃CD对照品溶液㊂定容后在室温下放置10min测定吸收光谱㊂1.4㊀荧光分光光度法将2mL的β⁃CD溶液(0.01mol㊃L-1)分别加入到100mL容量瓶中,再分别加入不同体积的MSZ溶液和1.5mL的磷酸盐缓冲溶液(pH=7.0),制成MSZ最终浓度分别为0.1 0.7mg㊃L-1的混合溶液,在室温下放置10min后测定溶液的荧光强度㊂1.5㊀反应的化学计量学向100mL容量瓶中加入浓度为10mg㊃L-1的MSZ溶液和1.5mL磷酸盐缓冲溶液(pH=7.0),再将不同体积(0.0,1.0,2.0,3.0,4.0,5.0,6.0,7.0mL)0.01mol㊃L-1的β⁃CD溶液分别加入到容量瓶中,定容后在室温下放置10min㊂2㊀结果与讨论2.1㊀紫外吸收光谱㊀㊀MSZ溶液的紫外吸收光谱和MSZ与β⁃CD混合溶液的紫外吸收光谱如图2所示,结果表明在pH=7.0条件下,MSZ溶液的最大吸收波长为330nm,当加入β⁃CD后,混合溶液最大吸收波长没有变化,但第6期张晨轩等:美沙拉嗪与β⁃环糊精的主客体相互作用及其分析应用507㊀是吸光度增强㊂图2㊀MSZ紫外吸收光谱(黑色)和MSZ⁃β⁃CD包合物紫外吸收光谱(红色)Fig.2㊀AbsorptionspectraofMSZintheabsence(black)andpresence(red)ofMSZ⁃β⁃CD2.2㊀荧光光谱在pH=7.0条件下,MSZ溶液的最大发射波长为493nm,当MSZ溶液与β⁃CD溶液混合后,混合溶液的最大发射波长没有变化,但是荧光强度增强,如图3所示㊂这是由于MSZ分子进入了β⁃CD的疏水性空腔,通过范德华力和氢键等非共价键相互作用包合在一起,包合作用使MSZ分子的运动自由度降低,激发态分子以非辐射方式释放能量减少,因此MSZ⁃β⁃CD包合物的形成增强了溶液的荧光强度㊂图3㊀β⁃CD溶液中加入不同体积MSZ溶液后的荧光光谱Fig.3㊀VariationofthefluorescencespectraofMSZ⁃β⁃CDcomplexonadditionofdifferentconcentrationsofMSZ2.3㊀反应条件的优化2.3.1㊀pH的影响㊀㊀采用荧光分光光度法研究了不同pH对包合反应的影响,并测定包合物的荧光强度㊂结果表明,随着pH的增大,包合物荧光强度会增强㊂当pH为7时包合物的荧光强度最大㊂当pH大于7时,包合物的荧光强度会逐渐减弱㊂此外,通过非线性曲线拟合法计算出MSZ⁃β⁃CD包合物的包合常数(K)㊂2.3.2㊀温度和时间的影响分别在室温和30 90ħ水浴条件下,研究了MSZ⁃β⁃CD包合物受温度的影响㊂结果表明,在室温条件下包合物的荧光强度最强,故该反应在室温下进行㊂同时研究了室温下反应时间对包合物的影响,结果表明,在室温下的放置时间对包合物的荧光强度基本无影响㊂因此,本实验选择在室温放置10min的条件下进行㊂2.4㊀反应的化学计量学在最优实验条件下研究了主客体包合反应的化学计量学㊂假设主客体发生1ʒ1的包合反应,则化学计量学可以用Benesi⁃Hildebrand非线性曲线表示[11]:1/(F-F0)=1/(F¥-F0)K[β⁃CD]0+1/(F¥-F0)(1)㊀㊀[β⁃CD]0代表β⁃CD的浓度,F代表特定浓度下的主体分子同客体分子形成包合物时的荧光强度,F0表示客体分子单独存在时的荧光强度,Fɕ指主体分子与客体分子充分包合时的荧光强度,K就是主客体发生1ʒ1包合作用时的包合常数㊂通过做1/(F-F0)对1/[β⁃CD]0的双倒数曲线,如图4所示,可以验证包合比为1ʒ1的相互作用的存在㊂只有相互作用的包合比为1ʒ1时,双倒数曲线才具有线性,并且计算得到包合常数K=1.362ˑ102L㊃mol-1㊂图4㊀MSZ⁃β⁃CD包合物的双倒数曲线Fig.4㊀Plotof1/(F⁃F0)vs.1/[β⁃CD]oftheMSZ⁃β⁃CDcomplex2.5㊀包合物的热力学参数从热力学角度(ΔH㊁ΔS㊁ΔG)证明了包合物的形成,包合常数(K)与温度(T)的关系可以通过508㊀化㊀学㊀研㊀究2023年Van tHoff方程(lnK=-ΔH/RT+ΔS/R)描述,包合反应的焓变(ΔH)和熵变(ΔS)与MSZ⁃β⁃CD包合物的形成有关㊂将lnK与1/T进行线性回归,ΔH和ΔS可以分别通过回归方程的斜率和截距得到[12]㊂而吉布斯自由能变(ΔG)可以由公式ΔG=ΔH-TΔS求出,结果如表1所示㊂表1中,负的焓变和自由能变值表明这是一个放热且自发的过程,同时伴随着少量的熵损失,热力学参数表明了MSZ和β⁃CD的包合作用主要是受焓变驱使,这要归因于β⁃CD分子的羟基与MSZ分子间的氢键作用,主客体分子之间的范德华力以及β⁃CD分子空腔的疏水作用[13]㊂此外,构象变化和去溶剂化效应也促进了熵变㊂包合作用使得分子运动自由度降低,也导致了熵的损失[14]㊂表1㊀包合反应的热力学参数Table1㊀Thermodynamicparameterofthereaction热力学参数数值/(J㊃mol-1)ΔH-546.1ΔS-1.7ΔG-125.22.6㊀1HNMR谱图采用核磁共振验证了MSZ和β⁃CD的包合作用㊂图5分别为MSZ和MSZ⁃β⁃CD包合物的1HNMR谱图,与MSZ单独存在时的1HNMR谱图相比,包合物1HNMR谱图中MSZ的H3,H4,H6质子信号向高场移动,这一特征表明MSZ分子包合进入了β⁃CD的空腔[15]㊂图5㊀MSZ(黑色)和MSZ⁃β⁃CD(红色)包合物的1HNMR谱图Fig.5㊀1HNMRspectra(600MHz)ofMSZ(black)andMSZ⁃β⁃CDcomplex(red)inD2O2.7㊀方法学验证2.7.1㊀线性和灵敏度㊀㊀在最适实验条件下,对MSZ的浓度与MSZ⁃β⁃CD包合物荧光强度变化量ΔF的关系曲线进行线性回归,线性方程为:ΔF=719.5C+12.82,相关系数为0.998,线性范围为0.1 0.7mg㊃L-1㊂取空白溶液连续测定11次并计算荧光强度的标准偏差(SD),以3倍SD除以线性方程的斜率计算检出限为8μg㊃L-1㊂2.7.2㊀重复性精密称取同一批样品粉末适量,按 1.2.3 项下供试品储备液制备方法,平行制备6份,再分别按1.4 项下方法制备供试品溶液㊂在最适实验条件下进行测定,记录各供试品溶液的荧光强度,以荧光强度的RSD评价重复性㊂结果显示荧光强度的RSD为1.02%(n=6),表明该方法重复性良好㊂2.7.3㊀中间精密度由另一名分析人员,于不同日期使用不同的仪器,同 重复性 试验操作㊂结果显示各供试品溶液荧光强度的RSD为1.15%(n=6),表明该方法中间精密度良好㊂2.7.4㊀溶液稳定性试验取 1.2.3 项下供试品储备液适量,按 