傅里叶红外光谱研究血清白蛋白构象

用傅里叶红外光谱法研究了ＢＳＡ及其水溶液的红外光谱。通过对其酰胺Ｉ带傅里叶自转积谱分析,为其及部分水溶液中的二级结构构象进行了指认。结果表明,ＢＳＡ水溶液状态与固态时的二级结构是不同的。随着溶液浓度的降低,酰胺Ｉ带二级结构峰存在明显的位移现象,即１６０９．８６ｃｍ＾－１位移到１６０８．２４ｃｍ＾－１,１６３３．８５位移到１６３８．３６ｃｍ＾－１,１６５３．６９ｃｍ＾－１位移到１６５６．１０ｃｍ＾－     

Interrupting capacity of vacuum interrupters depending on thefrequency of current

Results of arc reignition voltages during current interruption of frequencies from 5.9 to 60 kHz by a short vacuum gap are presented. Measured arc reignition voltages depend on current amplitude and frequency, the values of preliminary arc current at the moment of switching on the HF current, and the discharge mode in the preceding current semiwave. Threshold amplitudes of the first semiwave of currents l_m1l and I_m1h as a function of frequency are determined. I_m1l and I_m1h divide current into three ranges to which different kinds of arc reignition voltage distribution correspond. Particularly large dispersion of reignition voltages takes place in the current range from I_m1l to I_m1h. The threshold current I_m1h is inversely proportional to frequency in the range from about 10 to 60 kHz, which is in agreement with the elaborated mathematical model     

九种蔷薇科植物叶片的傅里叶红外光谱与亲缘关系分析

以蔷薇科三个亚科九种植物的叶为材料,利用傅里叶变换红外光谱法对九种植物进行亲缘关系分析和品种鉴定。叶中主要含有大量的碳水化合物、蛋白质、脂类、核酸等物质。糖类物质的峰主要在1 440～775 cm-1之间,1 440～1 337 cm-1为纤维素、木质素的振动峰,1 000～775 cm-1为核糖的伸缩振动。蛋白质的峰主要在1 620～1 235 cm-1之间,1 620 cm-1为蛋白质酰胺Ⅰ带的CO伸缩振动,1 523 cm-1为蛋白质酰胺Ⅱ带N—H和C—N吸收峰。脂类物质的峰主要出现在2 930～1 380 cm-1之间,2 922 cm-1为脂肪CH₂的伸缩振动,1 732 cm-1是脂肪酸CO的伸缩振动。核酸的标志峰出现在1 250～1 000 cm-1,1 068 cm-1是磷酸基团的对称伸缩振动,1 246 cm-1是磷酸基团的不对称伸缩振动。研究结果表明：FTIR光谱数据经平滑、标准化处理、二阶求导、主成分分析和系统聚类建立的聚类分析模型与传统分类结果相一致。杏、樱桃聚为一类(李亚科),翻白叶、月季、草莓聚为第二类(蔷薇亚科),火棘、苹果、枇杷、海棠聚为第三类(苹果亚科),亚科聚类正确率为100%,但属聚类的正确率仅为55.56%。利用该聚类模型进行物种鉴定正确率为100%。该项研究为植物的亲缘关系分析提供了新的思路与方法。     

A CNDO study of the spectral effects of B-bonding in complexes

CNDO has been used with spectroscopic parameterization and configuration interaction for the 1∶1 and 1∶2 complexes between acetone and water; the H-bonded complex produces a blue shift in the long-wave absorption of the acetone, and the shifts combine additively as the complex enlarges. Additivity occurs also in the properties of the ground states in the 1∶1 and 1∶2 complexes, with the charge transferred to the acceptor increased by a factor 2 on passing from the 1∶1 complex to the 1∶2 complex.     

