Quantization of triangular Lie bialgebras

We derive a universal twisting element for an arbitrary triangularγ-matrix using a simple analogue of the Fedosov quantization method. Presented at the 11th Colloquium “Quantum Groups and Integrable Systems”, Prague, 20–22 June 2002. The work of SLL is partially supported by RFBR grant 00-02-17-956 and the grant INTAS 00-262. The work of AASh is supported by RFBR grant 02-02-06879 and Russian Ministry of Education under the grant E-00-33-184. The work of VAD is partially supported by the grant INTAS 00-561 and by the Grant for Support of Scientific Schools 00-15-96557. The work of API is partially supported by the RFBR grant 00-01-00299.     

Electron Spin Resonance and Cyclic Voltammetry Studies of Nitrofurane and Nitrothiophene Analogues of Nifurtimox

The electron spin resonance (ESR) of radicals obtained by electrolytic reduction of 4-[2-(3,4-Dimethoxiphenyl)ethyl]-1-(5-nitrofurfurylidine)semicarbazide and 4-[2-(3,4-Dimethoxyphenyl)ethyl]-1-(5-nitrothienilydene)semicarbazide were measured in DMSO. The electrochemistry of these compounds was studied in DMSO, DMF and ACN using cyclic voltammetry.     

Inhibition of corrosion of commercial mild steel in presence of tetrazole derivatives in acid medium

The inhibitive influence of tetrazole derivatives namely, 1-(9¹-acridinyl)-5-(4′-aminophenyl) tetrazole, 1-(9′-acridinyl)-5-(4′-hydroxy phenyl) tetrazole and 1-(9′-acridinyl)-5-(4′-chlorophenyl) tetrazole on the corrosion of commercial mild steel in 1 N hydrochloric acid medium was studied by weight loss method. The monolayer adsorption has been confirmed by fitting the data to the Langmuir adsorption isotherm. Weight loss studies have been carried out at 303K, 318K and 333K. Thermodynamic parameters like heat of adsorption, activation energy and free energy change have been calculated. The maximum inhibition of efficiency of tetrazole derivatives, 1-(9′-acridinyl)-5-(4′-amoinophenyl) tetrazole, 1-(9′acridinyl)-5-(4′-hydroxyphenyl) tetrazole and 1-(9′-acridinyl)-5-(4′-Chlorphenyl) tetrazole was found to be 60.59%, 89.00% and 92.74, respectively. Paper presented at the 2nd International Conference on Ionic Devices, Anna University, Chennai, India, Nov. 28–30, 2003.     

Study of the interaction of gemini surfactant NAE12-4-12 with bovine serum albumin

The interaction of 1,4-bis(3-(dodecyloxylacyl)pyridinium)butane dibromide (designated as NAE12-4-12) and bovine serum albumin (BSA) was investigated by UV–vis absorption, FTIR and fluorescence spectroscopies. The results showed that NAE12-4-12 had strong ability to quench the intrinsic fluorescence of BSA and caused the emission peak blueshift through a static quenching process. The binding constant of NAE12-4-12 with BSA decreased with increasing temperature. The binding process was exothermic, spontaneous and enthalpy driven. The distance between BSA and NAE12-4-12 decreased with incremental concentration of NAE12-4-12. Furthermore, FTIR spectra of BSA–NAE12-4-12 reflected that the secondary structure of BSA changed in the presence of NAE12-4-12, and the curve fitting of IR spectra revealed that the content of α-helix decreased while those of β-sheet, β-turn and random coil rose.     

野生蕈菌孢子的傅里叶变换红外光谱研究

傅里叶变换红外光谱法(FTIR)研究了9种野生蕈菌的孢子,分析了主要吸收峰的归属,结果显示孢子的主要成分为脂类物质、蛋白质和多糖等。在1800—750cm-1光谱范围内,不同属、不同种的野生蕈菌孢子光谱显示了一定的差异,可以用来区分不同种类的孢子。对1800—1500cm-1和1200—1000cm-1范围的二阶导数光谱分别进行相关分析,9种孢子在1800—1500cm-1范围内的相关性相对较好,相关系数在0.843—0.998范围,表明它们含有的主要化学成分脂类物质、蛋白质等比较相似;在1200—1000cm-1范围内相关性较差,相关系数最大为0.780,最小为0.144,表明多糖物质构型或含量具有较大差异。傅里叶变换红外光谱结合特征峰分析和相关分析极有可能用于鉴别蕈菌孢子。     

