Thermodynamic Solubility Profile of Temozolomide in Different Commonly Used Pharmaceutical Solvents

The solubility parameters, and solution thermodynamics of temozolomide (TMZ) in 10 frequently used solvents were examined at five different temperatures. The maximum mole fraction solubility of TMZ was ascertained in dimethyl sulfoxide (1.35 × 10⁻²), followed by that in polyethylene glycol-400 (3.32 × 10⁻³) > Transcutol^® (2.89 × 10⁻³) > ethylene glycol (1.64 × 10⁻³) > propylene glycol (1.47 × 10⁻³) > H₂O (7.70 × 10⁻⁴) > ethyl acetate (5.44 × 10⁻⁴) > ethanol (1.80 × 10⁻⁴) > isopropyl alcohol (1.32 × 10⁻⁴) > 1-butanol (1.07 × 10⁻⁴) at 323.2 K. An analogous pattern was also observed for the other investigated temperatures. The quantitated TMZ solubility values were regressed using Apelblat and Van’t Hoff models and showed overall deviances of 0.96% and 1.33%, respectively. Apparent thermodynamic analysis indicated endothermic, spontaneous, and entropy-driven dissolution of TMZ in all solvents. TMZ solubility data may help to formulate dosage forms, recrystallize, purify, and extract/separate TMZ.     

In situ bioconversion of compactin to pravastatin by Actinomadura species in fermentation broth of Penicillium citrinum

The biocatalytic production of pravastatin from compactin by hydroxylation has found many applications in health care and pharmaceuticals. Actinomadura macra, Actinomadura madurae, and Actinomadura livida can efficiently bioconvert compactin to pravastatin. The fermentation broth (Penicillium citrinum fermented media) harvested on the eighth day contained 388.90 mg L^?1 of compactin and an undetectable level of mycotoxin (citrinin). Bioconversion by A. macra was highest (87 %) in the yeast extract-amended medium. The anti-actinomadura effects of citrinin reduce the bioconversion capacity of Actinomadura. The in situ hydroxylation of compactin produced by P. citrinum represents a preferable alternative for the use of purified compactin, as a way to reduce cost and time processing.     

Crystal structure of a silver(I) complex {[Ag(N-methylthiourea)2]NO3}n exhibiting infinite chains of AgS4 tetrahedra

A polymeric silver(I) complex, bis(N-methylthiourea)silver(I) nitrate, {[Ag(Metu)₂]NO₃} _n is prepared and its crystal structure is determined. The compound crystallizes in the monoclinic C2/c space group. In the structure, distorted AgS₄ tetrahedra are linked through the sulfur atoms of the Metu ligand to form isolated infinite chains of the type [Ag(SR)₂] _n ⁿ⁺. The cationic chains are separated from each other by nitrate ions that do not coordinate to the metal ion. The chains are bridged via N-H...O hydrogen bonds involving the nitrate ions. The complex exhibits an Ag—Ag separation of ∼3.21 ? indicating the existence of significant argentophilic interactions. An upfield shift in the >C=S resonance of Metu in ¹³C NMR and downfield shift in the N-H resonance in ¹H NMR are consistent with sulfur coordination to silver(I).     

Study of Hadrons Produced in Proton—Carbon Interactions at 120 GeV/c Using Hadron-Production Models

Physics of Atomic Nuclei - Double differential yield of π±, K±, protons, and antiprotons as a function of laboratory momentum is presented using hadron production models. This study...     

Cyclic Se6 and helical infinity1[Sex] as neutral ligands in the new compounds PdBr2Se6 and PdCl2Se8

