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Chemical Methodologies

Publisher:
—
ISSN:
2645-7776
Category:
CHEMISTRY, MULTIDISCIPLINARY
Impact factor:
3.5

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5 parsed articles

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Latest articles

A versatile approach for evaluation of Linagliptin and Metformin extended-release tablet by drug layering technique

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Type 2 diabetes, a chronic metabolic condition characterized by hyperglycemia, frequently requires combination medication to maintain optimal glycemic control. Metformin, a biguanide, and linagliptin, a dipeptidyl peptidase-4 (DPP-4) inhibitor, have shown synergistic effects in improving glycemic outcomes. A unique and effective strategy for improving patient compliance and ensuring prolonged medication administration is to formulate a fixed-dose combination (FDC) as an extended-release (ER) tablet utilizing the drug layering technique. Creating a single extended-release (ER) tablet containing both medications can improve patient compliance by minimizing pill burden and ensuring consistent drug levels. The drug layering technique offers a possible strategy to develop such a combination product. This article covers how to formulate, optimize, and evaluate Linagliptin and Metformin ER tablets using this technique. The current work focuses on the formulation and optimization of extended-release (ER) bilayer tablets comprising Linagliptin and Metformin Hydrochloride, which employ a drug stacking approach. A bilayer tablet was developed with an immediate-release (IR) layer of Linagliptin and an extended-release layer of Metformin. The formulation approach required stacking Linagliptin onto inert cores with an appropriate binder solution in a fluid bed processor to ensure consistency and quick release. The extended-release Metformin layer was formulated with hydrophilic matrix-forming agents such Hydroxypropyl Methylcellulose (HPMC) to achieve regulated drug release over 12-24 hours. The developed tablets were evaluated for physicochemical properties, drug release profiles, and stability in accordance with ICH recommendations. In vitro dissolution experiments revealed a biphasic release profile—rapid release of Linagliptin and sustained release of Metformin—which met USP criteria.

Thermodynamical Stability and Deposition of High-entropy MoNbTaTiZr Coating from a Composite Target

Date unavailable

Biocompatible high-entropy alloys (HEAs), such as the Mo-Nb-Ta-Ti-Zr system, are promising materials for medical implant applications. While the properties of bulk materials of these alloys have been extensively studied, their applications as coatings remain a prospective area of investigation. Achieving a specific stoichiometry, which is critical for these alloys, can be accomplished by magnetron sputtering method using a segmented target. In this study, the mixing entropy (∆Smix), mixing enthalpy (, atomic size difference , and valence electron concentration (VEC) were calculated to evaluate the alloy's stability. An empirical equation was employed to calculate the sputtering yields of Mo, Nb, Ta, Ti, and Zr. The theoretical results were compared with experimental data. Based on these findings, a segmented target was fabricated and utilized to deposit a MoNbTaTiZr high-entropy alloy coating.

Ni–Zn MOF-74 Coated Nickel Foam: QSPR-Validated High-Performance Electrocatalyst for Alkaline Oxygen Evolution

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It is also critical to develop highly efficient, cost-competitive, and stable electrocatalysts that facilitate the oxygen evolution reaction (OER) to promote sustainable hydrogen production. In this work, a bimetallic nickel–zinc metal–organic framework (MOF-74) was synthesized and in situ grown on nickel foam (NF) via solvothermal reaction to construct an NF-based binder-free electrode. The resultant Ni–Zn MOF-74/NF exhibited optimized OER performance, with 45 mA cm⁻² at 1.6 V versus the reversible hydrogen electrode (RHE), a small Tafel slope of 72 mV dec⁻¹, and superior stability in long-term operation of 6 hours at 1.55 V versus RHE in a 0.1 M KOH solution. The Ni–Zn MOF-74/NF electrode shows enhanced OER activity and an increase in electrochemical surface area, indicated by 40–80 times higher Cdl (20–40 mF cm⁻²) than the bare Ni foam (0.49 mF cm⁻²). Electrochemical impedance spectroscopy (EIS) provided clear evidence of a marked reduction in charge-transfer resistance and rapid electron transfer at the MOF–NF interface. In addition, quantitative structure–property relationship (QSPR) modeling was employed to establish correlations between structural parameters—void fraction (VF), framework density (ρ), and largest cavity diameter (LCD)—and accessible surface area (ASA). This model demonstrated strong predictive ability (R²_train = 0.915, R²_test = 0.932) and identified VF as significantly impacting ASA and OER performance. Synergistic incorporation of Zn altered the electronic environment around Ni centers and increased porosity, thereby enhancing the formation of high-valence Ni species and optimizing OH⁻ and O₂ desorption. This experimental–theoretical study illuminates a rational design pathway for preparing high-performance MOF-based electrocatalysts.