1.4 项下方法制备供试品溶液,分别于室温下放置0㊁6㊁12㊁24㊁48h,在最适实验条件下进行测定,并记录供试品溶液的荧光强度㊂结果,供试品溶液的荧光强第6期张晨轩等:美沙拉嗪与β⁃环糊精的主客体相互作用及其分析应用509㊀度的RSD为0.73%,表明供试品溶液在48h内稳定,能够满足测定需要㊂2.7.5㊀分析应用该方法可应用于药品中MSZ的含量测定㊂按1.2.3 项下供试品储备液制备方法,再按 1.4 项下方法制备供试品溶液,在最适实验条件下,测定MSZ的含量,结果满意,如表2所示,并且相对标准偏差小于2.00%,具有良好的准确性㊂表2㊀药品中MSZ的含量测定(n=5)Table2㊀DeterminationofMSZinpharmaceuticalformulation(n=5)药品规格/(mg/tablet)本法测定值/(mg/tablet)回收率/%MSZ250242.6097.0ʃ0.863㊀结论采用紫外分光光度法㊁荧光分光光度法以及核磁共振光谱法研究了MSZ和β⁃CD之间的超分子相互作用,结果表明MSZ和β⁃CD可以形成1ʒ1的主客体包合物,包合常数K=1.362ˑ102L㊃mol-1㊂基于MSZ⁃β⁃CD包合物的荧光增敏作用,建立了一种简便㊁灵敏㊁准确的测定MSZ含量的荧光分析方法,该方法具有良好的精密度㊁重复性和适用性,可应用于药品中MSZ的定量分析㊂参考文献:[1]王恩举,陈光英,彭明生.NMR研究β⁃环糊精对布洛芬的手性识别[J].波谱学杂志,2009,26(2):216⁃222.WANGEJ,CHENGY,PENGMS.NMRstudiesofchiraldiscriminationofibuprofenenantiomersinβ⁃cyclodextrininclusioncomplexes[J].ChineseJournalofMagneticResonance,2009,26(2):216⁃222.[2]LINARESM,DEBERTORELLOMM,LONGHIM.Preparationandcharacterizationofsolidcomplexesofnaphtoquinoneandhydroxypropyl⁃b⁃cyclodextrin[J].Molecules,2000,5(3):342⁃344.[3]ELBASHIRAA,SULIMANFEO,SAADB,etal.Capillaryelectrophoreticseparationandcomputationalmodelingofinclusioncomplexesofβ⁃cyclodextrinand18⁃crown⁃6etherwithprimaquineandquinocide[J].BiomedicalChromatography,2010,24(4):393⁃398.[4]ELBASHIRAA,DSUGINFA,MOHMEDTOM,etal.Spectrofluorometricanalyticalapplicationsofcyclodextrins[J].Luminescence,2014,29(1):1⁃7.[5]马郑,董煜,彭涛.离子对RP⁃HPLC法测定美沙拉嗪栓的含量及有关物质[J].中国药房,2014,25(44):4209⁃4214.MAZ,DONGY,PENGT.Contentdeterminationof5⁃aminosalicylicsuppositoryanditsrelatedsubstancesbyion⁃pairRP⁃HPLC[J].ChinaPharmacy,2014,25(44):4209⁃4214.[6]GOTTIR,POMPONIOR,BERTUCCIC,etal.Determinationof5⁃aminosalicylicacidrelatedimpuritiesbymicellarelectrokineticchromatographywithanion⁃pairreagent[J].JournalofChromatographyA,2001,916(1/2):175⁃183.[7]NIGOVIC'B,ŠIMUNIC'B.Determinationof5⁃aminosalicylicacidinpharmaceuticalformulationbydifferentialpulsevoltammetry[J].JournalofPharmaceuticalandBiomedicalAnalysis,2003,31(1):169⁃174.[8]RAFAELJA,JABORJR,CASAGRANDER,etal.ValidationofHPLC,DPPHandnitrosationmethodsformesalaminedeterminationinpharmaceuticaldosageforms[J].BrazilianJournalofPharmaceuticalSciences,2007,43(1):97⁃103.[9]PASTORINIE,LOCATELLIM,SIMONIP,etal.DevelopmentandvalidationofaHPLC⁃ESI⁃MS/MSmethodforthedeterminationof5⁃aminosalicylicacidanditsmajormetaboliteN⁃acetyl⁃5⁃aminosalicylicacidinhumanplasma[J].JournalofChromatographyB,2008,872(1/2):99⁃106.[10]MADHAVIV,PANCHAKSHARIV,PRATHYUSHATN,etal.Spectrophotometricdeterminationofmesalazineinbulkandtabletdosageformsbasedondiazocouplingreactionwithresorcinol[J].InternationalJournalofPharmaceuticalSciencesReviewandResearch,2011,11(1):105⁃109.[11]NIGAMS,DUROCHERG.Spectralandphotophysicalstudiesofinclusioncomplexesofsomeneutral3H⁃indolesandtheircationsandanionswithβ⁃cyclodextrin[J].TheJournalofPhysicalChemistry,1996,100(17):7135⁃7142.