PdBr2Se6 and PdCl2Se8 are two new compounds with cyclic Se6 coordinated to PdBr2 molecules and one-dimensional helical Sex chains coordinated to PdCl2 molecules. PdBr2Se6 is a black solid with a crystal structure similar, but not equal, to PdCl2Se6. It crystallizes in the space group P1 with the lattice constants a = 4.3946(8) A, b = 7.605(1) A, c = 7.992(2) A, alpha = 66.15(2) degrees , beta = 86.44(2) degrees , gamma = 80.90(2) degrees , and Z = 1 and can be handled in air like the deep red PdCl2Se8 which crystallizes in the orthorhombic space group Pbca with the lattice constants a = 9.609(2) A, b = 8.958(2) A, c = 13.799(3) A, and Z = 4. In PdBr2Se6, two cyclic Se6 molecules (chair conformation) are directly coordinated to Pd atoms, forming Pd(Se6)2Br2 groups. These are connected to one-dimensional chains via trans-standing Se atoms. In PdCl2Se8, the selenium substructure consists of helical chains with every fifth Se atom directly coordinated to the Pd atom of a PdCl2 group. Each PdCl2 group on the other hand connects two neighboring Sex helices. The type of Sex helix found for this compound is unique and differs from all other ones reported up to now including elemental alpha-Se. A reproducible twinning observed for PdBr2Se6 crystals in the course of the X-ray single-crystal investigations is checked by transmission electron microscopy in connection with details of the atomic arrangement. The Raman spectra of PdBr2Se6 and PdCl2Se8 are compared to Raman data of elemental Se modifications and give significant support for the Se6 and helical Sex to be neutral molecules. A discussion of the results of thermal analyses gives clear evidence that cyclic Se6 and helical Sex are considerably stabilized by bonding to the PdX2 molecules because the melting temperatures of the composite materials are significantly higher than the ones of the respective elemental modifications.     

Production of Functional Buttermilk and Soymilk Using Pediococcus acidilactici BD16 (alaD+)

Functional foods or drinks prepared using lactic acid bacteria (LAB) have recently gained considerable attention because they can offer additional nutritional and health benefits. The present study aimed to develop functional drinks by the fermentation of buttermilk and soymilk preparations using the Pediococcus acidilactici BD16 (alaD⁺) strain expressing the L-alanine dehydrogenase enzyme. LAB fermentation was carried out for 24 h and its impact on the physicochemical and quality attributes of the fermented drinks was evaluated. Levels of total antioxidants, phenolics, flavonoids, and especially L-alanine enhanced significantly after LAB fermentation. Further, GC-MS-based metabolomic fingerprinting was performed to identify the presence of bioactive metabolites such as 1,2-benzenedicarboxylic acid, 1-dodecene, 2-aminononadecane, 3-octadecene, 4-octen-3-one, acetic acid, azanonane, benzaldehyde, benzoic acid, chloroacetic acid, colchicine, heptadecanenitrile, hexadecanal, quercetin, and triacontane, which could be accountable for the improvement of organoleptic attributes and health benefits of the drinks. Meanwhile, the levels of certain undesirable metabolites such as 1-pentadecene, 2-bromopropionic acid, 8-heptadecene, formic acid, and propionic acid, which impart bitterness, rancidity, and unpleasant odor to the fermented drinks, were reduced considerably after LAB fermentation. This study is probably the first of its kind that highlights the application of P. acidilactici BD16 (alaD⁺) as a starter culture candidate for the production of functional buttermilk and soymilk.     

An In Silico Investigation to Explore Anti-Cancer Potential of Foeniculum vulgare Mill. Phytoconstituents for the Management of Human Breast Cancer

Breast cancer is one of the most prevalent cancers in the world. Traditionally, medicinal plants have been used to cure various types of diseases and disorders. Based on a literature survey, the current study was undertaken to explore the anticancer potential of Foeniculum vulgare Mill. phytoconstituents against breast cancer target protein (PDB ID: 6CHZ) by the molecular docking technique. Molecular docking was done using Autodock/vina software. Toxicity was predicted by the Protox II server and drug likeness was predicted by Molinspiration. 100 ns MD simulation of the best protein-ligand complexes were done using the Amber 18 tool. The present molecular docking investigation has revealed that among the 40 selected phytoconstituents of F. vulgare, α-pinene and D-limonene showed best binding energy (−6 and −5.9 kcal/mol respectively) with the breast cancer target. α-Pinene and D-limonene followed all the parameters of toxicity, and 100 ns MD simulations of α-pinene and D-limonene complexes with 6CHZ were found to be stable. α-Pinene and D-limonene can be used as new therapeutic agents to cure breast cancer.