Structures of Silk Fibers Grafted with Hexafluorobutyl Methacrylate

The relationship between the graft yield and the effect of hexafiuorobutyl methacrylate graft treatment on the structural changes of the silk fibers was studied on the basis of the results of scanning electron micrograph photographs （SEM）, infrared spectroscopy （IR）, Raman spectrum, wide-angle X-ray diffraction patterns （WAXD）, nuclear magnetic resonance（NMR） and amion acid analysis. The results showed that the crystalline regions of grafted fibers were hardly affected and the fiber fission occurred on the cross sections of grafted fibers. The surface of fibers was covered with a high polymer film. The Raman spectrum showed there was little change in the conformation of grafted fibers which mainly remained β-sheet conformation. The IR of the grafted silk fibers showed new absorption of bands occurred which belonged to the stretching-vibrationabsorption-peak bands of Vo-o and VC-F of aliphatic ester species. The CF3-, -CF2- and -CFH- grafted silk macromodecul were verified in the NMR spectrum. The amion acid analysis indicated fluoride monomers were inclined to graft with TYR, ARG and CLU silk fibers.     

水溶液中的环状DNA超螺旋空间构象

质粒DNA水溶液的喇曼光谱研究表明,854和1-083-cm-1特征峰反映了DNA主链骨架三级结构的振动状态;表征脱氧核糖中C-C伸缩振动的969-cm-1峰,其相对强度值介于线性DNA在水溶液和在纤维状态下所得数值之间(0.46＜0.83＜1.10);DNA中胸腺嘧啶的堆积反应活性增加,A-T间氢键能减弱.这些参数是辨认环状DNA分子三级结构的有效依据.     

大豆球蛋白的红外和Raman光谱分析

利用Fourier变换红外光谱(FTIR)和激光Raman光谱研究大豆球蛋白的结构, 并对大豆球蛋白的红外光谱和Raman光谱的特征峰进行指认, 计算Raman费米共振\%I\%850/830的比值. 结果表明: 红外光谱和Raman光谱的酰胺Ⅰ带去卷积和曲线拟合获得二级结构, 其中β 折叠结果差异较小, α 螺旋、 β 转角和
无规卷曲结果差异较大（p<0.05）; 红外光谱在1 618,1 682 cm^-1处的吸收峰归属于大豆球蛋白的分子间和分子内聚集, 拟合峰面积百分数分别为11.1%和9.5%; 包埋和外露的酪氨酸残基占酪氨酸残基总量的14%和86%.     

傅里叶变换红外光声光谱法在纺织上应用

本文叙述了傅里叶变换红外光声光谱法(FTIR-PAS)的基本原理及其在纺织上应用。研究了组合浆料中变性聚乙烯醇的定量测定、涤棉混纺纤维中涤纶的定量测定、苎麻及甲壳素经碱处理后的光谱性质的变化。研究结果表明,以变性聚乙烯醇C=O基团的伸缩振动1570cm~(-1)吸收峰可作为定量测定变性聚乙烯醇的依据。以涤纶分子结构中羰基伸缩振动1725cm~(-1)峰高与纤维分子结构中碳氢键伸缩振动2915cm~(-1)峰高的比值,可定量测定涤棉混纺纤维中涤纶含量。苎麻经碱处理后,非晶谱带898cm~(-1)度明显增加,晶区谱带1430cm~(-1)强度明显下降,其变化程度取决于碱浓度。甲壳素的酰胺吸收峰1555cm~(-1)随碱处理浓度、温度和时间的增加而下降。与常规的红外吸收光谱法相比较,傅里叶变换红外光声光谱法具有无损快速的优点,适宜于制作困难的试样。     

羊毛拉伸细化及其效果

分析了有捻毛条拉伸过程中拉伸载荷的变化规律和纤维直径的变化，通过烘燥和沸水收缩率的测量，探讨了细化羊毛的定形效果，并借助扫描电镜照片，分析了细化羊毛的形态变化及其原因。     

