Cytoprotective Potential of Aged Garlic Extract (AGE) and Its Active Constituent,S-allyl-l-cysteine,in Presence of Carvedilol during Isoproterenol-Induced Myocardial Disturbance and Metabolic Derangements in Rats

This study was conducted to determine the potential interaction of aged garlic extract (AGE) with carvedilol (CAR), as well as to investigate the role of S-allyl-l-cysteine (SAC), an active constituent of AGE, in rats with isoproterenol (ISO)-induced myocardial dysfunction. At the end of three weeks of treatment with AGE (2 and 5 mL/kg) or SAC (13.1 and 32.76 mg/kg), either alone or along with CAR (10 mg/kg) in the respective groups of animals, ISO was administered subcutaneously to induce myocardial damage. Myocardial infarction (MI) diagnostic predictor enzymes, lactate dehydrogenase (LDH) and creatinine kinase (CK-MB), were measured in both serum and heart tissue homogenates (HTH). Superoxide dismutase (SOD), catalase, and thiobarbituric acid reactive species (TBARS) were estimated in HTH. When compared with other groups, the combined therapy of high doses of AGE and SAC given alone or together with CAR caused a significant decrease in serum LDH and CK-MB activities. Further, significant rise in the LDH and CK-MB activities in HTH was noticed in the combined groups of AGE and SAC with CAR. It was also observed that both doses of AGE and SAC significantly increased endogenous antioxidants in HTH. Furthermore, histopathological observations corroborated the biochemical findings. The cytoprotective potential of SAC and AGE were dose-dependent, and SAC was more potent than AGE. The protection offered by aged garlic may be attributed to SAC. Overall, the results indicated that a high dose of AGE and its constituent SAC, when combined with carvedilol, has a synergistic effect in preventing morphological and physiological changes in the myocardium during ISO-induced myocardial damage.     

Evolution detection of phenol by pristine BN nanocone: chemical quantum study

Structural Chemistry - In order to evaluate the electrical response of boron nitride nanocones (BNNCs) to phenol gas, density functional theory (DFT) calculations are employed. The sensitivity and...     

Intra-uterine particle–fluid motion through a compliant asymmetric tapered channel with heat transfer

Journal of Thermal Analysis and Calorimetry - In this article, the intra-uterine flow with small suspended particles under the impact of heat transfer is investigated. Intra-uterine fluid motion...     

Electronic structure and magnetic properties of rare-earth perovskite gallates from first principles

The density functional calculation is performed for centrosymmetric(La–Pm) GaO_3 rare earth gallates, using a full potential linear augmented plane wave method with the LSDA and LSDA+U exchange correlation to treat highly correlated electrons due to the very localized 4f orbitals of rare earth elements, and explore the influence of U = 0.478 Ry on the magnetic phase stability and the densities of states. LSDA+U calculation shows that the ferromagnetic(FM) state of RGaO_3 is energetically more favorable than the anti-ferromagnetic(AFM) one, except for LaGaO_3 where the NM state is the lowest in energy. The energy band gaps of RGaO_3 are found to be in the range of 3.8–4.0 eV, indicating the semiconductor character with a large gap.     

Polyphenol Rich Ajuga bracteosa Transgenic Regenerants Display Better Pharmacological Potential

Ajuga bracteosa Wall. ex Benth. is an endangered medicinal herb traditionally used against different ailments. The present study aimed to create new insight into the fundamental mechanisms of genetic transformation and the biological activities of this plant. We transformed the A. bracteosa plant with rol genes of Agrobacterium rhizogenes and raised the regenerants from the hairy roots. These transgenic regenerants were screened for in vitro antioxidant activities, a range of in vivo assays, elemental analysis, polyphenol content, and different phytochemicals found through HPLC. Among 18 polyphenolic standards, kaempferol was most abundant in all transgenic lines. Furthermore, transgenic line 3 (ABRL3) showed maximum phenolics and flavonoids content among all tested plant extracts. ABRL3 also demonstrated the highest total antioxidant capacity (8.16 ± 1 μg AAE/mg), total reducing power, (6.60 ± 1.17 μg AAE/mg), DPPH activity (IC50 = 59.5 ± 0.8 μg/mL), hydroxyl ion scavenging (IC50 = 122.5 ± 0.90 μg/mL), and iron-chelating power (IC50 = 154.8 ± 2 μg/mL). Moreover, transformed plant extracts produced significant analgesic, anti-inflammatory, anticoagulant, and antidepressant activities in BALB/c mice models. In conclusion, transgenic regenerants of A. bracteosa pose better antioxidant and pharmacological properties under the effect of rol genes as compared to wild-type plants.     

Nonisothermal crystallisation kinetics of amorphous selenium prepared by high-energy ball milling: A comparison with the melt-quenching and thin-film techniques

Differential scanning calorimetry (DSC) studies were performed under nonisothermal conditions at various heating rates for glassy Se made by high-energy ball milling. Comparisons were made between the ball-milling technique and the melt-quenching and thin-film techniques. Well-defined endothermic and exothermic peaks were observed at the glass-transition temperature, T_g, and the onset temperature of crystallisation, T_c. The isoconversional method of Vyazovkin was used to determine the variation in the activation energy for crystallisation with temperature, E_α(T). The value of E_α(T) was dependent on the sample preparation method. The thermal stability of the Se glasses was evaluated by calculation of the temperature difference (T_c ? T_g) and the S-parameter. In addition, the glass-forming ability was estimated by the criteria of reduced glass-transition temperature, T_rg, and the Hruby number, H_R. The structures of the Se samples that resulted from the DSC analysis were identified using an X-ray diffractometer. The glasses formed using the thin film technique were the most stable.     