[12]LIWY,LIH,ZHANGGM,etal.Interactionofwater⁃solublecalix[4]arenewithL⁃tryptophanstudiedbyfluorescencespectroscopy[J].JournalofPhotochemistryandPhotobiologyA:Chemistry,2008,197(2/3):389⁃393.[13]ZHANGQF,JIANGZT,GUOYX,etal.Complexationstudyofbrilliantcresylbluewithβ⁃cyclodextrinandits510㊀化㊀学㊀研㊀究2023年derivativesbyUV⁃visandfluorospectrometry[J].SpectrochimicaActaPartA:MolecularandBiomolecularSpectroscopy,2008,69(1):65⁃70.[14]LIUY,HANBH,CHENYT.Molecularrecognitionandcomplexationthermodynamicsofdyeguestmoleculesbymodifiedcyclodextrinsandcalixarenesulfonates[J].TheJournalofPhysicalChemistryB,2002,106(18):4678⁃4687.[15]MOCKWL,SHIHNY.Structureandselectivityinhost⁃guestcomplexesofcucurbituril[J].TheJournalofOrganicChemistry,1986,51(23):4440⁃4446.[责任编辑:吴文鹏]。
利用重离子碰撞约束对称能以及核子有效质量劈裂第一期
70中国原子能科学研究院年报2013利用重离子碰撞约束对称能以及核子有效质量劈裂张英逊1,曾敏儿2,李祝霞1,刘航3(1.核物理研究所;2.美国国家超导回旋加速器实验室;3.德克萨斯大学奥斯汀分校)对称能密度依赖形式的确定是目前核物理研究中一个重要问题,通过重离子碰撞的实验与相应的输运理论模型计算相比较可以确定对称能的密度依赖形式。
目前在实验室条件下确定对称能密度依赖形式的唯一手段就是通过重离子碰撞进行。
而更进一步的对称能约束研究要求进一步的发展原有的输运模型。
基于上述背景进一步地发展了改进的量子分子动力学模型,在量子分子动力学模型中采用了真实的Skyrme相互作用(无自旋轨道项),使得通过结构和反应两个方面来研究核力成为可能。
在输运模型的计算中,选取了4套不同的Skyrme相互作用,SLy4、SkM*、SkI2、Gs,来研究同位旋扩散以及出射核子的双中子质子之比。
研究表明,同位旋扩散敏感于对称势的斜率,其对于有效质量的劈裂则不敏感。
而横向出射的核子的中子、质子之比则更敏感于核子的有效质量劈裂。
通过与实验的比较,新的实验数据更倾向于L≈46MeV,而核子的有效质量劈裂在高动量区有可能翻转。
系统的研究表明,研究核子有效质量劈裂的合适能区在100~200MeV每核子。
铜离子碰撞引起的铅K、L壳层X射线产生截面测量常宏伟1,杨治虎2,张艳萍1,杜树斌1(1.核物理研究所;2.中国科学院近代物理研究所)本文利用散射离子和X射线的符合技术测量能量为40~120MeV的多电荷态Cu8+、Cu8+离子与Pb靶碰撞中产生的靶原子的K、L层X射线的产额,研究了K、L层各条X射线产额随入射离子能量的关系,并与ECPSSR理论预测值进行比较。
结果表明,实验数据与理论模型给出的总体趋势相同,但随着能量的增加,绝对差异逐渐增大。
实验与理论的差异,可能是使用的原子参数多引起的,也可能是ECPSSR理论中相对论波函数使用不恰当引起的,根据实验数据,对理论模型改进提供了数据支持,建议理论工作者综合国内外实验结果,对国际上给出的原子参数应该进行必要的修正并对微观和唯象理论进行改进。
Materials-Studio 论坛问答全集
【转帖】Materials-Studio 论坛问答全集(精选众多论坛讨论贴)★★wuli8(金币+2):感谢分享2010-03-05 15:24Materials-Studio 论坛问答全集(精选众多论坛讨论贴)转载其它论坛的贴子,希望对于新手有所帮助!不会找我要版权吧,怕怕!字体: 小中大| 打印发表于: 2008-1-05 15:03 作者: matsim 来源: 材料计算模拟社区1、问:用MS构造晶体时要先确立空间群,可是那些空间群的代码是啥意思啊,看不懂,我想做的是聚乙烯醇的晶体,嘿嘿,也不知道去哪可以查到它的空间群答:A、要做晶体,首先要查询晶体数据,然后利用晶体数据再建立模型。
晶体数据来源主要是文献,或者一些数据库,比如CCDC。
你都不知道这个晶体是怎么样的,怎么指定空间群呢?要反过来做事情哦:)B、我不知道你指示的代码是数字代码还是字母代码,数字代码它对应了字母的代码,而字母的代码它含盖了一些群论的知识(晶系,对称操作等),如果要具体了解你的物质或者材料属于那一个群,你可以查阅一下相关的手册,当然你要了解一些基本的群论知识.MS自带了一些材料的晶体结构,你可以查询一下.2、问:各位高手,我用ms中的castep进行运算。
无论cpu是几个核心,它只有一个核心在工作。
这个怎么解决呢?答:请先确认以下几个问题:1,在什么系统下装,是否装了并行版本。
2,计算时设置参数的地方是否选择了并行。
3,程序运算时,并不是时时刻刻都要用到多个CPU3、问:我已经成功地安装了MS3.1的Linux版本,串行的DMol3可以成功运行。
但是运行并行的时候出错。
机器是双Xeon5320(四核)服务器,rsh和rlogin均开启,RHEL4.6系统。
其中hosts.equiv的内容如下:localhostibm-consolemachines.LINUX的内容如下:localhost:8现在运行RunDMol3.sh时,脚本停在$MS_INSTALL_ROOT/MPICH/bin/mpirun $nolocal -np $nproc $MS_INSTALL_ROOT/DMol3/bin/dmol3_mpi.exe $rootname$DMOL3_DATA这一处,没法执行这一命令并行运算时,出现以下PIxxxx(x为数字)输出ibm-console 0 /home/www/MSI/MS3.1/DMol3/bin/dmol3_mpi.exelocalhost 3 /home/www/MSI/MS3.1/DMol3/bin/dmol3_mpi.exe请问这是什么原因?谢谢!答:主要是rsh中到ibm-console的没有设置把/etc/hosts改为127.0.0.1 localhost.localdomain localhost ibm-console在后面加个ibm-console也希望对大家有帮助!4、问:在最后结果的dos图中,会显示不同电子spd的贡献,我想问的是,假设MS考虑的原子Mg的电子组态为2p6 3s2,那么最后的dos结果中的s,p是不是就是2p,跟3s的贡献.比如更高能量的3p是否可能出现在dos中?如果可能的话,在这种情况下,如何区分2p和3p的贡献,谢谢.答:A、取决于你的餍势势里面没有3p电子,DOS怎么会有呢?自然,你的1p1s也不会出现在你的DOS中。