Raman and FTIR spectroscopy of natural oxalates： Implications for the evidence of life on Mars

Evidence for the existence of primitive life forms such as lichens and fungi can be based upon the formarion of oxalates. Oxalates are most readily detected using Raman spectroscopy. A comparative study of a suite of natural oxalates including weddellite, whewellite, moolooite,humboldtine, glushinskite, natroxalate and oxammite has been undertaken using Raman spectroscopy. The minerals are characterised by the Raman position of the CO stretching vibration which is cation sensitive. The band is observed at 1468 cm^-1 for weddellite, 1489 cm^-1 for moolooite, 1471cm^-1 for glushinskite and 1456 cm^-1 for natroxalate. Except for oxammite, the infrared and Raman spectra are mutually exclusive indicating the minerals are bidentate. Differences are also observed in the water OH stretching bands of the minerals. The significance of this work rests with the ability of Raman spectroscopy to identify oxalates which often occur as a film on a host rock. As such Raman spectroscopy has the potential to identify the existence or pre-existence of life forms on planets such as Mars.     

硫酸盐体系中阳离子对水分子氢键破坏效应

利用拉曼光谱对室温下Na2SO4-H2O、MgSO4-H2O、ZnSO4-H2O、Fe2(SO4)3-H2O体系中水分子的O-H伸缩振动情况开展研究。首先,通过对频谱中2 800~4 000 cm^-1区间,特别是3 400 cm^-1附近主峰拉曼位移的移动幅度和3 200 cm^-1附近肩峰强弱的考察,研究了拉曼光谱中不同阳离子浓度和类型对水分子中O-H伸缩振动的影响规律。其次,借助高斯拟合分峰的方法考察了各阳离子对水分子不同氢键结构类型的破坏效应。最后,系统分析了配合物的生成和阳离子破坏效应的共同作用。结果表明：不同阳离子的硫酸盐溶液对水分子氢键的破坏能力规律为：Na2SO4> Fe2(SO4)3> MgSO4> ZnSO4。     

Application of Raman spectroscopy in carbon nanotube-based polymer composites

Raman spectroscopy has been widely used to identify the physical properties of carbon nanotubes (CNTs), and to assess their func-tionalization as well as orientation. Recently, Raman spectroscopy has become a powerful tool to characterize the interfacial properties between CNTs and polymer matrices. This review provides an overview of micro-Raman spectroscopy of CNTs and its application in studying CNT reinforced polymer composites. Based on the specific Raman band shifts relating to the mechanical deformation of CNTs, Raman scattering can be used to evaluate the interactions between the CNTs and the surrounding polymer in the composites, and to detect the phase transitions of the polymer, and investigate the local stress state as well as the Young’s modulus of the CNTs. Moreover, we also review the current progress of Raman spectroscopy in various CNT macroarchitectures (such as films, fibers as well as composite fibers). The microscale structural deformation of CNT macroarchitectures and strain transfer factors from macroscale architectures to microscale structures are inferred. Based on an in situ Raman-tensile test, we further predict the Young’s modulus of the CNT macroarchitectures and reveal the dominating factors affecting the mechanical performances of the CNT macroarchitectures     

石墨化过程中元素铁对PAN基碳纤维成分及结构的影响

运用EA、Raman和XRD等方法分别研究了PAN基碳纤维石墨化过程中非结构型成分铁对碳纤维中C、N、H等结构型成分、化学结构和聚集态结构的影响,探讨了碳纤维成分变化与结构演变的关联关系。研究表明,元素铁对碳纤维中N元素的逸出具有较强的催化作用,碳纤维中C元素含量由于N元素被催化脱除而提高的更快;元素铁催化脱氮减少了碳纤维结构重排中的能耗,从而有利于碳纤维中的乱层结构碳向石墨结构碳的转变;同时,元素铁促进石墨片层基面宽度（L_a）增长;由于N元素沿纤维径向地逸出,元素铁催化脱氮产生的气胀作用力阻碍石墨片层的堆叠,因此铁对石墨片层层间距（d₀₀₂）几无影响,层间距的发展主要体现温度效应。     

