Separation of achiral anti-diabetic drugs using sub/supercritical fluid chromatography with a polysaccharide stationary phase: Thermodynamic considerations and molecular docking study
“…Reported method [38] Reported method [39] Reported method [40] Reported method [41] Reported method that range from simple protein precipitation to complex advanced extraction (as SPE). So, these methods need additional steps for extraction procedure and consuming time (increase total run procedure) and solvents.…”
Section: Developed Methodsmentioning
confidence: 99%
“…While other reported methods [38][39][40][41][42] depend on the determination of the studied drugs in human plasma by using UV or MS detectors. HPLC-MS/MS is an expensive tool that cannot be used economically in routine QC procedures due to its high maintenance cost and short column lifetime.…”
Section: Itemmentioning
confidence: 99%
“…While, EMP and MET were investigated using spectrophotometric [22][23][24][25][26][27] and chromatographic [20,21,[28][29][30][31][32][33][34][35] methods in pure and pharmaceutical form. Few published researches have discussed the simultaneous determination of the studied drugs with MEL [36][37][38][39][40][41][42].…”
Molecular modeling is the science of representing molecular structures numerically and simulating their behavior with the equations of quantum and classical physics. Coupling molecular modeling and simulation with chromatographic resolution for pharmaceutical products constitutes a new technique in pharmaceutical analysis. An innovative high-performance liquid chromatographic (HPLC) methodology was developed for the quantification of metformin hydrochloride (MET), empagliflozin (EMP), and canagliflozin (CAN) in bulk, laboratory-developed combinations, pharmaceutical tablets, and in the presence of melamine. Chromatographic separation was accomplished using a Symmetry column with 0.03 M potassium dihydrogen phosphate buffer and 0.02 M heptane sulphonic acid: acetonitrile as the mobile phase. Molecular modeling using molecular operating environment software was applied to properly select the stationary phase suitable for the developed HPLC method. Additionally, molecular modeling estimates and validates binding between the studied analytes and the stationary phase to clarify and explain the chromatographic separation and elution order. In accordance with the International Conference of Harmonization recommendations, the method was validated in terms of linearity, accuracy, precision, and selectivity. The linearity ranges (μg/ml) were 200-1500 (MET), 2-15 (EMP), and 20-150 (CAN) and the limit of detection values were in the ranges of 0.17-54.58 μg/ml. Analysis of pharmaceutical tablets using the suggested approach yielded satisfactory outcomes. As a result, it might be used in quality control laboratories to analyze the aforementioned medications.
“…Reported method [38] Reported method [39] Reported method [40] Reported method [41] Reported method that range from simple protein precipitation to complex advanced extraction (as SPE). So, these methods need additional steps for extraction procedure and consuming time (increase total run procedure) and solvents.…”
Section: Developed Methodsmentioning
confidence: 99%
“…While other reported methods [38][39][40][41][42] depend on the determination of the studied drugs in human plasma by using UV or MS detectors. HPLC-MS/MS is an expensive tool that cannot be used economically in routine QC procedures due to its high maintenance cost and short column lifetime.…”
Section: Itemmentioning
confidence: 99%
“…While, EMP and MET were investigated using spectrophotometric [22][23][24][25][26][27] and chromatographic [20,21,[28][29][30][31][32][33][34][35] methods in pure and pharmaceutical form. Few published researches have discussed the simultaneous determination of the studied drugs with MEL [36][37][38][39][40][41][42].…”
Molecular modeling is the science of representing molecular structures numerically and simulating their behavior with the equations of quantum and classical physics. Coupling molecular modeling and simulation with chromatographic resolution for pharmaceutical products constitutes a new technique in pharmaceutical analysis. An innovative high-performance liquid chromatographic (HPLC) methodology was developed for the quantification of metformin hydrochloride (MET), empagliflozin (EMP), and canagliflozin (CAN) in bulk, laboratory-developed combinations, pharmaceutical tablets, and in the presence of melamine. Chromatographic separation was accomplished using a Symmetry column with 0.03 M potassium dihydrogen phosphate buffer and 0.02 M heptane sulphonic acid: acetonitrile as the mobile phase. Molecular modeling using molecular operating environment software was applied to properly select the stationary phase suitable for the developed HPLC method. Additionally, molecular modeling estimates and validates binding between the studied analytes and the stationary phase to clarify and explain the chromatographic separation and elution order. In accordance with the International Conference of Harmonization recommendations, the method was validated in terms of linearity, accuracy, precision, and selectivity. The linearity ranges (μg/ml) were 200-1500 (MET), 2-15 (EMP), and 20-150 (CAN) and the limit of detection values were in the ranges of 0.17-54.58 μg/ml. Analysis of pharmaceutical tablets using the suggested approach yielded satisfactory outcomes. As a result, it might be used in quality control laboratories to analyze the aforementioned medications.
“…The computational study of the interaction between polysaccharides and anthocyanins is far less than that of proteins. It is largely because of the uncertainty of the spatial structure of polysaccharides (Jin et al., 2020; Pandya et al., 2020). The polysaccharide structures are mostly composed of long or branched chains with strong structural motility (Xiao et al., 2020).…”
Section: Interaction Between Anthocyanins and Polysaccharidesmentioning
The health benefits of anthocyanins are compromised by their chemical instability and susceptibility to external stress. Researchers found that the interaction between anthocyanins and macromolecular components such as proteins and polysaccharides substantially determines the stability of anthocyanins during food processing and storage. The topic thus has attracted much attention in recent years. This review underlines the new insights gained in our current study of physical and chemical properties and functional properties in complex food systems. It examines the interaction between anthocyanins and food proteins or polysaccharides by focusing on the "structure-stability" relationship. Furthermore, multispectral and molecular computing simulations are used as the chief instruments to explore the interaction's mechanism. During processing and storage, the stability of anthocyanins is generally influenced by the adverse characteristics of food and beverage, including temperature, light, oxygen, enzymes, pH. While the action modes and types between protein/polysaccharide and anthocyanins mainly depend on their structures, the noncovalent interaction between them is the key intermolecular force that increases the stability of anthocyanins. Our goal is to provide the latest understanding of the stability of anthocyanins under food processing conditions and further improve their utilization in food industries.
“…Also, the selectivity of SFC‐based methods can be tuned via controlling column pressure and column temperature 6 . SFC combined with mass spectrometry (MS) has extended its application to many new research fields including bio‐analysis, metabolomics, drug, plant, food, and environmental analysis 21–31 . For instance, Ishibashi et al reported a high throughput simultaneous analysis of more than 400 pesticides in food samples using SFC combined with high‐resolution mass spectrometry (HRMS) 32 .…”
The packed column supercritical fluid chromatography has risen as a promising alternative separation technique to the conventional liquid chromatography and gas chromatography. Although the packed column supercritical fluid chromatography has many advantages compared to other chromatographic techniques, its separation mechanism is not fully understood due to the complex combination effects of many chromatographic parameters on separation quality and the lacking of global strategies for studying separation mechanisms. This review aims to provide recent information regarding the chromatographic behaviors and the effects of the parameters on the separation, discuss the results, and point out the remaining bottlenecks in the packed column supercritical fluid chromatography retention mechanism studies.
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