笨+六氟代苯相合熔点化合物及其固液平衡的热力学计算

使用Gibbs-Duhem方程和四参量GE方程,在272.00 K到278.00 K区间,计算了10个温度的两组元活度系数和GE方程,在272.00 K,x2=0.5,GE=1 184.70 J·mol-1,SE=21.10 J.mol-1·K-1,HE=6 921.11 J·mol-1,272.00 K相合熔点化合物的离解平衡△,Gθm=487.54 J·mol-1,△,hθm=21 364.11 J·mol-1,△,Sθm=76.75±0.01 J·mol-1·K-1.体系接近于规则溶液模型,在化合物存在相区离解反应的反应焓变和熵变均可视之为常量,液相区不会存在稳定的化合物.     

四氯化碳+环己酮相合熔点化合物及其固液平衡的热力学计算

对四氯化碳 环己酮固液平衡体系,在223 K到233 K区间,使用四参量GE方程和G ibbs-Duhem方程,计算了8个温度的两组元活度系数和GE方程,在相合熔点233.85 K,x2=0.5,GE=1 405.25 J.mol-1,SE=-64.48 J.mol-1K-1,HE=16 483.98 J.mol-1.该体系相合熔点化合物的离解平衡ΔrGmθ=R(1.65164T-0.007 87T2)J.mol-1,ΔrHmθ=3 415.34 J.mol-1,ΔrSmθ=13.675±0.003 J.mol-1K-1.     

偶氮胂III-β环糊精包合物与DNA作用方式的光谱法研究

在pH=7.40的Tris-HCl缓冲溶液中,采用紫外光、荧光光谱法和粘度法研究了偶氮胂-β-环糊精包合物(β-CD-AS)与鲱鱼精DNA的作用方式.用摩尔比法确定了β-CD-AS与DNA的结合比为5:1.通过热力学研究得出结合常数为K291.15K=8.68×105 L·mol-1,K310.15K=8.43×105 L·mol-1.热力学函数为ΔrHmθ=27.04J·mol-1,ΔrGmθ291.15K=-2.78×104 J·mol-1,ΔrSmθ=95.47J·mol-1·K-1.结果显示该反应为熵驱动.实验进一步表明β-CD-AS与DNA之间的作用方式为混合模式,即部分嵌插和沟渠作用.     

偶氮胂Ⅲ-β-环糊精包合物与DNA作用方式的光谱法研究

在pH=7.40的Tris-HCl缓冲溶液中,采用紫外光、荧光光谱法和粘度法研究了偶氮胂-β-环糊精包合物(β-CD-AS)与鲱鱼精DNA的作用方式.用摩尔比法确定了β-CD-AS与DNA的结合比为5:1.通过热力学研究得出结合常数为K291.15K=8.68×105 L·mol-1,K310.15K=8.43×105 L·mol-1.热力学函数为ΔrHmθ=27.04J·mol-1,ΔrGmθ291.15K=-2.78×104 J·mol-1,ΔrSmθ=95.47J·mol-1·K-1.结果显示该反应为熵驱动.实验进一步表明β-CD-AS与DNA之间的作用方式为混合模式,即部分嵌插和沟渠作用.     

新型除草剂(ZJ0777)与牛血清蛋白结合作用的荧光光谱研究

该实验用荧光猝灭光谱和同步荧光光谱研究了在不同温度下,新型除草剂N-(2-溴苯基)-2-(4,6-二甲氧基-2-嘧啶氧基)苄胺[ZJ0777][C19H18BrN3O3]与牛血清蛋白(BSA)结合反应的光谱行为.发现BSA与ZJ0777发生反应生成了新的复合物,属于静态荧光猝灭,由Lineweaver-Burk双倒数方程求出了不同温度下反应时复合物的形成常数KLB(287 K:1.955×103 L·mol-1;298 K:2.441×103L·mol-1;308 K:3.041×103 L·mol-1)及对应温度下结合反应的热力学参数(△H=15.566 kJ·mol-1;△S=117.24,117.08,117.22 J·K-1;△G=-18.082,-19.325,-20.537 kJ·mol-1),证明二者主要靠疏水作用力结合,结合点位为1.同时利用同步荧光光谱,考察了ZJ0777对BSA构象的影响.     

光谱法研究加替沙星与牛血清白蛋白的相互作用

采用荧光光谱和紫外吸收光谱法研究牛血清白蛋白与加替沙星的相互作用机制.由荧光光谱可知加替沙星对牛血清白蛋白有猝灭作用;用Stern-Volmer方程求得在17℃和25℃温度下它们的结合常数分别为1.14×107L·mol-1和6.30×106L·mol-1,结合位点数分别为1.46和1.44;用热力学方程处理实验数据得到结合反应的相关参数(25℃):△H=53.46 kJ·mol-1,△G=-38.79 kJ·mol-1,△S=49.24 J·K-1·mol-1;并用三维荧光光谱和同步荧光光谱探讨加替沙星对牛血清白蛋白构象的影响.实验结果表明,加替沙星对牛血清白蛋白的猝灭方式为静态猝灭,它们间的主要作用力为静电作用.     

壳聚糖-铝氧化物复合材料对Cd2+的吸附动力学及热力学

对壳聚糖-铝氧化物复合材料吸附Cd2+离子的动力学和热力学进行了研究.在实验条件下,动力学研究表明该吸附符合伪二级动力学方程,吸附表现活化能Eα =46.11 kJ/mol;热力学研究表明,此吸附过程符合Langmuir等温方程,焓变△Hθ=11.15 kJ/mol,熵变△Sθ=80.11 J/(mol.K),吸附吉布...     