Preparation and optical properties of novel symmetrical hexadecachlorinatedphthalocyaninato zinc(II) spin coated thin films

Novel symmetrical 1,4,8,11,15,18,22,25-octahexyloxy-2,3,9,10,16,17,23,24-octa-(3,5- dichlorophenoxy)phthalocyaninato zinc(II) was synthesized and characterized by ¹H NMR, ¹³C NMR, MS, UV–Vis, XRD, and IR spectrometry. The synthesized ZnPc complex is soluble in various organic solvents such as CH₂Cl₂, THF, acetone, and ethyl acetate. This property helped to obtain thin films of the new ZnPc complex by spin coating method. The surface morphology of the thin films was investigated by atomic force microscopy, AFM, and showed that the molecules grow in stacks of rows. The spectrophotometric measurements of transmittance (T) and reflectance (R) spectra were carried out in the wavelength range 190–3000 nm.     

Nonisothermal crystallization kinetics of amorphous Te51.3As45.7Cu3

The structure and kinetics of the crystallization reaction of amorphous Te_51.3As_45.7Cu₃ were studied under nonisothermal conditions using scanning electron microscopy (SEM) and differential scanning calorimetry (DSC). Two exothermic changes were reported. Five isoconversional methods, of Kissinger–Akahira–Sunose (KAS), Flynn–Wall–Ozawa (FWO), Tang, Starink, and Vyazovkin, were used to determine the variation of the activation energy for crystallization with temperature, E(T). The results show that the activation energy for crystallization associated with the first peak first decreases with increasing temperature and then increases. Different behaviour was observed for the second peak, where an increase of E with temperature followed by a decrease. The effect of heating rate on the reaction model, g(), was also different for the two crystallization peaks.     

New Mononuclear and Binuclear Cu(II), Co(II), Ni(II), and Zn(II) Thiosemicarbazone Complexes with Potential Biological Activity: Antimicrobial and Molecular Docking Study

Herein, we report the synthesis of eight new mononuclear and binuclear Co²⁺, Ni²⁺, Cu²⁺, and Zn²⁺ methoxy thiosemicarbazone (MTSC) complexes aiming at obtaining thiosemicarbazone complex with potent biological activity. The structure of the MTSC ligand and its metal complexes was fully characterized by elemental analysis, spectroscopic techniques (NMR, FTIR, UV-Vis), molar conductivity, thermogravimetric analysis (TG), and thermal differential analysis (DrTGA). The spectral and analytical data revealed that the obtained thiosemicarbazone-metal complexes have octahedral geometry around the metal center, except for the Zn²⁺-thiosemicarbazone complexes, which showed a tetrahedral geometry. The antibacterial and antifungal activities of the MTSC ligand and its (Co²⁺, Ni²⁺, Cu²⁺, and Zn²⁺) metal complexes were also investigated. Interestingly, the antibacterial activity of MTSC- metal complexes against examined bacteria was higher than that of the MTSC alone, which indicates that metal complexation improved the antibacterial activity of the parent ligand. Among different metal complexes, the MTSC- mono- and binuclear Cu²⁺ complexes showed significant antibacterial activity against Bacillus subtilis and Proteus vulgaris, better than that of the standard gentamycin drug. The in silico molecular docking study has revealed that the MTSC ligand could be a potential inhibitor for the oxidoreductase protein.     

Synthesis,Anticancer Screening of Some Novel Trimethoxy Quinazolines and VEGFR2, EGFR Tyrosine Kinase Inhibitors Assay; Molecular Docking Studies

A new series of 8-methoxy-2-trimethoxyphenyl-3-substituted quinazoline-4(3)-one compounds were designed, synthesized, and screened for antitumor activity against three cell lines, namely, Hela, A549, and MDA compared to docetaxel as reference drug. The molecular docking was performed using Autodock Vina program and 20 ns molecular dynamics (MD) simulation was performed using GROMACS 2018.1 software. Compound 6 was the most potent antitumor of the new synthesized compounds and was evaluated as a VEGFR2 and EGFR inhibitor with (IC50, 98.1 and 106 nM respectively) compared to docetaxel (IC50, 89.3 and 56.1 nM respectively). Compounds 2, 6, 10, and 8 showed strong cytotoxic activities against the Hela cell line with IC50 of, 2.13, 2.8, 3.98, and 4.94 µM, respectively, relative to docetaxel (IC50, 9.65 µM). Compound 11 showed strong cytotoxic activity against A549 cell line (IC50, 4.03 µM) relative to docetaxel (IC50, 10.8 µM). Whereas compounds 6 and 9 showed strong cytotoxic activity against MDA cell line (IC50, 0.79, 3.42 µM, respectively) as compared to docetaxel (IC50, 3.98 µM).