Theoretical Studies on Vibronic Spectra of Organic Conjugated Molecules

分子电子光谱（包括吸收、荧光、磷光、共振拉曼等）是研究分子光物理和光化学性质最重要的实验手段。分子激发态的性质正是通过研究分子的电子光谱、特别是精细电子光谱得以确定。现代量子化学理论和计算方法的发展，使我们能够从理论角度预测相对较大分子体系的电子光谱峰形，理解电子光谱特征，揭示电子光谱中隐藏的分子激发态的重要信息。通过对分子激发态的量子化学计算，可以获得激发态的几何构型、振动频率、垂直和绝热激发能、跃迁偶极矩等在内的一系列信息。振动分辨模拟电子光谱和对应实验光谱的比较，可以验证激发态性质理论计算预测的正确性。分子电子振动跃迁的深入理论研究，不仅有助于合理地解释分子电子光谱的复杂峰形，而且对分子...Molecular electronic spectra (including absorption, fluorescence, phosphorescence, resonance Raman, etc.) are the basic experimental technology for the study of molecular photophysical and photochemical processes. The vibronic electronic spectra can be utilized to explore the nature of molecular excited states. The rapid development of theoretical chemistry and computational technology makes it po...学位：理学博士院系专业：化学化工学院_物理化学(含化学物理)学号：2052009015332

Some properties of solutions for a class of semilinear heat equations with strong nonlinear sources

本文在区域$Q=\Omega\times(0,T)$上研究了一类具强非线性源的半线性热方程u_{t}=\triangleu+min\{\epsilon^{-1},u^p\}的初边值问题解的性质,其中\epsilon>0,p>1,T>0,\Omega\subset\mathbb{R}^n是一有界区域.初值u(x,0)=u_0(x)\inC^1(\overline{\Omega}),且$u_0(x)\geqslant0.$记上述问题的解为$u^\epsilon$,令截断函数T_K(r)=min\{K,max\{r,-K\}\},\forall\,\,K>0....This paper is devoted to the study of the initial-boundary problem for a class of semilinear heat equations with strong nonlinear sources of the form $u_{t}=\triangle u+min\{\epsilon^{-1},u^{p}\}$ on $Q=\Omega\times(0,T)$,\,where \epsilon >0, p>1, T>0,\Omega\subset \mathbb{R}^n is a bounded domain. The initial data $u(x,0)=u_0(x)\in C^1(\overline{\Omega})$ with $u_0(x)\geqslant 0.$ Let ...学位：理学硕士院系专业：数学科学学院数学系_基础数学学号：20032300

The dist ribution of mar ine colloids and their morphological characteristics

国家重点基础研究发展规划项目( G200078500) ; 国家杰出 青年科学基金项目( 49825162

星系中心大质量黑洞及潮汐瓦解恒星事件

黑洞潮汐瓦解恒星事件(Tidal Disruption Events,TDE)是星系中心黑洞瓦解进入其潮汐瓦解半径内的恒星并吸积恒星碎片物质而产生的一种剧烈辐射耀发现象.TDE的能谱和光变特征中蕴含了中心黑洞和被瓦解的恒星的信息,为我们证实和普查宁静星系中的黑洞,研究其参数、吸积过程和喷流产生、以及核区星际介质等提供了可能.TDE还可能提供中等质量黑洞和双黑洞存在的证据.TDE的观测和理论已成为一个新开辟的天体物理研究领域,但目前的进展受制于探测到事件太少(尤其是在X射线波段),且观测数据普遍质量不高.TDE的发生率很低,要探测大样本的事例需要监测足够大的空间体积.爱因斯坦探针卫星(Einstein Probe,EP)覆盖了0.5–4 keV的软X射线波段(接近TDE耀发时的辐射峰值能段),具有大视场以及高灵敏度,非常利于对TDE的探测.预期爱因斯坦探针卫星每年可以发现约几十至上百例TDE,其中有约10例或更多具有相对论性喷流特征.这将使我们可以获得较为完备、具有统计意义的TDE的样本,为进一步研究黑洞的存在和统计性质、增长和演化、发现中等质量黑洞和大质量双黑洞等提供了新的途径.中国科学院空间科学战略性先导科技专项(编号:XDA15052100);;北京大学“985工程”建设项目“星团环境对双黑洞形成演化过程的干扰及其对引力波探测的影响”资

