A new three-dimensional modeling of fluorescence excitation-emission measurements to explore the interaction of hydroxychloroquine and DNA, and to quantify their binding constant.

A new three-dimensional chemometric approach was introduced to explore the interaction of hydroxychloroquine (HCQ)-calf thymus deoxyribonucleic acid (DNA) and quantify binding constant using fluorescence excitation and emission measurements. The fluorescence excitation-emission spectra were recorded after gradual titration of HCQ with DNA. Then, the excitation and emission curves and relative concentrations of the drug and drug-DNA complex were quantitatively estimated using a three-dimensional model called Parallel Factor Analysis (PARAFAC) to a cubic fluorescence data array. The interaction of HCQ and DNA was predicted by applying newly modified Stern-Volmer equations to the relationship between the actual DNA concentration, and the HCQ concentration in the relative concentration profile of the PARAFAC model. In the PARAFAC application, the binding constants of the HCQ-DNA complex at 288, 298, and 310 K were found as 6.78 × 103, 5.07 × 103, and 3.74 × 103 L mol-1, respectively. From the temperature studies, the thermodynamic parameters (ΔS0= 3.528 J mol-1 K-1, ΔH0= -20.099 kJ mol-1 and ΔG0=-21.11, -21.12, and -21.19 kJ mol-1 at 288, 298, and 310 K, respectively) were calculated. The drug-DNA interaction is spontaneous due to negative ΔG0 values. The positive ΔS0 and negative ΔH0 values revealed the major role of the electrostatic force on the binding of HCQ to DNA. Assay results obtained from the proposed three-way modeling were compared to those provided by the traditional spectrofluorimetric method.

Development of a novel UPLC approach to co-prediction of four active compounds in a multi-component pharmaceutical preparation.

In this work, a new ultra-performance liquid chromatography method based on photodiode array detection (UPLC-PDA) was first developed for the quantitative analysis of the quaternary mixture of ascorbic acid (AA), paracetamol (PAR), caffeine (CAF) and chlorpheniramine maleate (CPA) in a commercial dosage form. The developed UPLC-PDA method offered a new possibility for the co-determination of four active ingredients in a drug combination with short run time and simple sample preparation. The successful chromatographic separation of the four drugs was performed using a Waters Acquity UPLC BEH C18 column (1.7 µm 2.1 × 100 mm) (Mildford, USA) and a mobile phase consisting of water (12 %), acetonitrile (13 %) and 0.1 M H3PO4 (75 %) at a flow rate of 0.25 mL/min. The validation of the proposed UPLC-PDA approach was verified by analyzing synthetic mixtures, inter- and intra-day experiments, and commercial powder samples and provided satisfactory results.

Three-dimensional strategies in the quantitative resolution of kinetic UV absorbance measurements for monitoring the oxidation of quercetin by oxidant agents and analyzing dietary supplement product.

Three-dimensional strategies involving the application of parallel factor analysis (PARAFAC) to the kinetic UV absorbance measurements were elaborated to monitor the oxidation of quercetin with oxidant agents (K2Cr2O7 and KIO3) and to quantify analyte in a dietary supplement product. Loadings (spectral, kinetic and concentration profiles) were obtained by the PARAFAC deconvolution. Spectral identification, kinetics and quantification of the relevant analyte in the presence of interferent(s) were performed. The elaborated chemometric strategies were carefully validated to demonstrate the capability of the method. Assay results of the PARAFAC strategies were statistically compared to that of the newly developed UPLC method.

A multiway spectral analysis model to monitor the kinetic chlorination reaction of caffeine and determine its content in commercial liquid and solid drinks.

A multiway data analysis model, namely parallel factor analysis (PARAFAC) was proposed to decompose a three-way array of second-order kinetic UV measurements, for the chlorination reaction of caffeine with NaOCl, into a set of the spectra, time, and concentration matrices. The multiway resolution provided the simultaneous estimation of spectral, kinetic, and quantitative analysis of caffeine. The ability of the PARAFAC tool was checked by analyzing the validation samples in the presence of interferences. The added recovery and relative standard deviations for caffeine in the spiked samples were calculated as 99.1%-99.5% and 0.52%-1.34% for Iced Coffee Black liquid coffee (ICB), 99.5%-103.0% and 0.42%-1.03% for Jacobs Monarch Gold 100% Instant Coffee (JMG) and 99.5%-101.4% and 0.11%-0.13% for Çaykur Black Filter (Süzen) Bag Tea (BTB). Caffeine in commercial drinks was analyzed using the concentration matrices of the PARAFAC application. The PARAFAC results were statistically compared to those obtained by the developed UPLC method.

A New Ultra-Performance Liquid Chromatographic Method for the Quantification of Vitamin C in Fresh and Dried Goji Berries (Lycium barbarum L.) Cultivated in Turkey.

BACKGROUND: The potential background of the study is related to comprehensive detection of the content of vitamin C with an actual chromatographic method. OBJECTIVE: Vitamin C is of vital importance in terms of human life and health due to its polyfunctional activity such as antioxidant activity and antiviral effect with other biological functions. In this regard, it may be necessary to update analytical methods or develop up-to-date analytical methods to accurately estimate the amount of vitamin C in natural samples. In this study, a new ultra-performance liquid chromatography with photodiode array detection (UPLC-PDA) method has been developed for the determination of vitamin C content in fresh and dried goji berries (Lycium barbarum L.), which are cultivated in Turkey. METHOD: The chromatographic elution of vitamin C in natural fruit samples was achieved on an ACQUITY UPLC BEH C18 (1.7 µm, 2.1 mm × 100 mm) column using methanol and 0.1 M H3PO4 pH 2.15 (20:80, v/v), which are mobile phase. UPLC determination was done at the 242.8 nm. Flow rate was 0.20 mL/min at a column temperature of 30°C. Linearity range of the calibration graph was found to be at 5-30 µg/mL. The validity of the newly developed UPLC method was tested by analyzing individual test samples and added samples. RESULTS: Applicability of the validated UPLC method was verified by the quantitative analysis of vitamin C content in both fresh and dried goji berries. CONCLUSIONS: We believe that the newly developed and validated UPLC method would be a useful and promising approach for simple quantitative analysis of goji berry samples for vitamin C. HIGHLIGHTS: In previous studies, no UPLC-PDA method was reported for the analysis of vitamin C in goji berries. The method provided a good repeatability for the analysis of real samples.