2—溴甲基萘荧光和室温磷光性质研究

研究了２－溴甲基萘（２－ＢｒＭＮ）的荧光及磷光性质。２－溴甲基萘是一种优良的荧光试剂,λｅｘ／λｅｍ＝２７４／３３４ｎｍ,其浓度在１．０×１０＾－６～１．２×１０＾－４ｍｏｌ·Ｌ＾－１范围内与荧光强度呈良好的线性关系,相关系数ｒ＝０．９９９,最低检测限为４．７×１０＾－８ｍｏｌ·Ｌ＾－１。以β－环糊精（β－ＣＤ）作保护剂和１,２－二溴丙烷（ＤＢＰ）为重原子微扰剂的２－ＢｒＭＮ／β－ＣＤ／ＤＢＰ体系     

原子吸收法间接测定水中可溶性PO4^3—的研究

研究并建立了测定水中PO4^3-的方法,用草酸钙将PO4^3-转化为磷酸钙,加醋酸溶解磷酸钙,离心沉降未反应的试剂,用AAS法测定清液中的Ca^2 ,即可间接测定PO4^3-的含量。     

化学发光法测定甲萘威

在NaOH介质中,铁氰化钾氧化鲁米诺产生化学发光,甲萘威对该发光反应有较强的抑制作用且抑制发光强度与甲萘威的浓度呈较好的线性关系,基于此性质建立了测定甲萘威的新方法。在实验的优化条件下,测定甲萘威的检出限为5.5×10-11mol.L-1,线性范围为1.5×10-10—4.0×10-8mol.L-1,对5.0×10-9mol.L-1甲萘威进行了11次平行测定,其RSD为1.74%。该法用于合成样品中甲萘威的测定,结果令人满意。     

三苯胺衍生物分子非线性光学性质的理论研究

在密度泛函理论水平上,利用响应函数方法,研究了1-{(1E)-2-[4-(二苯胺基)苯基]乙烯基}-4-[4-N,N-二甲胺]苯(PVMB)和1-[(1E)-2-(4-(1E)-2-{4-[4-N,N-二甲胺]苯基}乙烯基)苯基]苯胺}苯基)乙烯基]-4-[4-N,N-二甲胺]苯(DPVMB)两分子的双光子吸收特性.计算结果表明,这两个化合物都具有较好的双光子吸收特性,且具有两分支结构的DPVMB分子比具有单支结构的PVMB分子有更强的双光子吸收强度.计算数值结果和实验结果符合地较好.     

锌(Ⅱ)-氟罗沙星光化学荧光法测定药物制剂中的氟罗沙星

氟罗沙星在紫外光的照射下易发生光解作用。依据氟罗沙星的光解产物与Zn2+离子形成配合物,能显著地增敏氟罗沙星的荧光强度,建立了敏化荧光分析氟罗沙星的新方法。探讨了酸度、[Zn2+]/[PHFLRX]浓度比和光照等对荧光强度的影响。结果表明该方法的线性范围为5.0×10-8～5.0×10-6 mol·L-1,检出限为4.2×10-8 mol·L-1。对浓度为5.0×10-7 mol·L-1的氟罗沙星平行测定20次,计算其相对标准偏差(RSD)为1.7%。对针剂、片剂和尿样中的氟罗沙星分别进行了测定,其回收率为95.0%～105.0%。并在实验的基础上,对其机理进行了合理的推测。     

Measurement of the muonic branching fractions of the narrow upsilon resonances

The decay branching fractions of the three narrow Upsilon resonances to mu(+)mu(-) have been measured by analyzing about 4.3 fb(-1) e(+)e(-) data collected with the CLEO III detector. The branching fraction B(Upsilon(1S)-->mu(+)mu(-))=(2.49+/-0.02+/-0.07)% is consistent with the current world average, but B(Upsilon(2S)-->mu(+)mu(-))=(2.03+/-0.03+/-0.08)% and B(Upsilon(3S)-->mu(+)mu(-))=(2.39+/-0.07+/-0.10)% are significantly larger than prior results. These new muonic branching fractions imply a narrower total decay width for the Upsilon(2S) and Upsilon(3S) resonances and lower other branching fractions that rely on these decays in their determination.     

