[Determination of brix and POL in sugar cane juice by using near infrared spectroscopy coupled with BP-ANN].

The models of quantitative analysis of brix and pol in sugar cane juice were established by using near infrared spectroscopy (NIR) coupled with the back propagation-artificial neural network method (BP-ANN). The spectra of cane juice samples were obtained by the way of 2 mm optical length transmission and using the NIR spectrometer of 1,000-1,800 nm wavelength. Firstly, the data of original spectra were pretreated by Savitzky-Golay derivative and mean-centering.

[Real-time monitoring of industrial acetic acid production process using a new type of online NIR analysis system].

The safe and real-time monitoring of the production process of acetic acid is always a key technical problem. The conventional online chromatographic analysis can't satisfy the requirements of real-time analysis for its inherent disadvantages. A new type of on-line near-infrared analysis system has been developed for real-time analysis of the concentration of each component in acetic acid reaction kettles instantly.

Quantitative analysis of epinephrine in human plasma samples using kinetic fluorometric method combined with second-order calibration.

A kinetic fluorometric method was proposed for the quantitative determination of epinephrine (EP) in human plasma samples with the aid of second-order calibration methods based on alternating trilinear decomposition (ATLD) and alternating fitting residue (AFR) algorithms. It was based on that EP could be gradually converted to a highly fluorescent intermediate product by an oxidation reaction, and further to a non-fluorescent degradation product (o-quinone). These methodologies fully exploit the second-order advantage of the employed three-way kinetic fluorescence data, allowing the concentrations of EP to be quantified even in the presence of uncalibrated interferences.

Excitation-emission-kinetic fluorescence coupled with third-order calibration for quantifying carbaryl and investigating the hydrolysis in effluent water.

A novel method for determination of carbaryl in effluent was proposed in this study. The kinetic evolution of excitation-emission matrix fluorescence (EEM) for the pesticide were recorded and come into being a four-way data array. The four-way fluorescence data were analyzed using the parallel factor analysis (PARAFAC).

Interference-free determination of fluoroquinolone antibiotics in plasma by using excitation-emission matrix fluorescence coupled with second-order calibration algorithms.

Fluoroquinolones or so-called second-generation quinolones, in particular, ofloxacin (OFL), norfloxacin (NOR), and enoxacin (ENO), with therapeutic advantages possess strongly overlapped fluorescence spectra. In this paper, two strategies were proposed for simultaneous direct determination of OFL, NOR and ENO in plasma by combining fluorescence excitation-emission matrix (EEM) with second-order calibration based on the alternating trilinear decomposition algorithm (ATLD) and parallel factor analysis (PARAFAC). The results showed that both algorithms could solve the problem of serious fluorescence spectral overlapping of the sought-for analytes even in the presence of uncalibrated interferents.

Determination of psoralen in human plasma using excitation-emission matrix fluorescence coupled to second-order calibration.

A new algorithm, an alternating normalization-weighted error (ANWE) method, and the parallel factor analysis (PARAFAC) have been used to directly determine psoralen (PSO) in human plasma. The two methods fully exploit the second-order advantage of the applied three-way fluorescence data. Interestingly, the calibration samples need only the components of interest, and the prediction samples allow containing not only the components of interest, but also unknown interferents.

Determination of pesticides in honey using excitation-emission matrix fluorescence coupled with second-order calibration and second-order standard addition methods.

The present paper presents a novel method for simultaneous determination of the three pesticides, carbaryl, carbendazim and 1-naphthol in honey. The excitation-emission matrix fluorescence data from calibration and prediction samples composed a three-way data array and then were analyzed using the second-order calibration method based on the self-weighted alternating trilinear decomposition (SWATLD). The second-order advantage of the SWATLD-based second-order calibration method was exploited, which makes it possible that calibration can be performed even in the presence of unknown interferences.

Quantitative analysis of hydrolysis of carbaryl in tap water and river by excitation-emission matrix fluorescence coupled with second-order calibration.

A novel method was proposed to determine simultaneously carbaryl and its degradation product 1-naphthol in river and tap water in this paper. The parallel factor analysis (PARAFAC) algorithm was adopted to analyze the excitation-emission matrix (EEM) fluorescence data. The second-order advantage of the PARAFAC-based second-order calibration algorithm was exploited, which make it possible that calibration can be performed even in the presence of unknown interferences.

Determination of sulpiride in human urine using excitation-emission matrix fluorescence coupled with second-order calibration.

This paper proposes a new and effective approach for the quantitative analysis of sulpiride, a significant antipsychotic drug, in human urine samples by the incorporation of excitation-emission matrix (EEM) fluorescence and second-order calibration methodologies based on the alternating fitting residue (AFR) and self-weighted alternating trilinear decomposition (SWATLD) algorithms. With the application of a second-order advantage, the proposed strategy could be utilized for a direct concentration determination of sulpiride with a simple pretreatment step, even in the presence of serious natural fluorescent interferences. The average recoveries of sulpiride in complex urine samples by using AFR and SWATLD with an estimated component number of three were 101.