饲喂不同浓度黄曲霉毒素B_1饲料对异育银鲫成鱼的生长和毒素积累的影响

以含不同浓度黄曲霉毒素B1(AFB1)的配合饲料饲喂异育银鲫(Carassius auratus gibelio)成鱼56d,研究异育银鲫成鱼[(122.3±0.7)g]生长、生理反应、肝脏组织学变化、卵巢发育以及鱼体各组织中的AFB1的毒素积累状况。实验分为5个实验组,不同实验组饲料中AFB1含量分别为0、5、20、50、500μg/kg饲料(实测值分别为2.59、4.12、12.39、46.23、454.07μg/kg饲料),每个处理3个平行。在整个实验过程中各实验组均未表现出外部形态和行为异常,各组存活率均达到100%。各实验组异育银鲫成鱼终末体重、摄食率(FR)、特定生长率(SGR)和饲料效率(FE)均无显著差异。饲料AFB1水平对异育银鲫血清总胆固醇(TC)含量、血清谷丙转氨酶(GPT)、谷草转氨酶(GOT)和碱性磷酸酶(AKP)活性均无显著影响。各毒素组血清超氧化物岐化酶(SOD)活性与对照无显著差异。各毒素组肝脏和卵巢均未见明显的组织学病理变化。肌肉和性腺中的AFB1积累量低于FDA食品安全限定标准(5μg/kg)。肝胰脏中的AFB1积累和饲料中的AFB1水平呈对数关系。饲喂AFB1≥50μg/kg饲料使异育银鲫成鱼肝脏AFB1积累超过安全限量标准。结果表明,异育银鲫成鱼至少可耐受AFB1含量达500μg/kg饲料(实测值:454.07μg/kg饲料)56d

Cloning and expression analysis of lipopolysaccharide-induced TNF-α(LITAF) of Japanese scallop (Mizuhopecten yessoensis)

脂多糖诱导的肿瘤坏死因子(lIPOPOlySACCHArIdE-InduCEd Tnf-AlPHA fACTOr,lITAf)是一类重要的炎症细胞因子,在先天性免疫系统中发挥重要的介质作用。文章根据虾夷扇贝lITAf基因EST序列,应用rACE技术克隆了虾夷扇贝lITAf全长CdnA,对序列及编码的氨基酸进行生物信息学分析。结果显示,该基因CdnA全长1 551 bP,其5′非编码区包含76 bP,3′非编码区包含1 001 bP;开放阅读框(Orf)为474 bP,编码157个氨基酸,氨基酸序列中存在一个保守的lITAf结构域;理论分子量16.99 kdA,等电点为6.24。lITAf基因序列为3 698 bP,由3个外显子和两个内含子组成。利用实时荧光定量PCr技术分析lITAf在虾夷扇贝不同组织、不同胚胎发育阶段以及鳗弧菌(VIbrIO AnguIllAruM)刺激后各时间段的表达情况。结果表明:lITAf基因在所检测的6个成体组织中均有表达,其中肾脏的表达量最高;胚胎发育的7个时期中,担轮幼体时期表达量最高;菌刺激36 H实验组与对照组的表达量差异大。lITAf基因是lITAf家族的一员,推测lITAf基因参与虾夷扇贝的先天性免疫反应。The lipopolysaccharide-induced TNF-alpha factor(LITAF) is an inflammatory cytokine,which plays an important role in innate immunity system.Based on the expressed sequence tag(EST) of Japanese scallop(Mizuhopecten yessoensis),the cDNA of LITAF gene was amplified using rapid amplification of cDNA ends(RACE) approach.Results showed that the full-length cDNA of LITAF is 1 551 bp consisting of a 5′ untranslated region(UTR) of 76 bp,a 3' UTR of 1 001 bp,and an open reading frame(ORF) of 474 bp encoding a polypeptide of 157 amino acids,and there is a conserved LITAF domain in amino acid sequences.The estimated molecular mass is 16.99 kDa and the theoretical isoelectric point is 6.24.The total length of LITAF is 3 698 bp,which includes three exons and two introns.Real-time quantitative PCR was carried out to measure LITAF mRNA expression in adult tissues and monitor mRNA expression patterns during embryonic development after bacteria(Vibrio anguillarum) challenged.The expression level of LITAF mRNA was detected in all the adult tissues with the highest in the kidneys.The trochophore owns the highest expression level of LITAF in embryonic development.LITAF expression showed significant difference(P<0.01)between the control and bacteria challenged specimens at 36 h.These results suggest that the LITAF should be a member of the LITAF family that perhaps involved in the innate immune response of Japanese scallop.国家海洋公益性行业科研专项(编号:200805037);国家自然科学基金项目(编号:31140073)资

Study on odor response patterns of patients with exterior syndrome based on electronic nose technology