Structure of Rb-III: novel modulated stacking structures in alkali metals

The crystal structure of Rb-III, stable between 13 and 17 GPa, has been determined from quasi-single-crystal x-ray diffraction data. It is orthorhombic, space group C222(1), with 52 atoms in the unit cell, and has an 8-10-8-8-10-8 stacking of 8- and 10-atom layers. The recently reported 84-atom structure of Cs-III can be understood as an 8-8-10-8-8-8-8-10-8-8 stacking of the same layers. These represent a new class of modulated elemental structures.     

内混合气溶胶粒子体系有效吸收系数的计算

分析了以黑碳和水组成的内混合强吸收气溶胶粒子体系有效吸收系数随时间变化的规律,并讨论了不同波长、不同半径比等对有效吸收系数的影响。结果表明:波长越短,内混合气溶胶粒子体系有效吸收系数越大,在1~100 s内随时间增大的速度也越快,1~100 s内的增幅比100~1000 s内的大,最大增幅达到132.65%;不同的内外半径比对内混合气溶胶粒子体系的有效吸收系数有较大影响,内外半径比越大,有效吸收系数越大,在1~100 s有效吸收系数增加速度越快,1~100 s内增幅较大,最大增幅达到138.66%。     

The out-of-plane vibrations of aza-aromatic molecules

A transferable valence force field has been developed for application to the out-of-plane vibrations of benzene, naphthalene, and their aza- (i.e., nitrogen-) substituted derivatives. The azanaphthalenes were the principal objective of the work. Existing vibrational frequency assignments have been reviewed, rationalized, and in some cases extensively revised. The molecules treated are quinoline and isoquinoline; nine diazanaphthalenes (1,2-; 1,3-; 1,4-; 1,5-; 1,6-; 1,7-; 1,8-; 2,3-; 2,7-) and nine tri- and tetraazanaphthalenes (1,3,5-; 1,3,6-; 1,3,7-; 1,3,8-; 1,4,5-; 1,4,6; 1,3,5,8-; 1,4,5,8-; 2,3,6,7-). In the course of reconsidering the spectra of these molecules it was necessary to review the assignments of the planar frequencies in the range 350–1000 cm^?1. These too are tabulated. The calculations on the azabenzenes (pyridine, etc.) support recent work of Kakiuti et al. (J. Mol. Spectrosc.61, 164 (1976)).     

花卉微量元素含量分析及测试条件研究

研究了火焰原子吸收分光光度法 (AAS)对花卉的微量元素钙、镁、钴和钾的测定方法 ,为花卉的货架保鲜研究提供参考数据。系统考察了燃助比、燃烧器高度、元素空心阴极灯的灯电流和光谱通带等测试条件对这几种被测元素的影响。实验表明 ,在选定实验条件下 ,Ca在 0～ 5 0 μg·mL-1,Mg在 0～ 80 μg·mL-1,Co在 0～ 4 μg·mL-1,K在 0～ 12 0 μg·mL-1范围内均符合比尔定律 ,相关系数 (r)为 0 9975～ 0 9995。方法操作简便、快速、选择性好 ,准确度和精密度都能满足分析要求。该法用于玫瑰和月季两个花卉品种的分析 ,结果令人满意 ,方法回收率在 97%～ 10 4 %之间 ,相对标准偏差为 1 2 %～ 2 3%。     

Observation of B Meson decays to b1pi and b1K

We present the results of searches for decays of B mesons to final states with a b1 meson and a charged pion or kaon. The data, collected with the BABAR detector at the Stanford Linear Accelerator Center, represent 382x10(6) BB[over ] pairs produced in e+e- annihilation. The results for the branching fractions are, in units of 10(-6), B(B+-->b1(0)pi+)=6.7+/-1.7+/-1.0, B(B+-->b1(0)K+)=9.1+/-1.7+/-1.0, B(B0-->b1(-/+)pi(+/-))=10.9+/-1.2+/-0.9, and B(B0-->b1(-)K+)=7.4+/-1.0+/-1.0, with the assumption that B(b1-->omega pi)=1. We also measure charge and flavor asymmetries A(ch)(B+-->b1(0)pi+)=0.05+/-0.16+/-0.02, Ach(B+-->b1(0)K+)=-0.46+/-0.20+/-0.02, A(ch)(B0-->b1(-/+)pi(+/-))=-0.05+/-0.10+/-0.02, C(B0-->b1(-/+)pi(+/-))=-0.22+/-0.23+/-0.05, DeltaC(B0-->b1(-/+)pi(+/-))=-1.04+/-0.23+/-0.08, and A(ch)(B0-->b1(-)K+)=-0.07+/-0.12+/-0.02. The first error quoted is statistical, and the second systematic.     