纳米硫化铜与明胶蛋白质的直接键合作用

在pH=12.0的明胶溶液中,采用一锅化学反应法制得水溶性明胶/CuS纳米生物复合物.利用透射电子显微镜(TEM)、X射线粉末衍射(XRD)对复合物进行表征,显示纳米CuS颗粒为球状且表面被明胶大分子包覆.紫外-可见吸收光谱(UV-Vis)和傅里叶红外光谱(FT-IR)表明CuS与明胶肽链的酰胺基键合;CuS与明胶的键合,对明胶内源荧光有着较强的猝灭作用,为静态猝灭过程.由修正的Scatchard公式模型求出复合物的表观形成常数,结合位点数以及反应的热力学参数(△rHm=37.88kJ·mol-1;△rSm=216.77J·K-1·mol-1;△rGm=-57.44/-58.98/-60.69kJ·mol-1),结果表明反应是自发进行(△rGm0),且为熵驱动(△rSm0).     

Kinetic studies of the decom position reaction of adducts of dinuclear Fe( Ⅱ )/O2

Kinetic studies of the decomposition reaction of dinuclear Fe( Ⅱ ) adducts [Fe2(N-Et-HPTB){O2P(OPh)2}](CIO4)2 (1)and [Fe2(N-Et-HPTB) {O2P(Ph)2}] (CIO4)2 (2) with O2 have been carried out at low temperature using UV-vis spectra. The decomposition reaction of Fe( Ⅱ)/O2 adducts was first-order in the experimental conditions, and the activation parameters were obtained. △H￠ = 85.62 kJ @ mol-1, △S≠= 19.43 J @ mol-1 @ K-1 for compound (1) and △H￠ = 97.97 kJ @ mol-1,△S≠ = 55.68 J @ mol-1 @ K-1 for compound (2). These results are similar to those of dioxygen adducts of other metals complexes and natural enzymes such as methane monooxygenase (MMOH).     

甲磺酸帕珠沙星与牛血清白蛋白作用的光谱法研究

用荧光光谱法和紫外-可见吸收光谱法研究了甲磺酸帕珠沙星(PM)与牛血清白蛋白(BSA)之间的相互作用.结果表明,PM可使BSA的荧光强度显著降低;求得16℃和27℃下二者的结合常数分别为KA1=1.209×104,KA2=8.978×103,结合位点数分别为n1=0.92,n2=0.85;BSA色氨酸残基和帕珠沙星分子间的距离r=6.46 nm,其热力学参数(27℃)ΔHθ=-19.50 kJ.mol-1,ΔSθ=10.67 J.K-1.mol-1,ΔGθ=-22.70 kJ.mol-1,同时确定了PM与BSA主要以疏水作用力和静电作用力相结合,而非单一作用力.     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

An Analysis of Catherine＇s Character——Wuthering Heights

Wuthering Heights, Emily Bronte＇s only novel, was published in December of 1847 under the pseudonym Ellis Bell. The book did not gain immediate success, but it is now thought one of the finest novels in the English language. Catherine is the key character of this masterpiece, because everybody and everything center on her though she had a short life. We can understand this masterpiece better if we know Catherine well.     

Lower Paleozoic oil relationships within Williston Basin, Canada

The Williston Basin is a significant petroleum province, containing oil production zones that include the Middle Cambrian to Lower Ordovician, Upper Ordovician, Middle Devonian, Upper Devonian and Mississippian and within the Jurassic and Cretaceous. The oils of the Williston Basin exhibit a wide range of geochemical characteristics defined as "oil families", although the geochemical signature of the Cambrian Deadwood Formation and Lower Ordovician Winnipeg reservoired oils does not match any "oil family". Despite their close stratigraphic proximity, it is evident that the oils of the Lower Palaeozoic within the Williston Basin are distinct. This suggests the presence of a new "oil family" within the Williston Basin. Diagnostic geochemical signatures occur in the gasoline range chromatograms, within saturate fraction gas chromatograms and biomarker fingerprints. However, some of the established criteria and cross-plots that are currently used to segregate oils into distinct genetic families within the basin do not always meet with success, particularly when applied to the Lower Palaeozoic oils of the Deadwood and Winnipeg Formation.     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

Design and analysis of generic LBS application developing platform

Location based services is promising due to its novel working style and contents.A software platform is proposed to provide application programs of typical location based services and support new applications developing efficiently. The analysis shows that this scheme is easy implemented, low cost and adapt to all kinds of mobile nework system.     

Achieving Unusual States of Matter Under High Pressure

正The periodicity of the elements and the non-reactivity of the inner-shell electrons are two related principles of chemistry,rooted in the atomic shell structure.Within compounds,Group I elements,for example,invariably assume the+1 oxidation state,and their chemical properties differ completely from those of the p-block elements.These general rules govern our understanding of chemical structures and reactions.Using first principles calcula-     

Exchange-Correlation and Electronic Excitation Energies from Pairing Matrix Fluctuations

We have developed an adiabatic connection to formulate the ground-state exchange-correlation energy in terms of pairing matrix linear fluctuations.This formulation of the exchange-correlation energy opens a new channel for density functional approximations based on the many-body perturbation theory.We illustrate the potential of such approaches with an approximation based on the particle-particle Random Phase Approximation(pp-RPA).This re-     

Density Functional Theory for the Response of Periodic Systems to Electric Fields Based on the Vector Potential Approach

正The electronic and nuclear(structural/vibrational)response of 1D-3D nanoscale systems to electric fields gives rise to a host of optical,mechanical,spectral,etc.properties that are of high theoretical and applied interest.Due to the computational difficulty of treating such large systems it is convenient to model them as infinite and periodic(at least,in first approximation).The fundamental theoretical/computational problem in doing so is that