傅里叶变换红外光谱和近红外傅里叶变换拉曼光谱法无损鉴定中国字画

利用傅里叶变换红外(FTIR)和近红外傅里叶变换拉曼(NIR FT-Raman)光谱法鉴定了中国字画,结果表明：与荧光光谱法相比,根据谱峰的强度和位置可更容易地将真伪字画区别开来。拉曼光谱和红外光谱相互印证,互相补充,在鉴定中具有快速、准确、操作简单、重复性好、不需对样品进行预处理的优点,适于珍贵字画的无损鉴定。     

Preparation and Properties of Poly(ethylene terephthalate)/Silica Nanocomposites

A kind of poly(ethylene terephthalate) (PET)/Silica nanocomposite (PETS) was synthesized via in situ polymerization using the compatibility between silica nanoparticles and ethylene glycol (EG). Transmission electron microscopy (TEM) micrographs revealed that the silica nanoparticles were well dispersed in the PET matrix, the particle size was about 10 nm with narrow distribution, and there existed strong interaction between the particles and the polymer chains. Differential scanning calorimetry (DSC) results indicated that the thermal properties of PETS with 2 wt% silica (PETS‐2) are different from those of pure PET (PETS‐0). The properties of the as‐spun fibers show that the tenacity and LASE‐5 (load at a specified elongation of 5%) of PETS‐2 were higher than those of PETS‐0, while the heat shrinkage of PETS‐2 was lower than that of PETS‐0. We suggest that the increasing of crystallinity and the strong interface interaction of the nanocomposite caused the fibers of PETS‐2 to not only have higher tenacity and LASE‐5 but also to have lower heat shrinkage.     

Crystallization of Lightly Sulfonated Poly(ethylene terephthalate) Ionomer. I. Isothermal Crystallization from the Melt

Thermal properties and overall rates of isothermal crystallization from the melt of a commercial ionic copolyester (K‐X/SPET) based on poly(ethylene terephthalate) (PET) were analyzed in detail over a composition range from pure PET to a copolymer containing 10.1 mol% of potassium‐neutralized sulfonated PET. For measurements, differential scanning calorimetry (DSC) was used. Copolyesters with the ionic group content of 4.4 mol% or more were unable to crystallize. The isothermal melt crystallization of the copolyesters was analyzed using both the Avrami and the modified Lauritzen‐Hoffman equations. It was found that both the overall rate constant, as well as the Avrami parameter for the primary crystallization stage, varied with the sulfonated unit percentage—but surface free energy and work of folding were practically independent of them. The observed changes in the thermal properties and the kinetic parameters of crystallization were attributed to the comonomer effects and the intermolecular aggregation of the ionic groups.     

Isothermal Crystallization Kinetics and Melting Behavior of Poly(ethylene terephthalate)/Attapulgite Nanocomposites Studied by Step-scan DSC

The crystallization kinetics of poly(ethylene terephthalate)/attapulgite (AT) nanocomposites and their melting behaviors after isothermal crystallization from the melt were investigated by DSC and analyzed using the Avrami method. The isothermal crystallization kinetics showed that the addition of AT increased both the crystallization rate and the isothermal Avrami exponent of PET. Step-scan differential scanning calorimetry was used to study the influence of AT on the crystallization and subsequent melting behavior in conjunction with conventional DSC. The results revealed that PET and PET/AT nanocomposites experience multiple melting and secondary crystallization processes during heating. The melting behaviors of PET and PET/AT nanocomposites varied in accordance with the crystallization temperature and shifted to higher temperature with the increase of AT content and isothermal crystallization temperature. The main effect of AT nanoparticles on the crystallization of PET was to improve the perfection of PET crystals and weaken its recrystallization behavior.     