Resonance states of atomic Di-anions

Metastable states of O (2-), S (2-), B (2-), and Al (2-) are studied in the framework of the complex absorbing potential method using highly correlated multireference configuration interaction wave functions. The first row species O (2-) and B (2-) are found to be broad resonances showing widths of roughly 1.7 eV, whereas the second row systems S (2-) and Al (2-) possess widths clearly smaller than 1 eV. The identified resonance states are compared to the fundamental H (2-) resonance, and the relationship with recent electron scattering experiments is discussed.     

Isotope studies to the sorption behavior of atmospheric sulfate in humus layers of scots pine ecosystems

The sorption potential for SO4(2-) in humus layer samples from field sites along a deposition gradient was determined experimentally in batch experiments. The Freundlich equation was used to quantify the sorption of added SO4(2-) in humus layer samples and to determine site-dependent sorption parameters. SO4(2-) sorption in humus layers is a concentration-dependent process. The linearity of isotherms reveals that SO4(2-) is reversibly bound in the organic surface layer, as long as soil solution concentrations remain above 26 to 44 mg SO4(2-) L(-1). Natural isotope variations of sulfur in SO4(2-) were analysed to investigate the degree of sorption of dissolved atmospheric and added SO4(2-). Both sulfate species differed significantly in their isotope composition. The pattern of delta34S values for SO4(2-) in all equilibrium solutions confirm the findings from sorption isotherms, showing a close relationship between the sulfur isotope ratios of SO4(2-) in soil solutions and the amount of SO4(2-) sorbed at the humus layer matrix. Stored atmospheric SO4(2-) in humus layers is released at sites where sulfate concentration in throughfall drops below 26 mg SO4(2-) L(-1). Concentration of soluble Fe decreased with increasing sulfate sorption, thus supporting the assumption that active Fe for example is important. Iron probably stabilizes the reactive surface of humus complexes and therefore has a positive influence on the SO4(2-) sorption in humus layers.     

Synthesis of p-hydroxycinnamic acid derivatives and investigation of fluorescence binding with bovine serum albumin

Four novel p-hydroxycinnamic acid amides, (E)-4-(3-oxo-3-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)amino)prop-1-en-1-yl)phenyl-acetate (SPPA), (E)-3-(4-hydroxyphenyl)–N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)acrylamide (SPAA), (E)-4-(3-((4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)amino)-3-oxoprop-1-en-1-yl)phenyl acetate (SPOA), and (E)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(4-hydroxyphenyl)acrylamide (SPHA), were synthesized. The chemical structures of these compounds were confirmed using ¹H-NMR, ESI-MS, and elemental analyses. SPPA and SPOA were determined using single-crystal X-ray diffraction analysis. The interactions of these four compounds with bovine serum albumin (BSA) were investigated through fluorescence and UV–vis spectral studies. The thermodynamic parameters (i.e., ΔH, ΔG, and ΔS) and the quenching constants were calculated. The binding constants and the number of binding sites, n, were investigated. The distances between BSA and its derivatives were obtained based on fluorescence resonance energy transfer, and the conformational changes in BSA were observed from synchronous fluorescence spectra.     

钨酸铅晶体中与铅空位有关的电子结构和色心模型研究

根据密度泛函理论对钨酸铅晶体中铅空位周围的晶格进行了结构优化，计算得到铅空位周围的晶格结构、电子态密度分布和偏振吸收光谱；计算结果表明钨酸铅晶体中铅空位的两价负电性是通过铅空位周围的氧共同抓获两个空穴来维持局部电中性的，即铅空位周围形成的色心模型为［O₂^3--V_Pb^2--O₂^3-］，不同的氧离子抓获空穴方式不同形成不同的色心，对应不同的吸收带；根据吸收带的偏振性质，提出了各个 关键词： 钨酸铅晶体 色心模型 电子结构 偏振特性