Competition of modes resonant with arbitrary cyclotron harmonics ina gyrotron with nonfixed axial structure of the high-frequencyfield

A general theory is developed for self-consistent calculations of mode competition in a gyrotron with nonfixed axial structure of the RF field for arbitrary cyclotron harmonics. The theory is applied to the gyrotron operating at the Kernforschungszentrum Karlsruhe with a frequency of 150 GHz. The formalism presented allows a self-consistent calculation of mode competition for the operating and parasitic modes at the cyclotron resonance at arbitrary harmonics. Specific calculations are carried out for the cases n₀=1, n₁ =2 and n₀=2, n₁=1. It is emphasized that the formalism considered applies only to the case in which the azimuthal orthogonality condition is satisfied: n₀m₁≠n₁ m₀. There are circumstances when this condition is not satisfied     

氮化铝结构的高温Raman光谱分析

本文测量了氮化铝在不同温度下的Raman光谱 ,并确定了氮化铝的光学声子模E2 1、A1(TO)、E2 2 、E1(TO)、A1(LO)和E1(LO)Raman散射峰的频率 ,它们分别为 2 5 2cm- 1、6 1 4cm- 1、6 5 8cm- 1、6 72cm- 1、894cm- 1和 91 2cm- 1,其中光学声子模A1(TO)、E2 2 的Raman散射峰比较明显。随着温度的升高 ,A1(TO)、E2 2 散射峰的频率向低波数方向变化 ,表明氮化铝粉末压制体中存在的压应力逐渐减小 ;这两个散射峰的半高宽逐渐增大 ,说明随着温度的升高 ,存在氮原子和铝原子的扩散使得氮化铝粉末压制体中晶体结构逐渐发生变化。由于氮化铝粉末本身在空气中易与水蒸气发生反应 ,生成的Al(OH) 3 或AlOOH在加热过程会发生分解 ,干扰样品高温Raman光谱测量。     

Ensemble averages and nonextensivity at the edge of chaos of one-dimensional maps

Ensemble averages of the sensitivity to initial conditions xi(t) and the entropy production per unit of time of a new family of one-dimensional dissipative maps, x(t+1)=1-ae(-1/|x(t)|(z))(z>0), and of the known logisticlike maps, x(t+1)=1-a|x(t)|(z)(z>1), are numerically studied, both for strong (Lyapunov exponent lambda(1)>0) and weak (chaos threshold, i.e., lambda(1)=0) chaotic cases. In all cases we verify the following: (i) both [ln((q)x triple bond (x(1-q)-1)/(1-q); ln((1)x=ln(x] and [S(q) triple bond (1- sigma p(q)(i))/(q-1); S(1)=- sigma p(i)ln(p(i)] linearly increase with time for (and only for) a special value of q, q(av)(sen), and (ii) the slope of and that of coincide, thus interestingly extending the well known Pesin theorem. For strong chaos, q(av)(sen)=1, whereas at the edge of chaos q(av)(sen)(z)<1.     

Electrodeposition of epitaxial nickel films on GaAs

The structural and magnetic properties of Ni films grown by electrodeposition from simple sulfate solutions directly onto the (0 0 1) and (0 1 1) surfaces of n-GaAs have been studied. In-plane X-ray diffraction has been used to show that Ni grows on (0 0 1) GaAs with two different preferred epitaxial relationships: (1) perpendicular to plane (0 0 1)_Ni(0 0 1)_GaAs and preferred orientation in-plane [1 0 0]_Ni[1 1 0]_GaAs and (2) perpendicular to plane (0 1 1)_Ni(0 0 1)_GaAs and preferred orientation in-plane [1 1 1]_Ni[1 1 0]_GaAs. Nickel films grown on (0 1 1) n-GaAs show only a single preferred growth relationship: perpendicular to plane (1 1 1)_Ni(0 1 1)_GaAs and in-plane [1 1 0]_Ni[1 1 0]_GaAs. The magnetic properties were strongly dependent on the substrate orientation. The films grown on GaAs (0 0 1) showed a small but definite four-fold magnetic anisotropy in plane with the highest remanence being found along the GaAs [1 0 0] direction. In contrast, the Ni films grown on the (0 1 1) GaAs showed a pronounced uniaxial anisotropy with an anisotropy field of approximately 500 Oe.     

