| The chemometrics, which uses the theories and methods of mathematics,statistics, computer science and other related disciplines to optimize the chemicalmeasurement process and to maximize access to useful chemical information fromchemical measurement data, is a basic theory and methodology of chemicalmeasurements. With the continuous emergence of high-order analytical instruments,the challenges of a large number of data prompt chemists to develop rapid, efficientchemometric methods to identify the most meaningful information from mountains ofdata generated. Now, the second-order calibration method has a wide range ofapplications with its unique “second-order advantage”, that is, direct qualitative andquantitative analysis of the target analytes in complex systems can still be achievedeven in the presence of unknown interferents.The second-order calibration method based on different algorithms has importantapplications in the chemical branch disciplines, such as environmental chemistry,food chemistry, agricultural chemistry, medicinal chemistry, petroleum ch emistry andso on. In the actual analysis of the study, according to the different types of datagenerated by analytical instruments, we need to choose different algorithms todecompose data. In this paper, the author primarily focused attention on theapplication of the second-order calibration method based on the alternating trilineardecomposition (ATLD) algorithm. In this parper, the main contents are as follows:1. In Chapter1, according to their fluorescence characteristics, fast quantitativedetermination of telmisartan and reserpine in human plasma by the second-ordercalibration method can be realized. Step therapy and combination therapy ashypertension treatment methods are widely advocated by the World HealthOrganization. Telmisartan and reserpine are antihypertensive drugs of significantefficacy, so their quantitative detection analysis in body fluids has important practicalsignificance for the study of the metabolic processes of drugs in the body and drugquality inspection. This method not only takes advantages of three-dimensionalfluorescence spectroscopy to obtain the fluorescence intensity at the excitation andemission wavelengths at the same time, but also uses unique "second-orderadvantage" of the second-order calibration method, that can make the directquantitative determination of the interested components even in the presence of unknown interferents. Although the interference of the endogenous fluorescentsubstances in plasma for the determination of telmisartan and reserpine is serious,satisfactory quantitative analysis results can be still obtained by the use of this newapproach.2. Curcumin, adriamycin and resveratrol as antitumor drugs are commonly used,and the remarkable curative effect can be observed, when curcumin and adriamycin orresveratrol are used in combination. In order to quantify simultaneously curcumin,adriamycin and resveratrol in human plasma samples, in Chapter2, taking advantageof the fluorescent properties of the three agents, new strategy was proposed, whichuses the combination of high sensitivity fluorescence analysis technology with thesecond-order calibration method based on the alternating trilinear decomposition(ATLD) algorithm. This method avoids tedious separation steps and pretreatmentprocesses of plasma samples by "mathematical separation" instead of "physical andchemical separation", and realizes direct, convenient, fast quantitative analysis at thesame time, and the result is reliable. This research provides a method for thesimultaneous determination of the three anticancer drugs in blood in breast cancertreatment research, and has important practical value and application prospect.3. Eugenol as the main component of safflower oil and essential balm, is animportant indicator of the quality of products. In Chapter3, we proposed a newapproach for quantitative analysis of eugenol in safflower oil and essential balmbased on the fluorescence characteristics of eugenol by the incorporation ofexcitation-emission matrix fluorescence and second-order correction method based onATLD algorithm in chemometrics, and the quantitative results of the new method wasvalidated by high performance liquid chromatography-diode array detector(HPLC-DAD)hyphenated techniques. The method, which does not requirepre-treatment processes, is simple, fast and sensitive, and may be expected to play animportant role in the rapid determination of eugenol in the actual systems.4. At present, the issues about food hygiene abound, then the safe use of foodadditives has also become a hot topic. Therefore, in Chapter4, the use of highperformance liquid chromatography-diode array detector hyphenated techniques(HPLC-DAD) combined with the second-order calibration method based onalternating trilinear decomposition (ATLD) algorithm can realize simultaneousdetermination of7kinds of food additives in drinks. A great advantage of the novelmethod lies in the fact of the simultaneous quantitative analysis of7food additives in6kinds of drinks with a simple gradient elution condition in a short separation time. This study not only embodies fully the “second-order advantage” of the second-ordercalibration method, also provides a new method for food safety and quality research. |
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