Advanced spectrophotometric chemometric methods for resolving the binary mixture of doxylamine succinate and pyridoxine hydrochloride

The prediction power of partial least squares (PLS) and multivariate curve resolution-alternating least squares (MCR-ALS) methods have been studied for simultaneous quantitative analysis of the binary drug combination – doxylamine succinate and pyridoxine hydrochloride. Analysis of first-order UV overlapped spectra was performed using different PLS models – classical PLS1 and PLS2 as well as partial robust M-regression (PRM). These linear models were compared to MCR-ALS with equality and correlation constraints (MCR-ALS-CC). All techniques operated within the full spectral region and extracted maximum information for the drugs analysed. The developed chemometric methods were validated on external sample sets and were applied to the analyses of pharmaceutical formulations. The obtained statistical parameters were satisfactory for calibration and validation sets. All developed methods can be successfully applied for simultaneous spectrophotometric determination of doxylamine and pyridoxine both in laboratory-prepared mixtures and commercial dosage forms

SPECIFIC TRAUMATIC INJURIES ESTABLISHED ON THE BODY OF A MOTORCYCLIST ASSOCIATED WITH A TRAFFIC ACCIDENT

Introduction: Traffic accidents are a common cause of traumatic injuries today and are the cause of a great number of deaths. The information, gathered from the site of the accident, the forensic autopsy and the toxicological analysis of blood and urine samples taken from the deceased, reveals the sequence of events leading to the incident, the type of vehicle involved in the crash, the place of the occupants of the vehicle, the cause of the death and the mechanism of occurring of the injuries. Materials and methods: forensic autopsy of the body; chemical analyses of blood and urine. Case presentation: We present a case of a 30-year-old male motorcyclist who died in a traffic accident, as he was hit and run over by a cargo truck. The body of the deceased was examined in the Department of Forensic medicine and deontology, Sofia. Multiple traumatic injuries were identified, with specific findings on the chest and the abdomen – excoriations with specific shape corresponding to a specific detail (an identification number) of the tire of the motor vehicle. Discussion: Traumatic injuries on the chest and abdomen were due to contact with a motor vehicle tire element, expressed as a positive-negative imprint. This statement is firmly proven based on the specific injury located on the thorax and abdomen with visualization of the serial number of the tire. Conclusion: Every detail, traumatic injuries and their comparison are essential for the correct interpretation of a traffic accident to recreate the events that led to the incident and its outcomes, i.e. building a situational image of a traffic accident

Robust multivariate diagnostics for PLSR and application on high dimensional spectrally overlapped drug systems

Statistical methods are effectively used in the evaluation of pharmaceutical formulations instead of laborious liquid chromatography. However, signal overlapping, nonlinearity, multicollinearity and presence of outliers deteriorate the performance of statistical methods. The Partial Least Squares Regression (PLSR) is a very popular method in the quantification of high dimensional spectrally overlapped drug formulations. The SIMPLS is the mostly used PLSR algorithm, but it is highly sensitive to outliers that also effect the diagnostics. In this paper, we propose new robust multivariate diagnostics to identify outliers, influential observations and points causing non-normality for a PLSR model. We study performances of the proposed diagnostics on two everyday use highly overlapping drug systems: Paracetamol-Caffeine and Doxylamine Succinate-Pyridoxine Hydrochloride

Advanced spectrophotometric chemometric methods for resolving the binary mixture of doxylamine succinate and pyridoxine hydrochloride

The prediction power of partial least squares (PLS) and multivariate curve resolution-alternating least squares (MCR-ALS) methods have been studied for simultaneous quantitative analysis of the binary drug combination - doxylamine succinate and pyridoxine hydrochloride. Analysis of first-order UV overlapped spectra was performed using different PLS models - classical PLS1 and PLS2 as well as partial robust M-regression (PRM). These linear models were compared to MCR-ALS with equality and correlation constraints (MCR-ALS-CC). All techniques operated within the full spectral region and extracted maximum information for the drugs analysed. The developed chemometric methods were validated on external sample sets and were applied to the analyses of pharmaceutical formulations. The obtained statistical parameters were satisfactory for calibration and validation sets. All developed methods can be successfully applied for simultaneous spectrophotometric determination of doxylamine and pyridoxine both in laboratory-prepared mixtures and commercial dosage forms

Metabolomic Profile of <i>Arthrospira platensis</i> from a Bulgarian Bioreactor—A Potential Opportunity for Inclusion in Dietary Supplements

The present study aims to elucidate the metabolomic profile of Arthrospira platensis grown in a bioreactor in Bulgaria. The results show that Arthrospira platensis has a high content of mannose, 137.02 mg g−1, and vitamin A (retinol)—10.3 μg/100 g. High concentrations of calcium, sulfur, and zinc distinguish its elemental composition. The freeze-dried powder contained 15.81 ± 0.45% dietary fiber, 50.16 ± 0.25% total protein content, and 1.22 ± 0.11% total fat content. Among the unsaturated fatty acids with the highest content is α-linolenic acid (25.28%), while among the saturated fatty acids, palmitic acid prevails (22.55%). Of the sterols in the sample, β-sitosterol predominated. There is no presence of microcystins LR, RR, YR, and nodularin. Therefore, Arthrospira platensis grown in a Bulgarian bioreactor is safe for use in the pharmaceutical and food industries. Many of the organic compounds found have applications in medicine and pharmacology and play an important role in biochemical processes in the body. Therefore, Arthrospira platensis grown in Bulgaria has a high potential for use as an independent food supplement or in combination with other natural products