Toughening of Poly (Butylene Terephthalate) with Epoxy-Filled Poly (Ethylene–Octene) Copolymer

Toughened poly (butylene terephthalate) (PBT) with triglycidyl isocyanurate (TGIC)-filled poly (ethylene–octene) (POE) was prepared by melt reaction extrusion. For retarding the reaction extent between PBT and the epoxy component, the TGIC was first blended with POE to enwrap its reactive epoxy groups. Then, the TGIC-filled POE was used to melt blend with PBT. The Fourier transform infrared (FTIR) spectra showed that no other peaks appeared in the POE/TGIC specimens except for those originally existing in pure POE and TGIC. The rheological results further confirmed that no reaction occurred between the epoxy and the POE matrix. When the POE/TGIC was blended with PBT, a distinct increase of the viscosity suggested that the migration of the TGIC from POE to PBT during the melt processing induced chain extension reactions of PBT. The results obtained from DSC and DMA revealed that the chain extension of PBT induced by the reaction with TGIC restricted the mobility of PBT chains leading to a limitation of the recrystallization-remelting process and an increase of the glass transition temperature of PBT. The mechanical tests showed that the presence of TGIC in the POE phase distinctly improved the toughness of PBT. Compared to the case of a PBT/POE (80/20, wt%/wt%) blend, the elongation at break and impact strength of the system filled with 5 phr TGIC were increased more than three and six times, respectively.     

缺钙胁迫下花生植株的傅里叶红外光谱研究

钙(Ca)是植物必需营养元素之一,对植物的生长、发育与生理代谢等起着重要作用。缺钙会减少作物的产量,降低品质,因此影响经济价值。花生(Arachis hypogaea)是对缺钙很敏感的作物。试验选取LH11与YZ9102两个花生品种为供试作物,待花生幼苗长出第一片真叶以后,转移至营养液中,分别在三个钙处理(0,0.01和2.0mmol·L-1)下培养28d,随后取样分析花生幼苗生长情况与钙吸收,并利用傅里叶红外光谱(FTIR)检测花生苗期植株不同器官的特征吸收峰,研究缺钙胁迫下花生苗期植株体内的化学组分变化。试验结果表明:在0和0.01 mmol·L-1钙处理下,花生品种YZ9102并未出现缺钙症状,但是品种LH11缺钙症状明显:叶片变小、植株变矮、茎尖顶端生长点坏死,基部侧枝数增多。品种YZ9102植株体内与LH11相比较,有较高的钙浓度与钙积累量。0和0.01mmol·L-1的钙缺钙营养液培养下,品种LH11根系钙积累量在整个植株中所占比例较高,而品种YZ9102在叶中钙积累比例较高。与正常钙供应处理相比,缺钙胁迫下,品种LH11根、茎、叶FTIR谱在1 060,1 380,1 655,2 922和3 420cm-1波长附近透射率较高,表明缺钙胁迫下花生幼苗植株体内蛋白质、糖类和脂类等组分明显降低,但品种YZ9102受到缺钙胁迫影响较小。品种YZ9102比LH11更耐缺钙胁迫。     

Isothermal Crystallization and Subsequent Melting Behavior of Poly(ethylene terephthalate)/Silica Nanocomposites

The crystallization process of poly(ethylene terephthalate)/silica nanocomposites were investigated by differential scanning calorimetry (DSC) and then analyzed using the Avrami method. The results indicated that the crystallization of pure poly(ethylene terephthalate) (PET) was fitted for thermal nucleation and three‐dimensional spherical growth throughout the whole process, whereas the crystallization of PET/silica nanocomposites exhibits two stages. The first stage corresponds to athermal nucleation and three‐dimensional spherical growth, and the second stage corresponds to recrystallization caused by the earlier spherulites impingement. The crystallization rate increases remarkably and the activation energies decrease considerably when silica nanoparticles are added. The subsequent melting behavior of the crystallized samples shows that the melting point (T _m) of nanocomposites is higher than that of pure PET, which might be caused by two factors: (1) The higher melting point might be due to some hindrance to the PET chains caused by the nanoparticles at the beginning of the melting process; (2) it might also be the case that more perfect crystals can be formed due to the higher crystallization temperatures and lower activation energies of PET/silica nanocomposites.     