羊毛拉伸细化技术综述

阐述了国内外羊毛细化技术的发展过程，并详细介绍了拉伸细化的机理及各种工艺流程，同时列表说明改性后纤维，纱线及织物性质的变化。     

DNA主链构象与脱氧鸟苷组分构象相关性的喇曼分析

对小牛胸腺ＤＮＡ纤维样品溶解３ｈ内的空间构象变化过程进行了喇曼光谱分析，结果显示了表征脱氧鸟苷糖环折迭不同类型的６７２ｃｍ＾－１与６８３ｃｍ＾－１峰的同时存在，与ＤＮＡ分子主链不同特征峰的同时出现之间有着明显的联系。     

Structural phase transition, optical and pyroelectric properties of lead-free single crystals

0.14 at% Mn-doped 0.95(Na_1/2Bi_1/2)TiO₃-0.05BaTiO₃ (0.95NBT-0.05BT) lead-free single crystals were grown by a top-seeded solution growth method (TSSG). X-ray powder diffraction measurement showed that the as-grown single crystals exhibit rhombohedral perovskite structure with apparent distortion. With the increase of temperature, successive structural phase transitions occur in the Mn-doped 0.95NBT-0.05BT single crystals. After poling, apparent dielectric anomaly is induced accompanied by the increase of the character of diffuse phase transition and the decrease of the value of dielectric constant. The Mn-doped 0.95NBT-0.05BT single crystals exhibit complex domain structure, in which micro and macro domains coexist with statistically 4 mm symmetry. The Mn-doped 0.95NBT-0.05BT lead-free single crystals exhibit excellent piezoelectric and pyroelectric properties, which will lead to promising advance in piezoelectric and pyroelectric applications. The infrared-absorption band occurred around 630.6 cm^?1 can be assigned to the “stretching” normal vibration of [Na_1/2Bi_1/2]/Ti-O group. The three diffused Raman bands centered around 300, 560 and 800 cm^?1 can be attributed to F2g [TiO₆] bending vibration, A1g [TiO₆] stretching vibration and “soft mode” mixed by bending and stretching vibrations.     

Raman OH stretching vibration of ice Ih

From our recent research on ice I_h (hexagonal ice), we deduce that free OH groups exist at the ice surface and that dangling OH influences the interior of the proton-disordered ice. Additionally, exploiting recent research by others on water molecular clusters, we propose a new interpretation for the Raman OH stretching vibration of ice I_h. We deconvolute the Raman OH stretching vibration of ice I_h into four sub-bands, with each sub-band being ascribed to OH vibrations engaged in different types of hydrogen bonding.     

Temperature-induced dissociation reaction and dynamics of light-harvesting complex Ⅱ isolated from purple photosynthetic bacterium Rps. palustris

Steady-state absorption spectroscopy, circular dichroism, and resonance Raman spectroscopy have been used to investigate the thermal stability of LH2 complex isolated from purple photosynthetic bacterium Rps. palustris. The results show that： 1） upon increasing the temperature, a transition from B800 and B850 to free bacteriochlorophyll （B780） happens; 2） a gradual decrease and disappearance of CD signal in visible region occur; 3） a shift of the frequency, belonging to C=C and C-C stretching vibration, to higher wavenumber takes place. It is suggested that LH2 complex can be dissociated in the presence of B800, B850 and carotenoids simultaneously. Single-exponential fitting on the dynamic decay curves gives the apparent time constants of hundreds of minutes for various pigments.     

