Jagdish Tewari

Quantification of Saccharides in Multiple Floral Honeys Using Fourier Transform Infrared Microattenuated Total Reflectance Spectroscopy

Fourier transform infrared (FTIR) spectroscopy with microattenuated total reflectance (mATR) sampling accessory and chemometrics (partial least squares and principal component regression) was used for the simultaneous determination of saccharides such as fructose, glucose, sucrose, and maltose in honey. Two calibration models were developed. The first model used a set of 42 standard mixtures of fructose, glucose, sucrose, and maltose prepared over the range of concentrations normally present in honey, whereas the second model used a set of 45 honey samples from various floral and regional sources. The developed models were validated with different data sets and verified by high-performance liquid chromatography (HPLC) measurements. The R (2) values between the FTIR-mATR predicted and HPLC results of the different sugars were between 0.971 and 0.993, demonstrating the predictive ability and accuracy of the procedure.

Simultaneous monitoring of organic acids and sugars in fresh and processed apple juice by Fourier transform infrared-attenuated total reflection spectroscopy

A combination of Fourier transform infrared spectroscopy (FT-IR) and chemometrics was used as a screening tool for the determination of sugars and organic acids such as sucrose, glucose, fructose, sorbitol, citric acid, and malic acid in processed commercial and extracted fresh apple juices. Prepared samples of synthetic apple juice in different constituent concentration ranges were scanned by attenuated total reflectance (ATR) accessory and the spectral region in the range between 950 and 1500 cm−1 was selected for calibration model development using partial least squares (PLS) regression and principal component regression (PCR). The calibration models were successfully validated by high-performance liquid chromatography (HPLC) measurements against several commercial juice varieties as well as juice extracted from different apple varieties to provide an overall R2 correlation of 0.998. The present study demonstrates that Fourier transform infrared spectroscopy could be used for rapid and nondestructive determination of multiple constituents in commercial and fresh apple juices. Results indicate this approach to be a rapid and cost-effective tool for routine monitoring of multiple constituents in a fruit juice production facility.

Determination of origin and sugars of citrus fruits using genetic algorithm, correspondence analysis and partial least square combined with fiber optic NIR spectroscopy

The capacity to confirm the variety or origin and the estimation of sucrose, glucose, fructose of the citrus fruits are major interests of citrus juice industry. A rapid classification and quantification technique was developed and validated for simultaneous and nondestructive quantifying the sugar constituents concentrations and the origin of citrus fruits using Fourier Transform Near-Infrared (FT-NIR) spectroscopy in conjunction with Artificial Neural Network (ANN) using genetic algorithm, Chemometrics and Correspondences Analysis (CA). To acquire good classification accuracy and to present a wide range of concentration of sucrose, glucose and fructose, we have collected 22 different varieties of citrus fruits from the market during the entire season of citruses. FT-NIR spectra were recorded in the NIR region from 1,100 to 2,500 nm using the fiber optic probe and three types of data analysis were performed. Chemometrics analysis using Partial Least Squares (PLS) was performed in order to determine the concentration of individual sugars. Artificial Neural Network analysis was performed for classification, origin or variety identification of citrus fruits using genetic algorithm. Correspondence analysis was performed in order to visualize the relationship between the citrus fruits. To compute a PLS model based upon the reference values and to validate the developed method, high performance liquid chromatography (HPLC) was performed. Spectral range and the number of PLS factors were optimized for the lowest standard error of calibration (SEC), prediction (SEP) and correlation coefficient (R(2)). The calibration model developed was able to assess the sucrose, glucose and fructose contents in unknown citrus fruit up to an R(2) value of 0.996-0.998. Numbers of factors from F1 to F10 were optimized for correspondence analysis for relationship visualization of citrus fruits based on the output values of genetic algorithm. ANN and CA analysis showed excellent classification of citrus according to the variety to which they belong and well-classified citrus according to their origin. The technique has potential in rapid determination of sugars content and to identify different varieties and origins of citrus in citrus juice industry.

Identification of degraded products of aldicarb due to the catalytic behavior of titanium dioxide/polyacrylonitrile nanofiber

Photocatalytic properties of fibers containing TiO2 nanoparticles were explored for use as a self-decontaminating material using degradation of the pesticide aldicarb as the model toxin. During the analysis of the aldicarb treated sample by liquid chromatography (LC) with diode array detector (DAD), an unidentified peak was found at relative retention time (RT) 3.9 min when compared to aldicarb and major metabolites, aldicarb sulfoxide, and aldicarb sulfone. An analytical method was developed to confirm and identify this degradation product. LC-APCI/MS techniques were used first to analyze molecular ions and major fragments comparing retention times and spectra with those of known standards. FTIR and LC-MS/MS techniques were used to confirm the identity of the degradation product as 2-propenal, 2-methyl-, O-[(methylamino)carbonyl]oxime.