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a rXiv:h ep-ph/11216v212Dec21Chiral meson masses at the critical point from QCD in the improved ladder approximation O.Kiriyama ∗Research Center for Nuclear Physics,Osaka University,Ibaraki 567–0047,Japan Chiral meson masses at the critical point is investigated using QCD in the improved ladder approximation.We calculate the effective potential at finite temperature T and quark chemical potential µand find the critical point at T ≃95MeV,µ≃290MeV.The chiral meson masses are determined from a second derivative of the effective potential at its minimum.We find that the sigma goes to massless at the critical point while pion remains massive.Our results are consistent with that of the linear sigma model in contrast to the Nambu–Jona-Lasinio model.PACS:11.10.Wx,,11.30.Rd,12.38.Lg Recently there has been great interest in studying the phase structure of quantum chromodynamics (QCD).We expect that at sufficiently high temperature and/or density the QCD vacuum undergoes a phase transition into a chirally symmetric/deconfinement phase [1],a color superconducting phase [2].They may be realized in high-energy heavy-ion collisions at the BNL Relativistic Heavy Ion Collider (RHIC)and CERN Large Hadron Collider (LHC).These phase transitions are also important in the physics of neutron (or quark)stars and the early universe.In massless two–flavor QCD,as confirmed by using the lattice simulation [3]and several effective theories [4–10],the chiral phase transition at high temperature is probably second order.On the other hand,at high density a first order one is expected [4–10].These observations indicate the existence of a tricritical point in the µ-T phase diagram for zero current quark masses and a critical point,where the first order transition ends,for nonzero current quark masses.The existence and the location of the critical point has been studied also by using the recently proposed lattice QCD method [11].It is expected that the sigma field becomes massless at the critical point while the pion field remains massive and the critical point is in the same universality class as the three dimensional Ising model [12].Recently,it has been proposed that this point may lead to characteristic signatures which enable us to explore the phase structure of QCD in heavy-ion collisions [13].The behavior of the chiral meson masses around the critical point is studied within the framework of the linear sigma model and Nambu–Jona-Lasinio (NJL)model [5].In the linear sigma model,the sigma mass goes to zero at