Study of the interactions of berberine and daunorubicin with DNA using alternating penalty trilinear decomposition algorithm combined with excitation-emission matrix fluorescence data.

Studies of interactions between drugs and DNA are very interesting and significant not only in understanding the mechanism of interaction, but also for guiding the design of new drugs. However, until recently, mechanisms of interactions between drug molecules and DNA were still relatively little known. It is necessary to introduce more simple methods to investigate the mechanism of interaction.

Determination of carbendazim in bananas by excitation-emission matrix fluorescence with three second-order calibration methods.

A novel method for determination of carbendazim in bananas is proposed in this study. After the bananas were simply extracted, the carbendazim was quantified under the interference of banana extract using the second-order calibration algorithms based on the parallel factor analysis (PARAFAC), the self-weighted alternating trilinear decomposition (SWATLD) and the alternating penalty trilinear decomposition algorithms (APTLD), respectively. For analysis of the complex samples, the so-called second-order advantage was adequately exploited and good results were obtained.

Trilinear decomposition method applied to removal of three-dimensional background drift in comprehensive two-dimensional separation data.

A novel technique for removal of three-dimensional background drift in comprehensive two-dimensional (2D) liquid chromatography coupled with diode array detection (LCxLC-DAD) data is proposed. The basic idea is to perform trilinear decomposition on the instrumental response data, which is based on the alternating trilinear decomposition (ATLD) algorithm. In model construction, the background drift is modeled as one component or factor as well as the analytes of interest, hence, the drift is explicitly included into the calibration.

A novel efficient way to estimate the chemical rank of high-way data arrays.

A novel method, a subspace projection of pseudo high-way data array (SPPH), was developed for estimating the chemical rank of high-way data arrays. The proposed method determines the chemical rank through performing singular value decomposition (SVD) on the slice matrices of original high-way data array to produce a pseudo high-way data array and employing the idea of the difference of the original truncated data set and the pseudo one. Compared with traditional methods, it uses the information from eigenvectors combined with the projection residual to estimate the rank of the three-way data arrays instead of using the eigenvalue.

Interference-free determination of Sudan dyes in chilli foods using second-order calibration algorithms coupled with HPLC-DAD.

This paper presents a new method for the determination of Sudan dyes contained in hot chilli samples. The method employs second-order calibration algorithms to handle the recorded data. The second-order calibration algorithms are based on the popular parallel factor analysis (PARAFAC), alternating trilinear decomposition (ATLD) and self-weighted alternating trilinear decomposition (SWATLD), respectively.

Estimating the chemical rank of three-way data arrays by a simple linear transform incorporating Monte Carlo simulation.

Estimating an appropriate chemical rank of a three-way data array is very important to second-order calibration. In this paper, a simple linear transform incorporating Monte Carlo simulation approach (LTMC) to estimate the chemical rank of a three-way data array was suggested. The new method determines the chemical rank through performing a simple linear transform procedure on the original cube matrix to produce two subspaces by singular value decomposition.

Fluorescence determination of metoprolol in human plasma by trilinear decomposition-based calibration techniques.

In this study a new spectrofluorimetric method for the direct determination of metoprolol in human plasma is presented and discussed. It is based on the use of fluorescence excitation-emission matrices (EEMs) and second-order calibration performed with parallel factor analysis (PARAFAC) or alternating trilinear decomposition (ATLD). This methodology enables accurate and reliable discrimination of the analyte signal, even in the presence of unknown and uncalibrated fluorescent component(s), which is often referred to as the second-order advantage.

Determination of daunomycin in human plasma and urine by using an interference-free analysis of excitation-emission matrix fluorescence data with second-order calibration.

Daunorubicin (DNR) is a significant antineoplastic antibiotic, which is usually applied to a chemotherapy of acute lymphatic and myelogenous leukaemia. Unfortunately, cardiotoxicity research in animals has indicated that DNR is cardiotoxic. Therefore, it is important to quantify DNR in biological fluids.

Simultaneous determination of cortisol and prednisolone in body fluids by using HPLC-DAD coupled with second-order calibration based on alternating trilinear decomposition.

A novel method for simultaneous determination of cortisol and prednisolone in body fluids has been developed in this paper. Three-way data recorded by high-performance liquid chromatography with a diode array detector (HPLC-DAD) have been analyzed by second-order calibration based on the alternating trilinear decomposition (ATLD) algorithm. The chemometric methodology selected exploits the second-order advantage of the three-way data arrays, which allows one to obtain concentrations of individual calibrated analytes even in the presence of interferences not present in the calibration samples (e.