Direct near infrared analysis of sugar cane clear juice using a fibre-optic transmittance probe

Determination of sugars in sugarcane juice is an important task in sugar refineries as well as in food industries because of its continuous evolution during the fermentation process. A rapid and accurate method for the determination of total sugars, also termed as the ‘Pol’ value, using a near infrared (NIR) fibre optic probe has been developed and validated. Clear sugarcane juice samples were collected from the sugar industry during the entire sugarcane season to represent a wide range of concentration of components such as sucrose, glucose and fructose. The samples were scanned in the NIR region (5400–6400 cm−1) using the fibre-optic transmittance probe and analysed by partial least squares (PLS). The standard polarimetric method was used to obtain reference values for the calibration model from NIR results. The calibration model developed was able to assess the Pol value in unknown sugarcane clear juice samples accurate to an R2 value of 0.936. The technique has potential in the rapid measurement of Pol content in sugarcane clear juice for the sugar industry.

Rapid Estimation of Pol Content in Sugarcane Juice Using FTIR-ATR Spectroscopy

Determination of “Pol” value in sugar cane and sugar beet products are important task for the sugarcane and beet industries. Polarimetry is one of the most popular method used for the determination of Pol value but the technique is time consuming and prone to underestimation. A rapid method for accurate determination of Pol value in sugar cane juice by Fourier Transform Infrared (FTIR) spectroscopy is proposed. Sugarcane juice samples were collected from the sugarcane industry during the season and the samples were scanned in the mid-infrared region between 400- 4000 cm-1 and simultaneously analyzed by polarimetric method to obtain the reference Pol value for FTIR analysis. Using Partial Least Square (PLS) analysis the developed calibration model was able to predict the pol content in unknown raw sugarcane juice samples statisfactorily (R2 = 0.998). The present investigation demonstrates the feasibility of the FTIR as a potential method for rapid and cost effective assessment of pol control in raw sugarcane juice.

Spectroscopic Techniques for Nondestructive Quality Inspection of Pharmaceutical Products: A Review

, 2015Spectroscopy is an emerging technology for the quality assessment of pharmaceutical samples, from tablet manufacturing to final quality assurance. The traditional methods for the quality management of pharmaceutical tablets are time consuming and destructive, while spectroscopic techniques allow rapid analysis in a non-destructive manner. The advantage of spectroscopy is that it collects both spatial and spectral information (called hyperspectral imaging), which is useful for the chemical imaging of pharmaceutical samples. These chemical images provide both qualitative and quantitative information on tablet samples. In the pharmaceutics, spectroscopic techniques are used for a variety of applications, such as analysis of the homogeneity of powder samples as well as determination of particle size, product composition, and the concentration, uniformity, and distribution of the active pharmaceutical ingredient in solid tablets. This review paper presents an introduction to the applications of various spectroscopic techniques such as hyperspectroscopy and vibrational spectroscopies (Raman spectroscopy, FT-NIR, and IR spectroscopy) for the quality and safety assessment of pharmaceutical solid dosage forms. In addition, various chemometric techniques that are highly essential for analyzing the spectroscopic data of pharmaceutical samples are also reviewed.Keywords: Applications, Chemometrics, Hyperspectroscopy, Pharmaceutical, Vibrational spectroscopy

Identifications of household’s spores using mid infrared spectroscopy

Exposure to household fungi is very common both inside and outside the house and can cause health issues. The application of fourier transforms mid infrared spectroscopy (FTIR) as a screening technique for the detection and identification of household fungi was investigated. Early detection and identification of these household pathogens is very important and critical for their control. The current available methods for identification of fungi are time consuming, expensive and not very specific. Mid IR spectroscopy is a reliable and sensitive technique for the detection of spores. FTIR Spectra of four household fungi such as Aspergillus Ochraceus, Aspergillus Niger, Candida Glabrata and Penicillium Roguefortii were recorded in the mid infrared range from 600 to 4000cm(-1) using attenuated total reflectance (ATR) sampling accessory. Chemometrics analysis using principal component analysis (PCA), canonical variate analysis (CVA) and linear discriminant analysis (LDA) were performed to discriminate the fungi samples. Correspondence analysis (CA) was performed in order to visualize the relationship between different spores. An optimum classification of 100% was achieved for four different fungi. Results demonstrated that discriminant analysis of the FTIR spectra of fungi could be used for rapid detection of household fungi.

Investigation of Staphylococcus aureus Inactivation by Pulsed UV-light and Infrared Heating Using Micro-spectrometry and Transmission Electron Microscopy

Pulsed UV-light and infrared heat treated S. aureus cells were analyzed using transmission electron microscopy to identify the damages caused during the treatment. A five second treatment of S. aureus with pulsed UV-light resulted in complete inactivation of S. aureus even after enrichment. The temperature increase during the pulsed UV-light treatment was 2oC. S. aureus was treated using six ceramic infrared lamps with the power of 500 W. A 5 ml of S. aureus cells in phosphate buffer was treated at 700oC lamp temperature for 20 min. The microscopic observation clearly indicated that there was cell wall damage, cytoplasmic membrane shrinkage, cellular content leakage, and mesosome disintegration for both pulsed UV-light and infrared treatments. The structural damage of S. aureus during pulsed UV-light treatment might be caused by the constant disturbances of the intermittent pulses. Temperature increase might be the cause of the cellular damage by infrared heat treatment. FTIR microspectrometry was successfully used to classify the pulsed UV-light and infrared heat treated S. aureus by discriminant analysis. Further investigation on identification of key absorption bands may result in a better assessment of the chemical and structural changes during pulsed UV-light and infrared heating.