目的:运用电子鼻技术探讨表证患者口腔呼气的气味图谱特征。方法:选择表证患者(青年学生)114例和健康青年学生255名,运用基于薄膜型气体传感器阵列技术的医用电子鼻(nAnOfIlM-EnOSE MEdICAl001)采集口腔呼气的气味图谱,以响应曲线的振幅和上升斜率作为曲线特征,分析表证患者及其寒热病性的图谱特征。结果:1表证患者的气味图谱响应曲线A、b、d、E、g、H的振幅和上升斜率均显著高于健康学生(P<0.05,P<0.01)。2表寒证和表热证患者的气味图谱响应曲线A、b、d、E、g、H的振幅均显著高于健康学生(P<0.05,P<0.01)。3表寒证患者的气味图谱响应曲线A、b、d、g的上升斜率显著高于健康学生(P<0.05,P<0.01)。表热证患者的气味图谱响应曲线A、b、d、E、g、H的上升斜率显著高于健康学生(P<0.05,P<0.01)。4表热证患者的气味图谱响应曲线A、b、d、E、H的振幅和上升斜率均显著高于表寒证患者(P<0.05)。结论:表证患者口腔呼气的气味较健康人浓烈,且表热证患者气味变化较表寒证患者更明显,本电子鼻能够较为敏感和准确地辨识表证患者口腔呼气的气味特征及其寒热病性,电子鼻技术的发展可为中医嗅诊客观化研究提供手段和方法。Objective: To explore the odor response pattern characteristics of oral breath of patients with exterior syndrome by electronic nose.Methods: 114 patients with exterior syndrome(young students) and 255 healthy young students were observed.Odor response patterns of oral breath were collected by the electronic nose(Nanofilm-Enose Medical001) based on a thin film of gas sensors array.The amplitude and rising slope of response curves were selected as curve characteristics to analyze pattern characteristics of exterior syndrome including exterior cold syndrome and exterior heat syndrome.Results: ①In odor response patterns of patients with exterior syndrome,the amplitudes and rising slopes of response curve A,B,D,E,G and H were significantly higher than those of healthy students(P<0.05,P<0.01).②In odor response patterns of patients with exterior cold syndrome and with exterior heat syndrome,the amplitudes of response curve A,B,D,E,G and H were significantly higher than those of healthy students(P<0.05,P<0.01).③In odor response patterns of patients with exterior cold syndrome,the rising slopes of response curve A,B,D and G were significantly higher than those of healthy students(P<0.05,P<0.01).In odor response patterns of patients with exterior heat syndrome,the rising slopes of response curve A,B,D,E,G and H were significantly higher than those of healthy students(P<0.05,P<0.01).④In odor response patterns of patients with exterior heat syndrome,the amplitudes and rising slopes of response curve A,B,D,E and H were significantly higher than those of patients with exterior cold syndrome(P<0.05).Conclusion: The odors of oral breath of patients with exterior syndrome were significantly stronger than those of healthy people.The odors of patients with exterior heat syndrome were significantly stronger than those of patients with exterior cold syndrome.This electronic nose could distinguish odor characteristics of oral breath of patients with exterior syndrome sensitively and accurately;and it could also distinguish odor characteristics of exterior cold syndrome from exterior heat syndrome.The development of electronic nose could provide a kind of new means for the study on the objectification of TCM smelling examination.国家自然科学基金项目(No.30901899); 福建省教育厅A类项目(No.JA09132)~

Preparation of potassium diformate by methyl formate and potassium hydroxide

联系人：李清彪. 第一作者：詹国武（1986—），男，学士.[中文文摘]本研究采用甲酸甲酯、氢氧化钾、甲酸为原料，一步反应制备二甲酸钾。系统地考察了影响产品收率的主要因素，优化了工艺条件，结果表明，当n(MF)/n(KOH)=1.20，n(HCOOH)/n(KOH)=1.44，反应时间为30min，反应温度为55℃时，二甲酸钾产品收率可达 98.8%。产品经红外光谱分析及成分测定，符合质量标准。[英文文摘]In this study, methyl formate, potassium hydroxide and formic acid were used as raw materials for one-step synthesis of potassium diformate. The main factors affecting the quality and yield of product were investigated. The optimal conditions for reaction were: molar ratio of MF to KOH 1.20:1, molar ratio of HCOOH to KOH 1.44:1, reaction time 30 min and reaction temperature 55℃. The product met the quality standard of potassium diformate after infrared spectrum analysis and composition determination.厦门大学创新性实验计划资助项

Compositional and structural characterization of marine organic colloids-an overview

国家自然科学基金项目(49976021);; 国家重点基础研究发展规划项目(G2000078500);; 杰出青年基金项目(49825162

神经导航在颅内胶质瘤显微手术的应用

目的　评价神经导航在颅内胶质瘤显微手术的应用价值。方法　应用神经导航系统进行颅内胶质瘤显微手术 30例。结果　用神经导航系统进行胶质瘤及其周围解剖结构定位准确 ,平均注册误差 (2 .5± 0 .4 )mm。术后近期复查CT或MR证实胶质瘤全切率 83.3% ,手术时间和住院日较常规开颅手术缩短。结论　 (1)神经导航定位精确 ,有助于手术计划的精确实施。 (2 )实时导航颅内胶质瘤显微手术 ,有助于达到微侵袭效果和提高胶质瘤全切除率。 (3)摸索一套减少靶点漂移的经验