Chemical elements of Algerian Mentha spicata L. used in the treatment of digestive system disorders by employing instrumental neutron activation analysis technique

Journal of Radioanalytical and Nuclear Chemistry - The objectives of this research were to study the elemental concentrations of Mentha spicata L., using a sensitive nuclear analytical technique...     

Novel and sensitive UPLC–MS/MS method for quantification of sofosbuvir in human plasma: application to a bioequivalence study

A novel and sensitive LC–MS/MS method was developed and validated for determination of sofosbuvir (SF) using eplerenone as an internal standard. The Xevo TQD LC–MS/MS was operated under the multiple‐reaction monitoring mode using electrospray ionization. Extraction with tert‐butyl methyl ether was used in sample preparation. The prepared samples were chromatographed on Acquity UPLC BEH C₁₈ (50 × 2.1 mm, 1.7 μm) column by pumping 0.1% formic acid and acetonitrile in an isocratic mode at a flow rate of 0.35 mL/min. Method validation was performed as per the US Food and Drug Administration guidelines and the standard curves were found to be linear in the range of 0.25–3500 ng/mL for SF. The intra‐ and inter‐day precision and accuracy results were within the acceptable limits. A very short run time of 1 min made it possible to analyze more than 500 human plasma samples per day. A very low quantification limit of SF allowed the applicability of the developed method for determination of SF in a bioequivalence study in human volunteers. Copyright © 2016 John Wiley & Sons, Ltd.     

Prescriptive analytics for FIFA World Cup lodging capacity planning

The FIFA World Cup, comprising sixty-four matches spanning an entire month, has, in recent years, been attended by about three million spectators of which over half a million are visitors requiring lodging. Planning lodging capacity for an event of this magnitude is necessary for host nations where pre-existing infrastructures are either inadequate or lacking. This paper develops an optimization analytics framework that sequentially employs two integer programming models for foreign spectator analysis and the consequent lodging requirements. The framework is applied to assess the preparedness of lodging infrastructure in Qatar for FIFA 2022.     

Enhanced process development using automated continuous reactors by self-optimisation algorithms and statistical empirical modelling

Reaction optimisation and understanding is fundamental for process development and is achieved using a variety of techniques. This paper explores the use of self-optimisation and experimental design as a tandem approach to reaction optimisation. A Claisen-Schmidt condensation was optimised using a branch and fit minimising algorithm, with the resulting data being used to fit a response surface model. The model was then applied to find new responses for different metrics, highlighting the most important for process development purposes.     

Synthesis of New Pyrazolo[1.5.4-de]quinoxalines

New pyrazolo[1.5.4-de]quinoxaline derivatives were prepared by the action of 7-aminoindazole 1 on diethyl and dimethyl acetylene dicarboxylates. The structures of the obtained compounds and the direction of cyclization were investigated through a crystallographic study of compound 2. Further alkylation, hydrogenation, and bromination were also explored. The action of potassium thiocyanate on the obtained halo product led to a tetracyclic compound of 1.3-thiazolo[3.4-a]pyrazolo[1.5.4-de]quinoxaline series.     

Synthesis of high-performance superabsorbent glycerol acrylate-cross-linked poly (acrylic acid)

Glycerol acrylate (GA) is synthesised by an acryloylation reaction with acryloyl chloride. An ester was used as a cross-linking agent at varying proportions in the synthesis of poly acrylic acid (PAA). The amount of cross-linking density in the product (GA-PAA) and degree of neutralisation determine the absorbency of the polymer samples. A sample of GA-PAA containing 0.8 % GA was discovered to absorb 395 and 66 g/g of water and saline solution, respectively. Different solvent uptakes were tested with the sample showing varying capacity for different solvents. The temperature of the reaction was maintained at 60 °C and a reaction time of 2½ h. FTIR, TGA, SEM and XRD analyses were used to characterise the products.     

A theoretical evidence for cooperativity effects in fluorine-centered halogen bonds: linear (FCN)2–7 and (FNC)2–7 clusters

A theoretical investigation was performed to study cooperative effects in fluorine-centered halogen bond interactions. We investigated geometry, strength, and origin of the interactions in linear (FCN)_2–7 and (FNC)_2–7 clusters by means of MP2 and CCSD(T) methods. Our results strongly suggest that cooperative effects induced by fluorine-centered halogen bonds are significant in both linear FCN and FNC clusters. CCSD(T)/6-311++G** calculations reveal that for (FCN)_2–7 clusters, the average halogen-bonding energy per monomer increases from ?0.76 kcal/mol in dimer to ?0.92 kcal/mol in heptamer. The results of electron density analysis suggest that the capacity of the linear FCN and FNC clusters to concentrate electrons at the F···N and F···C BCPs enhance considerably with cluster size. The results also indicate that the magnitude of cooperative effects is more important for FCN than for FNC clusters. According to energy decomposition analysis, attractive electrostatic and dispersion components make the major contribution to the F···N and F···C halogen bond interactions. An acceptable correlation is found between different energy terms and total interaction energies, revealing the main role of these interactions for stability of linear (FCN) _n and (FNC) _n clusters.     

Comparative High-Performance Liquid Chromatographic and High-Performance Thin-Layer Chromatographic Study for the Simultaneous Determination of Dapagliflozin and Metformin Hydrochloride in Bulk and Pharmaceutical Formulation

JPC – Journal of Planar Chromatography – Modern TLC - The discovery of potent antidiabetic drugs is of necessity owing to the rapid prevalence of diabetes worldwide. The investigation...