不同品种大豆耐铝性的FTIR分析研究

利用傅里叶变换红外光谱(FTIR)法测定了2个不同耐铝性大豆品种在不同浓度铝处理下根、茎、叶的红外光谱。通过对各谱图的比较分析发现,除928～1 200 cm-1区域的FTIR差异比较明显外,未经处理的2个品种大豆红外光谱基本相似。而铝处理后2个品种大豆根、茎、叶的红外吸收峰形及峰值均与对照有较大的区别,且随铝浓度升高其FTIR区别越为明显。此外,结果表明浙春3号(铝敏感品种)的变化幅度比浙春2号(铝耐性品种)更为明显,这说明铝敏感大豆在铝胁迫下物质代谢受到了较大的影响。因此,采用FTIR法鉴别大豆不同耐铝性能够提供较为准确的结果,具有广泛的应用前景。     

甘草的红外光谱研究

利用傅里叶变换红外光谱法对59份来自中国6个不同产地的野生和栽培甘草原药材及其提取物进行了分析研究。通过比较甘草原药材及其提取物与甘草的指标成分甘草酸和甘草苷的一维及其二阶导数光谱,发现1 100～1 000 cm-1范围内的峰是甘草多糖类成分的特征峰;1 318 cm-1是草酸钙的特征峰;1 745,1 386和1 612,1 512 cm-1分别是甘草酸和甘草苷的特征指纹峰;特征峰的强度可代表相应化学成分的含量。根据上述特征峰强弱对所有样品进行横纵向比较,结果显示：野生甘草特征峰强,相应指标成分含量高;栽培甘草特征峰弱,相应指标成分含量低;甘草药材质量与生长年限密切相关。     

He原子价壳层跃迁的电子碰撞研究

在入射电子能量 2 5 0 0eV下测量了He的 11S→ 2 1S ,2 1P ,31S和 31P的微分散射截面和广义振子强度 ,并与前人的实验和理论结果进行了比较 ,认为在此入射电子能量下一阶Born近似对此 4个跃迁成立. With electron impact energy of 2 500 eV and energy resolution of 85 meV, the differential cross sections and the generalized oscillator strengths of the excitations of 1 1S→2 1S, 2 1P, 3 1S and 3 1P of helium has been measured by electron energy loss spectroscopy . Comparing with previous experimental and theoretical results, it seems that the first Born approximation is valid for these excitations under such an electron impact energy.     

基于顶空及表面增强拉曼散射(SERS)结合的葱属植物挥发性物质研究

为了在常温下鉴定新鲜植物样品的挥发性物质,且避免繁杂前期样品的制备过程,将新鲜样品切细后置入顶空瓶中,用注射器抽取顶空瓶上方的挥发性物质注入用微波法制备的纳米银溶胶中,用R-3000便携式拉曼光谱仪进行SERS的测量。获得了葱属植物大蒜、韭菜、葱的挥发性物质的表面增强拉曼光谱(SERS)。大蒜的SERS谱中较强的峰出现在307,399,569,711,1 182,1 287,1 397,1 622 cm-1处。韭菜的SERS谱中最强的峰出现在672 cm-1,较弱的峰出现在274,412,575,1 185,1 289,1 396,1 618 cm-1处。葱的SERS谱中最强的峰出现在693 cm-1,次强峰出现在372,888,1 023 cm-1处,较弱的峰出现在1 088,1 211,1 322 cm-1。获得二烯丙基二硫(diallyl disulfide)、烯丙基甲基硫醚(allylmethyl sulfide)、1-丙硫醇(1-Propanethiol)的液态、气态的SERS谱。经对比研究得出：吸附在银表面的大蒜、韭菜、葱的主要挥发性物质分别是二烯丙基二硫(diallyl disulfide)、烯丙基甲基硫醚(allyl methyl sulfide)、1-丙硫醇(1-Propanethiol)。同是葱属植物但不同种大蒜、韭菜、葱其吸附在银表面的主要的挥发性物质不一样,吸附在银表面的各种葱的主要挥发性物质都是1-丙硫醇。该实验结果表明顶空与SERS结合,不需要复杂的提取过程,可直接用于新鲜植物的挥发性物质快速检测。     