the critical point.However,in the NJL model with the random phase approximation the sigma remains massive at the critical point.The chiral meson masses at finite temperature and density has been studied in another QCD motivatedmodel [14],however,their behavior around the critical point has not been known yet.In this paper we investigate where the critical point locates and how the chiral meson masses behave around the critical point using the so-called QCD in the improved ladder approximation [7–10].In the following we fix the scale parameter of our model by the condition ΛQCD =1except for numerical calculations.Its value is determined by the condition f π=93MeV at T =µ=0.At zero temperature and zero chemical potential,the Cornwall-Jackiw-Tomboulis effective potential[15]for QCD in the improved ladder approximation is expressed as a functional of Σ(p E )and Σ5(p E )[9],the scalar and the pseudo-scalar part of the dynamical mass function of the quark respectivelyV =−2 d 4p Ep 2E −2∆(p E ) d dp 2E Σ5(p E )2 ,(1)where the function∆(p E )=d p 2E (2)is introduced,p E denotes the Euclidean momentum,¯g 2(p E )is the QCD running coupling of one-loop order,C 2is the quadratic Casimir operator for color SU (N c )group,and an overall factor (the number of light flavors times thenumberof colors)is omitted.Note that in the derivation of Eq.(1),the Higashijima–Miransky approximation [16,17]has been used and an infrared finite running coupling and quark mass functions like Eqs.(3),(4)and (5)are assumed.In this paper,we use the following effective running coupling [16]¯g 2(p E )=2π2ap 2E +p 2R [ln(p 2E +p 2R )]a/2−1,(4)Σ5(p E )=σ52πf (p 4)→T∞ n =−∞f (ωn +iµ),(6)where ωn =(2n +1)πT (n =0,±1,±2,···)is the fermion Matsubara frequency and µrepresents the quark chemical potential.In addition,we need to define the running coupling and the trial mass functions at finite temperature and density.For simplicity,we adopt the following functional form for D T,µ(p ),ΣT,µ(p ),and Σ5;T,µ(p )by replacing p 4in D (p E ),Σ(p E ),and Σ5(p E )with ωn :D T,µ(p )=2π2aω2n +| p |2,(7)ΣT,µ(p )=m R ln(ω2n +| p |2+p 2R ) −a/2+σω2n +| p |2+p 2Rln(ω2n +| p |2+p 2R ) a/2−1.(9)A few comments are in order.In Eq.(7)we do not introduce the µdependence in D T,µ(p ).The gluon momentum squared is the most natural argument of the running coupling at zero temperature and density,in the light of the chiral Ward-Takahashi identity [20,21].Then it is reasonable to assume that D T,µ(p )does not depend on the quark chemical potential.In addition,the screening mass is not included in Eq.(7).As concerns the mass functions,we use the same function as Eqs.(4)and (5)except that we replace p 4with ωn .The quark wave function does not suffer the renormalization in the Landau gauge for T =µ=0,while,the same does not hold for finite temperature and/or density.Furthermore,we neglect the T and/or µdependent terms in the quark and gluon propagators that arise from the perturbative expansion.Substituting Eqs.