彝药金沙青叶胆的傅里叶变换红外光谱研究

金沙青叶胆是常用彝药之一,具有独特而显著的药用价值。本文采用傅里叶变换红外光谱方法(FTIR)对金沙青叶胆的根、茎、花不同部位进行了分析研究。研究表明,其根、茎、花的红外光谱有较大的相似性,主要吸收峰位置基本相同,它们共同显示出该药材独特的红外指纹特征,三者所含主要物质成分基本相同,由此说明在彝医临床应用中将该药全草入药具有其合理性,但其根、茎、花的红外光谱的吸收峰位置、个数、强度、峰形又有一些差异,表明其不同部位所含的化学成分及其相对含量存在一定的差异。本文的分析研究为临床应用及开发利用该彝药提供了科学依据。     

农作物锈病叶傅里叶变换红外光谱检测方法研究

在农作物生产中,不合理使用化学农药来防治植物病害的现象普遍存在,严重影响产品品质及食用安全,快速鉴别植物病害并采取合理的防治措施对提高农作物品质具有重要意义。利用红外光谱三级鉴别法（傅里叶变换红外光谱（FTIR）、二阶导数红外光谱（SD-IR）及二维相关红外光谱（2D-IR））对蚕豆、玉米、葱和蒜正常叶、锈病叶病斑处及病斑附近绿色部位进行了研究。结果显示,正常叶、病斑附近绿色部位及锈病叶病斑处的光谱吸收峰强度和形状存在微小差异。原始光谱中正常叶、病斑附近绿色部位及锈病叶病斑处的几个吸收强度比存在差异,蚕豆的正常叶、病斑附近绿色部位及锈病叶病斑处的吸收强度比A_{1 410}/A_{1 646}分别为0.698,0.624和0.616,A_{2 926}/A_{1 646}相应比值分别为0.665,0.638和0.552;玉米的相应比值A_{1 649}/A_{1 055}分别为0.813,0.696,0.691,A_{1 382}/A_{1 055}相应比值分别为0.552,0.478和0.465,A_{2 926}/A_{1 055}相应比值分别为0.574,0.467和0.469;葱的相应比值A_{1 382}/A_{1 061}分别为0.843,0.821和0.704,A_{2 923}/A_{1 061}相应比值分别为0.707,0.680和0.489;以上锈病叶病斑处及病斑附近绿色部位的几个峰强比均比正常叶小。二阶导数红外光谱在1 800～800 cm-1范围内,正常叶、病斑附近绿色部位及锈病叶病斑处的吸收峰的形状及强度显示明显差异。二维相关红外光谱显示,正常叶、锈病叶病斑处及病斑附近绿色部位在860～1 690 cm-1范围内自动峰和交叉峰的位置、数目及强度存在显著差异。蚕豆正常叶出现4个强自动峰,2组强的正交叉峰;病斑附近绿色部位出现5个强自动峰,4组强正交叉峰;锈病叶病斑处出现2个最强自动峰和5个中强自动峰,5组强正交叉峰;蚕豆锈病叶病斑处自动峰强度最强,而正常叶的各个自动峰的强度最低。玉米正常叶出现9个强自动峰,12组强的正交叉峰;病斑附近绿色部位出现11个强自动峰,3组最强的正交叉峰和11组中强正交叉峰;锈病叶病斑处出现6个强自动峰,3组强正交叉峰;蒜正常叶出现9个强自动峰,8组强的正交叉峰;病斑附近绿色部位出现2个最强自动峰和9个次强自动峰,10组强正交叉峰;锈病叶病斑处出现6个强自动峰,1组强正交叉峰;玉米和蒜病斑附近绿色部位的各个自动峰的强度最强,而锈病叶病斑处自动峰和交叉峰强度最弱。葱正常叶出现9个强自动峰,5组强的正交叉峰;病斑附近绿色部位出现8个强自动峰,3组强正交叉峰;锈病叶病斑处出现3个强自动峰,无正交叉峰出现。葱正常叶的各个自动峰的强度最强,而锈病叶病斑处自动峰强度最弱。结果表明,利用傅里叶变换红外光谱结合二阶导数红外光谱及二维相关红外光谱能简单、快速地鉴别研究农作物锈病叶,有望为农作物病害提供一种光谱检测方法。     