团簇Aun+1-1、AunCr-1 (n=1-10)吸附CO的密度泛函理论研究

采用密度泛函理论对CO在阴离子团簇Aun+1-1、AunCr-1(n=1-10))表面的吸附做了系统研究.结果表明,团簇Aun+1CO-1、AunCrCO-1的基态结构是在团簇Aun+1-1、AunCr-1最低能量结构的基础上吸附CO形成; 吸附后的CO键长变长,振动频率减小,表明CO分子被活化;取值相同时,AunCrCO-1的平均结合能高,表明团簇Aun+1CO-1掺杂Cr后稳定性升高.HOMO-LOMO能隙结果表明Aun+1CO-1替代掺杂Cr原子后团簇的化学活性得到了提升,AunCrCO-1、Aun+1CO-1团簇能隙具有奇偶振荡的现象;轨道电荷分析表明CO与团簇相互作用实质是C原子与成键Au原子或Cr原子间转移电荷,CO在与团簇相互作用过程中O原子轨道电荷分布几乎没有发生变化.     

密度泛函理论研究NO与AunMg-1、Aun-1 (n=1-8)的相互作用

本文采用密度泛函理论对NO在阴离子团簇AunMg-1、Aun-1 (n=1-8)表面的吸附做了系统研究.结果表明, 团簇AunMgNO-1、AunNO-1的基态与亚稳定结构是在团簇AunMg-1、Aun-1最低能量结构的基础上吸附NO形成,NO的吸附没有改变团簇AunMg-1、Aun-1的最低能量结构;吸附后的NO键长变长, 表明NO分子被活化,此外吸附后的NO均带负电;计算表明团簇AunMgNO-1、AunNO-1吸附能都具有奇偶振荡的现象,取值相同时,AunMgNO-1的吸附能较低,表明团簇AunNO-1掺杂Mg后稳定性降低;HOMO-LOMO能隙结果表明AuMgNO-1活性最低、总体上AunNO-1掺杂Mg原子后团簇的化学活性降低.     

蒙药嘎日迪-15中多糖的研究

用热水提取蒙药嘎日迪-15中水溶性多糖,经SephadexC-25进行提纯精制得纯糖,采用硫酸-苯酚法测定了其水溶性多糖含量。方法的平均回收率为100.50%,RSD为0.82%。用GC测定了蒙药嘎日迪-15中水溶性多糖主要由木糖、甘露糖、半乳糖、葡萄糖组成,其摩尔比为1.03∶1.26∶0.77∶2.30 。用溴化钾压片法测得的红外谱图显示多糖的特征吸收峰为3 417.46,2 928.65,1 742.86,1 643.69,1 149.78, 1 078.19, 1 022.56,834.57 cm-1,其中1 078.19和1 022.56 cm-1为吡喃糖特征峰,834.57 cm-1是α-吡喃糖苷键的特征吸收峰。紫外谱图在280 nm处有明显的糖吸收峰,说明有CO键存在。     

乙烯基酯树脂光固化的拉曼光谱研究

文章利用理论计算(DFT,密度泛函理论)和实验两种方法得到了乙烯基酯树脂的拉曼光谱.通过对比分析,再结合相关文献,对其光谱的振动模式进行初步的指认,拉曼光谱中苯环平面内的变形振动在1598 cm-1、C=C的伸缩振动和C=O的伸缩振动分别在1628 cm-1和1702 cm-1.3007 cm-1和3062cm-1的振动归属于=C-H的伸缩振动和苯环上C-H的伸缩振动,而-C-H的伸缩振动在2800 cm-1~3000 cm-1.并且对比了可见光固化树脂固化前后的拉曼光谱图,可见光固化树脂的固化,主要由于1630cm-1C=C的交联反应产生.     