Antituberculosis Activity of Cu(II) and Zn(II) Alanine-Tyrosine Dithiocarbamate Complexes: Synthesis, Characterization, In Vitro, and In Silico Studies

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Tuberculosis is one of the deadliest infectious diseases caused by Mycobacterium tuberculosis. The challenge of combating is further compounded by drug resistance, which complicates treatment. A novel class of antituberculosis candidates is introduced in this study, consisting of metal complexes bearing alanine-tyrosine-based dithiocarbamate ligands. Copper(II) and zinc(II) complexes of alanine-tyrosine dithiocarbamate were successfully synthesized, and the characterization results confirmed their formation by revealing distinctive features of dithiocarbamate compounds and their metal complexes. Qualitative assessment of in vitro antituberculosis activity revealed that both complexes inhibited the growth of M. tuberculosis H37Rv on Lowenstein-Jensen medium, with inhibition profiles qualitatively similar to those of isoniazid. In silico studies through molecular docking showed interactions between both complexes and the target protein, with docking scores of -86.6987 (Cu) and -89.0140 (Zn). Additionally, the fulfillment of Lipinski's rule and ADMET profile supported the pharmacological potential of the compounds. These findings suggest that Cu(II)AlaTyrDtc and Zn(II)AlaTyrDtc have potential as antituberculosis drug candidates.

Immunoinformatics-Based Design of a Multiepitope Vaccine Candidate Against Jembrana Disease Virus: Protein Expression in Escherichia coli BL21, Molecular Docking, and Molecular Dynamics Simulation

Date unavailable

Jembrana disease virus (JDV) remains a major threat to Bali cattle, while currently available inactivated vaccines provide only limited and short-term protection. This study applied an integrated immunoinformatics and molecular simulation approach to design and evaluate a multiepitope vaccine candidate against JDV. B-cell, cytotoxic T lymphocyte (CTL), and helper T lymphocyte (HTL) epitopes were predicted from the capsid (CA) and transmembrane (TM) proteins and assembled into a 309-amino-acid construct incorporating the 50S ribosomal protein L7/L12 as a TLR4-targeting adjuvant. Structural modeling and validation confirmed the reliability and stereochemical quality of the three-dimensional structure. Physicochemical and immunological analyses indicated that the construct was stable, hydrophilic, antigenic, non-allergenic, and non-toxic. Molecular docking demonstrated favorable binding affinity between the vaccine construct and the TLR4 receptor. Molecular dynamics simulations further supported complex stability, as reflected by acceptable RMSF values and limited residue fluctuation at the binding interface. In silico immune simulations predicted strong humoral and cellular immune responses, characterized by elevated IgM and IgG antibody titers, expansion of B- and T-lymphocyte populations, and the formation of memory cells following booster administrations. Codon optimization and in silico cloning confirmed compatibility with the pET-28b (+) expression system. Recombinant protein expression in Escherichia coli BL21 (DE3) was validated by molecular analysis and SDS–PAGE, revealing a protein of approximately 35.17 kDa predominantly in soluble form.These findings highlight the potential of the proposed multiepitope construct as a promising JDV vaccine candidate and support further experimental validation.