Nonisothermal Crystallization of Recycled Poly(Ethylene Terephthalate)/Poly(Ethylene Octene) Blends

Recycled poly(ethylene terephthalate) (r-PET) was blended with poly(ethylene octene) (POE) and glycidyl methacrylate grafted poly(ethylene octene) (mPOE). The nonisothermal crystallization behavior of r-PET, r-PET/POE, and r-PET/mPOE blends was investigated using differential scanning calorimetry (DSC). The crystallization peak temperatures (T _p ) of the r-PET/POE and r-PET/mPOE blends were higher than that of r-PET at various cooling rates. Furthermore, the half-time for crystallization (t _1/2 ) decreased in the r-PET/POE and r-PET/mPOE blends, implying the nucleating role of POE and mPOE. The mPOE had lower nucleation activity than POE because the in situ formed copolymer PET-g-POE in the PET/mPOE blend restricted the movement of PET chains. Non-isothermal crystallization kinetics analysis was carried out based on the modified Avrami equation, the Ozawa equation, and the Mo method. It was found that the Mo method provided a better fit for the experimental data for all samples. The effective energy barriers for nonisothermal crystallization of r-PET and its blends were determined by the Kissinger method.     

黑米花色苷酰化修饰红外光谱分析

黑米花色苷易受外部环境影响发生降解致使局部分子结构破坏而使营养价值和保健功能有所下降。利用有机酸提供酰基对黑米花色苷进行修饰来提高花色苷结构的稳定性。利用红外光谱分析经咖啡酸酰化修饰黑米花色苷的结构变化。结果表明：黑米花色苷酰化修饰前后于官能团区3 650~3 200和1 680~1 620 cm-1处均有吸收峰,且其于指纹区1 282.68和1 277.51 cm-1处出现酚羟基吸收峰,于1 056.07和1 054.03 cm-1处出现醇羟基吸收峰,719.90和719.71 cm-1处出现苯环上C-H面外弯曲振动吸收峰。由此可见,黑米花色苷酰化修饰后主要结构框架仍为花色苷的芳环结构。此外,黑米花色苷酰化修饰前后于1 900~1 650 cm-1间1 714.28和1 728.13 cm-1处均出现共轭羰基的特征吸收峰,对应于可直接连接在苯环上的α-羰基结构,由此说明黑米花色苷结构中存在着酰基基团。黑米花色苷经酰化修饰后红外图谱于1 517.20 cm-1处出现新吸收峰,其正好处于1 800~900 cm-1双键(不含氢)伸缩振动区,指纹区876.65 cm-1处亦出现了苯环上的C-H面外弯曲振动吸收峰。与之相呼应在经二阶导数处理后红外光谱图中在2 500～2 000 cm-1间出现了新的波动,此波段为累积双键伸缩振动区,而官能团区3 650~3 200 cm-1间3 370.20 cm-1处的吸收峰正好处于多分子缔合区。由此可见,在咖啡酸作为酰基供体,酰化修饰黑米花色苷时由于分子间的重新缔合于结构中引入了新的酰基基团而呈现出一种双酰化的空间结构。黑米花色苷酰化结构中有机酸与糖链相连,将有机酸置于2-苯基苯并吡喃骨架的表面,这种堆积作用模式可以较好地抵抗水的亲核攻击和其他降解反应进而提高黑米花色苷结构的稳定性。     