应用ICP-MS测定双低与双高油菜籽的矿质元素含量

油菜籽中含有丰富的人体及动物必需的矿质元素,但有关不同品种油菜籽矿质元素含量差异的研究较少。选取我国长江流域冬油菜主产区正在种植的33个双低品种和12个传统双高品种,借助ICP-MS对比分析了两类甘蓝型油菜籽的矿质元素含量。检测结果表明,油菜籽中富含P,K,Ca,Mg,S,Fe,Mn等矿质元素,不同品种油菜籽矿质元素含量有一定差别。双低油菜籽中P,K,Ca,Mg和S的平均含量分别为6.26,10.17,6.75,4.82和4.52 mg·g-1,Fe,Mn,Cu,Zn和B含量为96.20,37.10,3.84,41.61和12.16 μg·g-1;双高油菜籽中P,K,Ca,Mg,S和微量元素Fe,Mn,Cu,Zn,B的平均含量分别为5.97,10.14,6.31,4.50,9.06 mg·g-1和77.03,49.86,3.72,40.58,11.79 μg ·g-1。在测定的10种元素中双低品种有八种(P,K,Ca,Mg,Fe,Cu,Zn和B)高于双高品种,其中Ca,Mg和Fe含量的差异达到显著水平。油菜籽在矿质元素含量上的差异可作为推广应用双低品种的必要因素之一。     

Effect of a high-frequency field on the reflection of ion acousticwaves from the sheath at a grid

Experiments are described which show that the reflection coefficient for ion acoustic waves (IAW) from the sheath at a grid is affected by an HF electric field with a frequency f_HF≲5f_pi(f_pi =ion plasma frequency). For peak-to-peak amplitudes of the HF voltage drop across the sheath Φ₀≲k_B T_e/e and f_HF>f _pi, the energy distribution of the ions passing through the grid develops a hot tail and the reflected wave suffers enhanced Landau damping. If Φ₀≳k_BT_e/e and f_HF<f_pi, a large-amplitude IAW is excited at the grid; a well-defined ion beam is formed; and local growth of the reflected wave is observed. Test waves launched from the grid show the same propagation characteristics as the reflected waves     

蒜氨酸和甲基蒜氨酸的红外及拉曼光谱研究

利用傅里叶红外光谱和共聚焦显微拉曼光谱技术,比较分析了大蒜主要功能活性成分前体蒜氨酸和甲基蒜氨酸粉末纯品的红外和拉曼谱。在3 200～2 800 cm-1和1 700～200 cm-1波段检测到显著的红外和拉曼吸收峰,其中蒜氨酸在3 080,1 617,1 582,1 496,1 418,1 342,1 301,919 cm-1处有8个较强的红外吸收峰,以及在3 088,1 636,1 404,1 290,1 051,790,745,693,588 cm-1处有9个较强的拉曼振动峰,可作为蒜氨酸的特征峰;甲基蒜氨酸在1 644,1 481,1 395,1 370,1 233,1 068,1 004,892 cm-1处有8个较强的红外吸收峰,以及在1 644,1 310,1 073,1 011,998,893,846,702,676 cm-1处有9个较强的拉曼振动峰,可作为甲基蒜氨酸的特征峰。蒜氨酸和同系物甲基蒜氨酸的红外及拉曼光谱具有明显差异,红外及拉曼光谱技术为蒜氨酸及其同系物的快速、 简便的分析提供了方法。     

Computation of the electric and magnetic fields induced in a plasmacreated by ionization lasting a finite interval of time

S.C. Wilks et al. (1988) showed that when an infinite expanse of gas, carrying a linearly polarized electromagnetic wave, is instantly ionized, the initial wave is frequency upshifted. This phenomenon of frequency upconversion through flash ionization gives rise to steady-state transmitted and reflected electromagnetic waves and to a time-independent magnetic field. The case in which the final state of ionization is achieved not instantly but in a finite turn-on time, 0⩽t⩽t 0, which is followed by the steady state, is studied. It is shown that the electric field is obtained from the one-dimensional Helmholtz equation, d²F(t)/dt² +ω₀²g(t)F( t)=0, if electrons are born at rest when they are created during ionization. As a result, the instantaneous frequency of the upshifted radiation is ω(t)=√g(t). The electric field can be solved exactly for specific choices of g(t). It is solved using WKB approximations for arbitrary g(t). The magnetic field is then found by integrating Faraday's law. It is found that the steady-state electric field amplitude depends on the steady-state value o f g(t) but does not depend on the ionization time t₀. Conversely, the static magnetic field amplitude decreases with increasing turn-on time