Research Article
Synthesis Hazenite from Bittern as a Source of Magnesium and Sodium
Afifah Rosyidah*
,
Flavianus Meko
Issue:
Volume 13, Issue 4, August 2025
Pages:
84-101
Received:
26 June 2025
Accepted:
11 July 2025
Published:
4 August 2025
DOI:
10.11648/j.sjc.20251304.11
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Abstract: Struvite is a magnesium ammonium phosphate hexahydrate (MAP) crystal with significant potential in agriculture as a slow-release fertilizer. Struvite and its derivatives, such as Hazenite, Struvite-K, and Struvite-Na, can form through specific chemical reactions. Hazenite, a newly discovered mineral in the struvite group, contains two monovalent cations (Na+ and K+) and can be applied in agriculture and orthopedics. Hazenite has an orthorhombic structure with a dipyramidal crystal system and a formula weight of 276.331 g/mol. It was first discovered in Mono Lake, California, and named in honor of Robert M. Hazen. Hazenite forms biologically by microbes that precipitate this crystal when phosphorus levels in the environment increase. The precipitation of struvite and its derivatives requires magnesium, which can be sourced from alternatives like bittern, a byproduct of salt production. This study successfully synthesized Hazenite from bittern as a source of magnesium and sodium. XRD characterization revealed that Hazenite is the dominant phase in the sample, with a tubular elongated shape detected through FESEM-EDX. Using Response Surface Methodology (RSM) with a Box-Behnken Design (BBD), optimal conditions for Hazenite production were identified: pH 11.0 - 11.5, reaction time 45 - 50 minutes, and Mg:Na:PO4 molar ratios of 1:1:1 - 1.2:1.2:1 or 1.8:1.8:1 - 2:2:1. These conditions yielded the highest Hazenite percentage (>95%).
Abstract: Struvite is a magnesium ammonium phosphate hexahydrate (MAP) crystal with significant potential in agriculture as a slow-release fertilizer. Struvite and its derivatives, such as Hazenite, Struvite-K, and Struvite-Na, can form through specific chemical reactions. Hazenite, a newly discovered mineral in the struvite group, contains two monovalent ca...
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Research Article
Computer-aided Design of Coumarin Inhibitors of Quinone Oxidoreductase-1 (NQO1) with a Favorable Pharmacokinetic Profile
Honoré Kouadio Yao,
Akoun Abou,
Abdoulaye Djandé,
Niaré Adama*,
Megnassan Eugène,
Issouf Soro
Issue:
Volume 13, Issue 4, August 2025
Pages:
102-121
Received:
30 June 2025
Accepted:
14 July 2025
Published:
4 August 2025
DOI:
10.11648/j.sjc.20251304.12
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Abstract: Over the last ten years, cancer therapies have struggled with drug resistance. In this report, we explore new coumarin (COU) compounds designed to inhibit the enzyme NQO1, which shows potential for effective treatment due to their favorable predicted drug properties. Three-dimensional (3D) models of NQO1-COUx complexes were generated through in situ modifications of the crystal structure of NQO1-COU12 (PDB entry code: 3JSX), which served as the reference compound for a training set of of 22 and a validation set of 6 VCOUs with known experimental inhibitory potencies. To identify the active conformation of COU1-22, we developed a gas-phase quantitative structure-activity relationship (QSAR) model that established a linear correlation between the calculated enthalpy of NQO1-COU complex formation and the values of experimental activities. Subsequently, we screened the Virtual Compound Library (VCL) using Lipinski's Rule of Five and the PH4 model, then assessed the potency of the new COU analogues using the retained QSAR model. The pharmacokinetic profile of the analogues obtained was also evaluated using the linear correlation equation derived from the QSAR model. The coefficient of determination (R²), the Leave One Out (LOO) cross-validated Squared and the Standard error of regression σ for this equation are 0.91, 0.94 and 0.14, respectively, thus revealing the high predictive power of this model. Similarly, the PH4 model, with a correlation coefficient of 0.91, demonstrated robust predictive power. A comprehensive screening of the COU virtual analogue library yielded a total of 63 drug candidates with oral bioavailability, among which the most promising compounds exhibited a predicted potency of 12.22 and a favorable pharmacokinetic profile. The integration of Quantitative Structure-Activity Relationship (QSAR) techniques and in silico screening, based on the PH4 model, has enabled us to propose potent anticancer candidates with optimal pharmacokinetic profiles.
Abstract: Over the last ten years, cancer therapies have struggled with drug resistance. In this report, we explore new coumarin (COU) compounds designed to inhibit the enzyme NQO1, which shows potential for effective treatment due to their favorable predicted drug properties. Three-dimensional (3D) models of NQO1-COUx complexes were generated through in sit...
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