Ethylenediammonium-Dicarboxylate Salts and Co-Crystallization for Biological and Pharmaceutical Applications

Several ammonium type salts and co-crystals have been used in drug formulations to increase or decrease solubility, to improve stability, toxicity and also reducing the hygroscopicity of the products. Basically, a wide range of chemically diverse acidsand bases with different pKa, solubilities , molecular weight and other properties have been used for the purpose for a very long timein both drug and food formulations. In the present study, six ethylenediamminium salts containing thiocyanate and the anion derivedfrom diprotic acids namely oxalic (I), adipic (2), fumaric(3), succinic (4), azelaic (5) and sebacic (6) respectively, have been synthesized and characterized including their molecular structures. The difference in the pKa values of the acids unable the salt formation to be generalized. The molar conductivities of the salts are between 218 and 453 ohm-1cm2mol-1 with maximum value of 453 for salt (I). All the salts showed low activity against some selected bacteria and fungi and low toxicity against vero cell. The molecular structure of the salts will be presented and the biological activity will be compared with other ammonium salts

Ethyl­enediaminium hemioxalate thio­cyanate

In the title compound, C2H10N2 2+·0.5(C2O4)2−·NCS−, the ethyl­enediaminium dication adopts a (+)-synclinal conformation with an N—C—C—N torsion angle of 62.64 (15)°. The oxalate dianion lies across an inversion centre. In the crystal structure, the ions are linked through N—H⋯N, N—H⋯O and C—H⋯S hydrogen bonds, leading to the formation of a three-dimensional network

2,4-Diamino-6-methyl-1,3,5-triazin-1-ium hydrogen oxalate

The title compound, C4H8N5 +·C2HO4 −, was obtained from the reaction of oxalic acid and 2,4-diamino-6-methyl-1,3,5-triazine. The protonated triazine ring is essentially planar with a maximum deviation of 0.035 (1) Å, but the hydrogen oxalate anion is less planar, with a maximum deviation of 0.131 (1) Å for both carbonyl O atoms. In the crystal, the ions are linked by inter­molecular N—H⋯O, N—H⋯N, O—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. Weak π–π [centroid–centroid distance = 3.763 Å] and C—O⋯π inter­actions [O⋯centroid = 3.5300 (16) Å, C—O⋯centroid = 132.19 (10)°] are also present

Antimicrobial activity of a new nanobased endodontic irrigation solution: In vitro study

Aims: The purpose of this study was to introduce a nanosilver particle based endodontic irrigation solution and to evaluate its antimicrobial efficacy in comparison to 5.25% NaOCl. Materials and Methods: In an in vitro experiment the effect of the new irrigant against Enterococcus faecalis (ATCC: 29212) and Staphylococcus aureus (ATCC 25923), two most commonly isolated species of root canal space, was studied in different time intervals of 3, 5 and 15 minutes. Results: No growth of E. faecalis and S. aureus was observed in any of irrigant groups and any of different time intervals. Conclusion: These results indicate that the new irrigant is as effective as NaOCl in preventing the bacterial growth of common root canal bacteria

Rational Design of a Fluorescent Chromophore as a Calcium Receptor via DFT and Multivariate Approaches

Computational and experimental approaches were adopted to utilize a chromophore diglycolic functionalized fluorescein derivative as a Ca2+ receptor. Fluorescein diglycolic acid (Fl-DGA, 1) was synthesized and used in multivariate determination of Ca2+ and K+. Full-structure computation shows that the complexes of 1 and Ca2+ have comparable energies regardless of additional interaction with lactone moiety. The initial formation of diglycolic-Ca2+ complex followed by macrocyclization is thermodynamically disfavored. A U-shaped pre-organized 1 allows Ca2+ to interact simultaneously with diglycolic and lactone motifs. Both motifs actively participate in Ca2+ recognition and the eleven methylene units in the undecyl arm provides excellent flexibility for reorganization and optimum interaction. Principal component analysis (PCA) of computational molecular properties reveals a simple method in evaluating motifs for cation recognition. Fragment models support full-structure results that negative charge causes significant structural changes, but do not reproduce the full extent of C-O bond breaking observed in the latter. Experimental optical responses show that 1 is selective towards Ca2+ and discriminates against K+ and Mg2+. PCA of emission intensities affords distinct clusters of 0.01, 0.1 and 1 mM Ca2+ and K+, and suggests applicability of this technique for simultaneous determination of cationic plant macronutrients in precision agriculture and a wide variety of other applications

Effect of Selenium on Expression of Apoptosis-Related Genes in Cryomedia of Mice Ovary after Vitrification

Introduction. Freezing of ovarian tissue is used for preservation of fertility. The freezing-thawing process is accompanied by oxidative stress and induction of apoptosis. Apoptosis is a complex process that has been studied in animal models. The present study was aimed at investigating the effect of selenium on suppression of apoptosis during vitrification-thawing process of mice ovary via studying expression of apoptosis-related genes, and also, we aimed to design statistical models for the roles of single genes and gene-gene interactions in suppression of apoptosis. Methods. A total of 10 right ovary samples from 10 mice were randomly divided into two groups of selenium treatment (at dose 5 μg/ml sodium selenite, through adding to the media) and control group. Vitrification-thawing process was done according to the existed protocols. Real-time PCR was used for gene expression study. The apoptosis gene profile included P53, Bax, Fas, and Bcl-2. General linear model was applied to study single gene associations and gene-gene interactions. Results. From the studied genes, P53 showed a significant downregulation in the selenium group in comparison to the control group (∆∆CT=1.96; P=0.013; relative expression RE=0.28). Bcl-2 showed a significant upregulation in the selenium group in comparison to the control group (∆∆CT=−2.49; P<0.001; RE=3.49). No significant result was found for other genes. According to the multiple models, Bcl-2 showed a protective single gene association (beta=−0.33; P=0.032), and Fas∗Bcl-2 interaction was significantly positive (beta=0.19; P=0.036). Conclusion. Addition of selenium to cryomedia of vitrification-thawing process could reduce the apoptosis induced by freezing-thawing stress in mice ovary via downregulation of P53 and upregulation of Bcl-2 at transcription level. Multivariable statistical models should be performed in future researches to study biological systems