(7),(8)and (9)into (1)and considering the differentiation with respect to p 2E to be that with respect to | p |2,we can write down the effective potential V (σ,σ5;m R )(see the Appendix of Ref.[9]).In numerical calculations,since it was known that the temperature and chemical potential dependence of the quantities such as ¯q q and f πare stable under the change of the infrared regularization parameter[7].Therefore,in thefirst place,wefix ln(p2R/Λ2QCD)=0.1and determine the value ofΛQCD by the condition fπ=93MeV at T=µ=0and in the chiral limit;i.e.,m R=0.In this case,the pion decay constant is approximately given by Pagels–Stoker formula[22]:f2π=4N c d4p E(Σ2(p E)+p2E)2 Σ(p E)−p2E dp2E ,(10)and we obtainΛQCD=738MeV.Secondly,we assume the light quarks(u and d)are degenerate in mass and take the current quark mass evaluated at the renormalization pointκ=1GeV as m u(1GeV)= ing the one-loop evolution formula,the RGI current quark mass m R extracted from the above-mentioned value becomes m R=7.6×10−3ΛQCD.A discussion of the effective potential and the chiral symmetry restoration at high temperature and/or density can be found in Ref.[9].Figure1shows the phase diagram in the chiral limit in n B-T plane.The baryon number density n B is defined as n B=n q/3=−(1/3)∂V/∂µwith V renormalized so that it has the correct free theory behavior atσ=σ5=0.At T=0,for example,there is a mixed phase that consists of massive quarkswith n(−)B =1.5n0and massless quarks with n(+)B=4.3n0where n0=0.17fm−3is normal nuclearmatter density.The phase diagram for m u(1GeV)=7MeV case is shown in Fig.2.The critical point E where thefirst order phase transition ends is found atµE≃290MeV,T E≃95MeV;µET cross≃0.70,(11)whereµcrit is the critical chemical potential at T=0,and T cross is the temperature where Mσis minimized and Mπstarts to increase atµ=0.We have confirmed that by thefinite current quark mass the critical point is moved from the tricritical point,which we have found in the previous paper [9],toward larger value ofµand smaller value of T.The values of the chiral meson masses are defined by multiplying the second derivative by the appro-priate factor f:M2σ=f ∂2V∂σ25 min.(12)Here,“min”at the end of the equations means that they are evaluated at the minimum of V(σ,σ5;m R). In this paper,we do not examine the factor f;rather,wefix Mπ(T=µ=0)to140MeV,then, Mσ(T=µ=0)turns out to be668MeV.Theµdependence of Mσand Mπat T=T E is shown in Fig. 3.Wefind that sigma almost goes to massless at the critical point,while pion remains massive. The chiral meson masses atµ=µE show behavior similar to Fig.3as functions of T.These behavior is consistent with that obtained in the linear