傅里叶变换红外光谱学显微成像技术在骨病研究中的应用和进展

傅里叶变换红外光谱学显微成像系统的发展历程、系统构成、成像原理和模式选择,引出傅里叶变换红外光谱学显微成像在生物医学领域开辟了骨病光谱成像这一特定研究方向,详细论述了该技术用于研究骨石化病、成骨不全症、骨质疏松症和骨软化症等骨病所取得的成果和进展,简单介绍了该技术的相关局限性,并展望了其在生物医学研究领域的发展前景。     

Toughened Poly(Trimethylene Terephthalate) by Blending with a Functionalized Metallocenic Poly(Ethylene-Octene) Copolymer

New toughened poly(trimethylene terephthalate) (PTT) materials were obtained by melt blending with maleic anhydride grafted poly(ethylene-octene) (POEg). Rheological properties, mechanical properties, and morphological characteristics of PTT/POEg blends at four different compositions—95/5, 90/10, 80/20, and 70/30—were studied. The melt viscosity of the blends shows a linear decrease on increasing the POEg content. The addition of rubbery POEg to the PTT matrix increases the impact strength, while tensile properties decrease. Scanning electron microscopy (SEM) displayed a very good dispersion of POEg particles in the PTT matrix. Differential scanning colorimetry (DSC) experiments showed that for all samples the melting point was almost constant and the crystallinity did not show obvious differences. SEM results showed shear yielding of the PTT matrix was the major toughening mechanism.     

Rheological,thermal, and mechanical properties of poly(ethylene naphthalate)/poly(ethylene terephthalate) blends

Structural, Theological, thermal, and mechanical properties of blends of poly(ethylene naphthalate) (PEN) and poly(ethylene terephthalate) (PET) obtained by melt blending were investigated using capillary rheometry, differential scanning calorimetry (DSC), scanning electron microscopic (SEM) observation, tensile testing. X-ray diffraction, and ¹H nuclear magnetic resonance (NMR) measurements. The melt Theological behavior of the PEN/PET blends was very similar to that of the two parent polymers. The melt viscosity of the blends was between that of PEN and that of PET. Thermal properties and NMR measurement of the blends revealed that PEN is partially miscible with PET in the as molded blends, indicating that an interchange reaction occurs to some extent on melt processing. The blend of 50/50 PEN/PET was more difficult to crystallize compared with blends of other PEN/PET ratios. The blends, once melted during DSC measurements, almost never showed cold crystallization and subsequent melting and definitely exhibited a single glass transition temperature between those of PEN and PET during a reheating run. Improvement of the miscibility between PEN and PET with melting is mostly due to an increase in transesterification. The tensile modulus of the PEN/PET blend strands had a low value, reflecting amorphous structures of the blends, while tensile strength at the yield point increased linearly with increasing PEN content.     

