采用盲信号分离算法处理GC-FTIR信号

针对气相色谱-红外(GC-FTIR)联用的多维数据处理,提出基于盲信号分离的色谱重叠峰分离和红外吸收谱图纯化的定性定量分析方法。优点在于充分利用联用仪器提供的大量信息,解决红外和色谱分析中有机混合物无法完全分离的难题。该方法对二甲苯的同分异构体系进行了研究,验证了理论和算法的合理性,对独立分量分析的数据进行了完整的解释,讨论了针对定量分析产生误差的原因。     

Male-specific volatiles released by Homalinotus validus (Coleoptera: Curculionidae) include (1R,2S)-grandisyl acetate,a new natural product

Homalinotus validus is an important pest of babassu palm (Attalea speciosa) cultures in North Brazil. Investigations on the chemical ecology of this species are essential for the development of an integrated pest management system, since attempts to control the pest by conventional insecticides failed. GC/MS and GC/FT-IR analyses of headspace volatiles obtained from males and females revealed the presence of two male specific compounds, which were identified to be (1R,2S)-grandisol and the new (1R,2S)-grandisyl acetate. Both compounds presumably act as an aggregation pheromone of the species.     

GC-FTIR as a powerful tool for the characterization of flavor components in Kiwi

Extracts from deep-frozen Kiwi puree were investigated by an integrated method consisting of GC-FTIR and GC-MS for a reliable identification of the peaks detected and GC-sniffing to correlate this chemical information to sensory impression. Beneath trans-2-hexenal, that is responsible for the fresh, green scent, cyclohexarione was identified among a number of substances. By comparison of the FTIR-spectra to a specific vapor-phase-IR-library, that is presently accumulated in our group, most of the components could be identified.In particular 3 terpene-esters, linalyl-acetate, isobornylacetate anda-terpinyl-acetate were identified and found to be responsible for an overripe, terpene-like-off-flavor in stored Kiwi puree.In this field of unsaturated terpenes, esters and aldehydes the identification-capability of FTIR together with appropriate library-spectra exceeds that of mass-fragmentograms, especially for isomeric compounds, whereas the combined information of both techniques is needed for a reliable characterization of complex flavor-mixtures because of its complementary nature.     

Sequential determination of sugar units in reducing disaccharides by capillary gas chromatography/Fourrier-transform infrared spectroscopy

Conversion of disaccharide reducing units into the corresponding methoximes followed by their reduction with NaBH₄CN to the corresponding deoxy(methoxyamino)alditol glycosides (RCH₂-NHOCH₃) introduces a constitutional asymmetry in the sugar molecule. After methylation of the resulting compounds, cleavage of the glycosidic bonds is carried out by BF₃- catalyzed methanolysis, affording permethylated O-methylglycosides and permethylated deoxy(methylmethoxyamino)alditols with a free ?OH corresponding to the position of the glycosidic bond. Identification of the reducing moiety is achieved by GC-FTIR and computerized retrieval of library FTIR spectra.     

GC-FTIR and GC-MS in odour analysis of essential oils

The analysis of odour components in East Indian Sandalwood Oil (Santalum album L.) and in Patchouli Oil (Pogostemon cablin Benth.) based on GC-, GC-FTIR- and GC-MS-data resulted in the identification of-santalene,-santalal,-santalal, epi--santalal,-santalol,-santalol, (E)--santalol,-bergamotol and spirosantalol in Sandalwood Oil and of (–)-patchoulol,-guaiene,-patchoulene, seychellene,-bulnesene, norpatchoulenol and pogostol in Patchouli Oil as the most intense aroma compounds of these oils.     

GC-FTIR联用分析硝基氯苯焦油状废液的成分

GC- FTIR法分析硝基氯苯焦油状废液中能溶于乙醚的部分 ,其主要成分为 2 ,4 -二硝基氯苯和邻硝基氯苯 ,少量的 2 ,5 -二氯硝基苯和 3,4 -二氯硝基苯等。     

GC-FTIR联用技术在催化氧化环己酮制己二酸反应机理研究中的应用

双氧水作为一种廉价的清洁氧化剂受到广泛的关注[1 - 3] 。本文考察了以Na2 WO4·2H2 O与酸性配体组成的催化体系中过氧化氢氧化环己酮制己二酸的反应。利用气相色谱红外光谱联用技术对以磺基水杨酸为配体的氧化反应中间物进行了研究,认为ε己内酯是该氧化反应的稳定的中间产物,并提出了可能的反应机理。1　实验部分1 1　仪器及试剂AutosystemXL型气相色谱仪(美国Perkin Elmer公司) ;色谱工作站为TotalChromWorkstationVer 6 2 0 ;SpectrumGX型红外光谱仪(Perkin Elmer公司) ,分辨率为8cm- 1 ,OPD速度2cm/s;用PE公司的GC/IRin…