吴茱萸次碱结构和振动光谱的密度泛函理论研究

采用密度泛函理论B3LYP和B3PW91方法对吴茱萸次碱的几何结构进行了全优化,得到吴茱萸次碱的平衡几何结构参数,结果表明,吴茱萸次碱是一个平面结构的分子.在相同水平上计算了吴茱萸次碱的红外和拉曼振动光谱,依据计算结果,对吴茱萸次碱分子的振动基频进行了理论指认和归属.在红外光谱中,所有振动模式均具有红外活性,最强的振动频率为1 729 cm-1,摩尔吸光系数为1 461 L/(mol·cm),归属于C21O22的伸缩振动.在拉曼光谱中,吴茱萸次碱的所有振动模式也表现出了拉曼活性,最强的吸收峰频率为1 630 cm-1,吸收强度为170.8km/mol,由C21O22键的伸缩振动吸收所贡献.该研究结果可为进一步探讨吴茱萸次碱的结构和生物活性关系提供理论参考.     

羊毛束细化拉伸的参数优化与效果表征

采用自制细化装置和测量单元对羊毛毛条进行拉伸细化，结合正交试验得出优化的预浸、拉伸、定形的工艺条件。基于本优化工艺条件所得的细化毛条和澳洲的“Optim^TM羊毛”进行了纤维特征和改性效果的综合对比分析。试验结果证明：细化拉伸处理后，羊毛细度、长度、光泽明显改善，但纤维伸长率变小，长度离散度变大，这对纺织加工提出了新的要求。     

AOT油包水微乳液中水分子结构和AOT分子构象的FT-IR研究

运用傅立叶变换红外光谱技术对AOT/异辛烷/水油包水型微乳液中水分子的O-H伸缩振动吸收峰和AOT分子中的羰基、磺酸根伸缩振动吸收峰进行了研究.结果表明水分子的O-H伸缩振动在3050～3750cm     

Raman OH stretching vibration of ice Ⅰh

From our recent research on ice Ⅰ_h (hexagonal ice), we deduce that free OH groups exist at the ice surface and that dangling OH influ-ences the interior of the proton-disordered ice. Additionally, exploiting recent research by others on water molecular clusters, we propose a new interpretation for the Raman OH stretching vibration of ice Ⅰ_h. We deconvolute the Raman OH stretching vibration of ice Ⅰ_h into four sub-bands, with each sub-band being ascribed to OH vibrations engaged in different types of hydrogen bonding.     

尿嘧啶的相干反斯托克斯Raman散射光谱研究

采用相干反斯托克斯Raman散射(CARS)技术研究在不同pH值的水溶液中核糖核酸碱基-尿嘧啶结构,所得结果揭示出尿嘧啶环的伸缩,变形振动可在1000cm~(-1)附近产生一些Raman谱线,并发现这些谱线对溶液的pH值很敏感。然而这些现象在采用目前广泛应用的激光共振Raman光谱方法时是难以发现的。因此,CARS测量是一种可研究核酸残基振动结构及其和环境介质相互作用的有效方法。除它对样品或杂质引起的荧光干扰有明显抑制作用外,可以预期:这一方法也可用于获得在有关分子过程中所出现的瞬态粒子结构的信息。     

水热合成铝掺杂羟基磷灰石分析

为探索铝掺杂羟基磷灰石(Al-HA)的结晶特点,以硝酸钙、硝酸铝和磷酸二氢铵反应所获沉淀为前驱物,以水为介质在不同的Al掺杂量下进行了水热合成实验。利用X射线衍射(XRD)和拉曼光谱(Raman)对所得样品进行表征。结果表明,水热反应能获得Al-HA纳米晶,Al掺杂量的增大会抑制羟基磷灰石(HA)晶粒度长大,当掺量超过10时HA会向非结晶态转化。随着Al掺杂量的提高,HA的拉曼光谱的振动峰431 cm-1、591 cm-1、961 cm-1、1 046 cm-1先逐渐减弱,HA的结晶度下降。最后431 cm-1、591 cm-1、1 046 cm-1处振动峰消失,并在1 111.5 cm-1处出现新的振动峰,说明掺铝量宜在于5以下。