人胸膜间皮瘤与结核型胸膜炎的傅里叶红外光谱分析

研究以上皮型胸膜间皮瘤,纤维型胸膜间皮瘤,结核型胸膜炎与正常胸膜组织为材料, 通过傅里叶变换红外光谱分析组织中生物大分子的结构及含量的改变。研究发现,四种胸膜组织的傅里叶红外光谱较为相似,但存在明显区别,四种胸膜组织红外光谱数据方差差异极显著(sig.<0.001), 说明胸膜间皮瘤中生物大分子的含量及结构发生了明显变化,主要包括: (1)胸膜间皮瘤蛋白质酰胺Ⅰ带及酰胺Ⅱ带,核酸1 232 cm-1峰强,脂类物质2 922 cm-1峰强均显著高于正常人胸膜组织,与正常胸膜组织存在显著区别;纤维型胸膜间皮瘤中,蛋白质酰胺Ⅰ带及酰胺Ⅱ带峰强,与核酸密切相关的1 078 cm-1峰强,以及与脂类物质相关的2 922和2 854 cm-1峰强均显著高于上皮型胸膜间皮瘤(p<0.05);结核型胸膜炎蛋白质酰胺Ⅰ带及酰胺Ⅱ、核酸1 232和1 078 cm-1峰强略有增加,但与正常胸膜组织差异不显著(p>0.05),与脂类物质含量有关2 922 cm-1峰强、2 854 cm-1峰强,极显著地高于正常胸膜组织(p<0.01),显著高于胸膜间皮瘤(p<0.05)。(2)蛋白质、核酸、脂类物质的相对峰强I_{1 641}/I_{2 922}, I_{1 641}/I_{1 232}, I_{1 232}/I_{1 078}, I_{1 078}/I_{1 546}, I_{1 078}/I_{2 854}, I_{2 922}/I_{1 232}, I_{1 458}/I_{1 400}能有效放大四类胸膜组织间的差异,其效果优于峰强效果,可作为胸膜间皮瘤诊断的优化指标。(3)上皮型胸膜间皮瘤中指示核酸分子中磷酸二酯键的C-C/C-O的1 078 cm-1峰强以及指示脂类物质的2 854 cm-1峰强显著低于纤维型胸膜间皮瘤和正常胸膜组织(p<0.05),表明上皮型胸膜间皮瘤中磷酸二酯键断裂程度较高,DNA受损严重,膜脂过氧化降解明显。说明上皮型胸膜间皮瘤恶化程度高于纤维型胸膜间皮瘤。(4)胸膜间皮瘤蛋白质酰胺Ⅰ带、Ⅱ带谱带、核酸1 232 cm-1峰、脂类物质1 458 cm-1处CH₂振动及1 400 cm-1处CH₃振动红移,说明蛋白质分子间的氢键受到破坏,核酸分子的氢键结合力减弱,核酸分子的双链结构受到一定程度的破坏,肿瘤组织中膜脂的亚甲基链趋向无序。(5)傅里叶红外光谱能有效区分纤维型胸膜间皮瘤、上皮型胸膜间皮瘤、结核型胸膜炎、正常胸膜组织,为胸膜间皮瘤与结核型胸膜炎的早期、快速诊断提供了可靠的数据。     

Identification of Plant-Pathogenic Fungi Using Fourier Transform Infrared Spectroscopy Combined with Chemometric Analyses

Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed. The present investigation aimed to create a simple but sophisticated method for the identification of plant-pathogenic fungi by Fourier transform infrared (FTIR) spectroscopy. In this study, FTIR-attenuated total reflectance (ATR) spectroscopy was used in combination with chemometric analysis for identification of important pathogenic fungi of horticultural plants. Mixtures of mycelia and spores from 27 fungal strains belonging to nine different families were collected from liquid PD or solid PDA media cultures and subjected to FTIR-ATR spectroscopy measurements. The FTIR-ATR spectra ranging from 4 000 to 400 cm-1 were obtained. To classify the FTIR-ATR spectra, cluster analysis was compared with canonical vitiate analysis (CVA) in the spectral regions of 3 050～2 800 and 1 800～900 cm-1. Results showed that the identification accuracies achieved 97.53% and 99.18% for the cluster analysis and CVA analysis, respectively, demonstrating the high potential of this technique for fungal strain identification.     

High-Pressure Analysis of the Multiple Melting Endotherms of Poly(ethylene succinate) and Poly(butylene succinate)