the sigma model[5].In conclusions,we investigated the phase structure and the chiral meson masses at the critical point from QCD in the improved ladder ing the variational approach,we calculated the effective potential atfinite temperature and chemical potential.In the chiral limit,we found the mixed phase that consists of a low density chirally broken phase and a high density chirally symmetric phase when T is sufficiently small.For explicit chiral symmetry breaking case,the critical point was found at µE≃290MeV,T E≃95MeV.The value ofµE seems to be too large in light of the experiments at RHIC and LHC.By including strange quark mass,however,it would be reduced.The meson masses was obtained from the curvature at the minimum of the effective potential.We found that Mσalmost goes to zero at the critical point while Mπremains nonzero.The result is consistent with that obtained within the framework of the linear sigma model in the mean-field approximation[5].We have also confirmed that ¯q q at the tricritical point behaves as¯q q P∼m1/5R.Our results can be understood by the Landau-Ginzburg effective potential and partly support the experimental signature proposed in Ref.[13].Finally,some comments are in order.In this paper we did not take into account the screening of the gluon,that is to say,the Debye screening for the electric gluons.Furthermore,it has been shown that atfinite temperature the wave function renormalization makes non-negligible contribution to the critical line and the behavior of the order parameter[10].They may affect the precise location of thecritical point although the main feature of this work might not change.In any case,it is preferable to take into account the screening of the gluon,wave function renormalization and the effects of s quark in the future work.ACKNOWLEDGMENTSThe author is grateful to M.Maruyama and F.Takagi for valuable discussions.05010015000.20.40.60.8T [M e V ]n B [fm −3]FIG.1.The phase diagram in the chiral limit as a function of the baryon density and the temperature.The solid line indicates the phase transition of second order and the dashed lines indicate that of first order.050100150010*******400500T [M e V ]µ [MeV]FIG.2.The phase diagram in µ-T plane.The solid line indicates the phase transition of second order and the dashed line indicates that of first order.The thin line corresponds to the chiral limit and the thick line corresponds to m R (1GeV)=7MeV case.The points P and E represent the tricritical point and the critical point,respectively.We note that the critical chemical potential at T =0is slightly (about 2%)larger than previous papers [9]because we have improved the numerical calculation.0100200300400500600200250300350400M σ,M π [M e V ]µ[MeV]FIG.3.The chemical potential dependence of M σ(solid line)and M π(dotted line)at T =T E .。