多波长数据线性组合分光光度法及其应用

基于吸光度联立方程组并选择一组合适的系数进行线性组合,提出了多波长吸光度数据线性组合分光光度法,得到的吸光度与被分析物浓度成正比,而与另一干扰物无关,从而消除干扰,本法能改善选择性与准确度,并具有测量波长较多与计算简便等特点,可用于两组分的单一或同时测定,已用于盐酸氯丙嗪与盐酸异丙嗪复方药物、雷琐辛复方涂剂等分析。     

多波长存储材料的合成与存储实验研究

报道了用有机光致变色的二芳基乙烯化合物作为多波长光存储记录材料的合成、膜片制作和多波长存储实验。结果显示,分别用1,2-双(2,5-二甲基噻吩-3-基)全氟环戊烯、1,2-双(2-甲基-5-醛基噻吩-3-基)全氟环戊烯和1,2-双(2-甲基-5-(2,2-二氰基乙烯基)噻吩-3-基)全氟环戊烯作为多波长光存储的记录材料,采用旋涂法(spin-coating)制成存储膜片,对应的读写激光器的波长分别532、650和780nm,实现了三波长光存储的信息记录和读出。     

Multi-wavelength HPLC fingerprints from complex substances: An exploratory chemometrics study of the Cassia seed example

Multi-wavelength fingerprints of Cassia seed, a traditional Chinese medicine (TCM), were collected by high-performance liquid chromatography (HPLC) at two wavelengths with the use of diode array detection. The two data sets of chromatograms were combined by the data fusion-based method. This data set of fingerprints was compared separately with the two data sets collected at each of the two wavelengths. It was demonstrated with the use of principal component analysis (PCA), that multi-wavelength fingerprints provided a much improved representation of the differences in the samples. Thereafter, the multi-wavelength fingerprint data set was submitted for classification to a suite of chemometrics methods viz. fuzzy clustering (FC), SIMCA and the rank ordering MCDM PROMETHEE and GAIA. Each method highlighted different properties of the data matrix according to the fingerprints from different types of Cassia seeds. In general, the PROMETHEE and GAIA MCDM methods provided the most comprehensive information for matching and discrimination of the fingerprints, and appeared to be best suited for quality assurance purposes for these and similar types of sample.     

Development of Multi-Wavelength Spectral-Correction Method

Beta-correction theory has been applied extensively for the analysis of metal complex solution1-3. Recently, we found that the beta-correction principle was very useful to the determination of metal complex's properties, for example the stepwise real absorptivity (() and stability constant (Km). The new equations were established as follows: and where Ac=((A-((A')/(1-((). The term, Ac indicated the real absorbance of complex ML( ((, ( and ( were all constants), Cligand and CM were the mola…     

Multi-wavelength HPLC fingerprint similarity metric for cold-hot nature identification of Chinese herbal medicines

Cold-hot nature theory is the core basic theory of the nature of Chinese herbal medicines (CHMs). It is found that the material basis of cold-hot nature is CHM ingredients. In view of this, our group proposed a scientific hypothesis that “CHMs with similar nature should have similar material basis”. To demonstrate this hypothesis, we developed a novel multi-wavelength high performance liquid chromatography (HPLC) fingerprint similarity metric scheme for cold-hot nature identification. We explored a multi-wavelength distance metric learning model to compute the similarity of CHM ingredients, and developed an improved k-nearest neighbor algorithm based on multi-wavelength HPLC fusion (KMHF) to predict cold-hot nature of CHMs. Firstly, multi-wavelength HPLC fingerprints were used to extract the characteristic information of CHM ingredients. Secondly, we defined the similarity of CHM ingredients as semantic relevance and fingerprint similarity. We studied a multi-wavelength distance metric to measure the similarity of CHM ingredients. The learned distance metric could discover complementary characteristics of different wavelength HPLC through an optimization algorithm. Finally, an improved multi-wavelength k-nearest neighbor algorithm KMHF was proposed to analyze the relationship between cold-hot nature and CHM ingredients. Numerous experiments were designed to test the feasibility of the proposed KMHF algorithm. Experimental results indicate that the performance of our KMHF algorithm outperforms that of the compared algorithms. Experimental results demonstrate that the hypothesis that CHMs with similar cold-hot nature have similar material basis. The KMHF model is evaluated to be feasible for nature identification.     

基于三波长融合谱的系统指纹定量法鉴定龙胆泻肝丸的真实质量

建立了龙胆泻肝丸(Longdanxiegan pill,LDXGP)三波长融合高效液相色谱(HPLC)指纹图谱,以系统指纹定量法全面鉴定LDXGP的质量。采用反相高效液相色谱法(RP-HPLC),运用多波长融合指纹图谱技术对色谱图进行处理,以黄芩苷为参照物峰,确立了63个共有指纹峰,以宏定性相似度为参量对12个厂家的12批LDXGP进行聚类分析,确定用其中10批生成对照指纹图谱(RFP),以此RFP为标准用系统指纹定量法评价12批LDXGP的质量。结果鉴别出9批质量完全合格,1批含量明显偏高,2批化学成分数量和分布比例不合格。基于多波长融合技术的系统指纹定量法是评价中药真实质量的可靠方法。     

两波长结合—多波长线性回归分光光度法同时测定3组分的研究

本文提出分光光度同时测定３组分的两波长结合－多波长线性回归法，不需要等吸收点，对ＰＡＲ－铜，锌，钴体系合成样测定的结果较为满意。     

高效毛细管电泳－电荷耦合器件检测器联用技术研究 Ⅴ．重叠电泳峰的多元线性回归多组分分析

使用多元线性回归方法，处理电荷耦合器件多波长荧光检测毛细管电泳装置得到的三维电泳图，将在电泳时未达到有效分离、重叠严重的混合物电泳峰，分解成单个组分的电泳峰，可进行有效的定性定量分析。该法用于电泳峰完全重叠的混合罗丹明荧光染料样品，结果令人满意。     

多波长线性回归法校正火焰原子吸收光谱干扰

用多波长线性回归法校正了火焰原子吸收分析中Ｇａ４０３．２９８ｎｍ对Ｍｎ４０３．３０７ｎｍ的吸收线重叠干扰，对合成样中Ｍｎ和Ｇａ含量的测定，结果令人满意。