The origin of the multiple melting peaks in two linear polyesters, poly(ethylene succinate) (PES) and poly(butylene succinate) (PBS), of isothermally crystallized samples was investigated by differential scanning calorimetry (DSC) at atmospheric pressure and high-pressure differential thermal analysis (HP-DTA) at elevated pressures. In PES, the DSC melting curves showed three endothermic peaks at slow heating rates, which decreased to two with increasing heating rates. The HP-DTA curves showed that the area (qualitative) and peak height of the high-temperature peak decreased with increasing pressure and merged with the low-temperature peak at pressures above 450 MPa. This behavior supported the melting, recrystallization, and remelting model for the observed multiple melting endotherms. In PBS, the DSC melting curves were similar to those seen in PES. The HP-DTA curves were also similar to PES up to 400 MPa, but above this pressure the area and the peak height of the high-temperature peak and the temperature difference between the high- and low-temperature peaks remained unchanged. This observation suggested that the two peaks in PBS were due to the melting of two populations of crystals with different lamellar thickness originally present in the sample. The multiple melting behavior in isothermally crystallized PBS is proposed to incorporate both the melting of two populations of crystals and melting, recrystallization, and remelting.     

Proton induced modification in Poly(ethylene terephthalate)

A systematic investigation of 62 r MeV proton irradiated Poly(ethylene terephthalate) (PET) has been carried out using Fourier Transformed Infrared Spectroscopy, thermogravimetric analysis, differential scanning calorimetry and X-ray diffraction spectroscopy. The experiments revealed a restoration of the crystalline matrix and simultaneous decrease in thermal stability in the irradiated polymer as a function of dose, indicating that PET underwent both degradation and cross-linking by proton irradiation.     

团状雪灵芝三种提取工艺的红外光谱跟踪分析

为了建立一种基于红外光谱跟踪分析的过程分析方法用于团状雪灵芝(AP)提取分离过程的宏观指导,从同一工艺不同提取物及不同工艺同一提取物两个方面,对三种提取工艺各四种提取物进行红外光谱跟踪测试,并对红外光谱及相应二阶导数谱进行了深入的对比分析研究。光谱分析结果显示,同一工艺的不同提取物具有明显不同的光谱吸收特征;不同工艺同一提取物的吸收特征总体相似,但彼此之间也存在明显的光谱差异。1 603和1 123cm-1的特征峰表明,提取法一中,黄酮类及其糖苷主要进入了酯提物,余者进入了醇提物。相反,方法二、三中,大部分黄酮类进入了醇提物,水提物中还存在微量黄酮苷。此外,根据2 850cm-1峰强可知,方法二酯提物中苷元及高级饱和烃基含量较高。类似的,1 066和2 927cm-1等特征吸收峰表明方法三的醇提物中糖苷及多糖含量较高。研究结果表明,AP组分在不同提取工艺中的迁移规律不尽相同,提取过程中的物质迁移信息可以通过各提取物红外光谱的跟踪分析进行记录和直观解析。红外光谱跟踪分析法是一种快速、有效、低碳、环保的过程分析方法,对于诸如AP等植物提取分离过程的质量控制或工艺优化具有宏观指导意义。     

当归及不同炮制品多糖傅里叶变换红外光谱识别

建立了一种傅里叶变换红外光谱(Fourier transform infrared spectroscopy,FTIR)快速无损鉴别当归及其不同炮制品多糖的新方法。生当归(unprocessed Angelica sinensis,UAS)经炮制为酒当归(angelica sinensis parched with wine,WAS)、土当归(angelica sinensis parched with soil,SAS)、油当归(angelica sinensis parched with oil,OAS)和当归炭(charred angelica sinensis,CAS),为了有效、合理地使用当归及其不同炮制品多糖,对其进行鉴别分析很有必要。首先获取当归及其不同炮制品多糖的FTIR,运用离散小波变换方法(discrete Wavelet transform,DWT)对其进行分解,然后选取2,3,4尺度下的高频信息作为特征信息,分别提取其小波熵作为特征值,采用BP神经网络进行训练,再用训练所得模型对当归及其不同炮制品多糖的FTIR小波提取出的特征值进行智能判别。通过对30个样本进行预测,判别率高达93.3%,说明基于FTIR离散小波特征提取及BP神经网络分类法识别当归及其不同炮制品多糖,具有较优的可行性。