2-Chloro-7,8-dimethyl­quinoline-3-carbaldehyde

All the non-H atoms of the title compound, C12H10ClNO, lie on a crystallographic mirror plane orientated perpendicular to the crystallographic b axis

(2-Chloro-6-methyl­quinolin-3-yl)methanol

The title compound, C11H10ClNO, is close to being planar (r.m.s deviation for the non-H atoms = 0.026 Å). In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, generating C(2) chains, and weak C—H⋯π inter­actions and aromatic π–π stacking inter­actions [centroid–centroid distance = 3.713 (3) Å] help to consolidate the structure

1-{6-Chloro-2-[(2-chloro-6-methyl­quinolin-3-yl)meth­oxy]-4-phenyl­quinolin-3-yl}ethanone

In the title compound, C28H20Cl2N2O2, the 2-chloro­quinoline and 6-chloro­quinoline ring systems are twisted slightly, making a dihedral angle of 4.05 (3)°. The dihedral angle between the 2-quinoline ring system and the phenyl ring attached to it is 74.43 (5)°. In the crystal structure, a pair of inter­molecular C—H⋯O hydrogen bonds connect the mol­ecules, forming centrosymmetric dimers with R 2 2(16) motifs. The dimers are further consolidated by a C—H⋯π inter­action and a π–π stacking inter­action with a centroid–centroid distance of 3.6562 (10) Å

1-[(2-Chloro-7-methyl-3-quinol­yl)meth­yl]pyridin-2(1H)-one

In the title compound, C16H13ClN2O, the quinoline ring system is essentially planar, with a maximum deviation of 0.021 (2) Å. The pyridone ring is oriented at a dihedral angle of 85.93 (6)° with respect to the quinoline ring system. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules along the b axis. Weak π–π stacking inter­actions [centroid–centroid distances = 3.7218 (9) and 3.6083 (9) Å] are also observed

1-[(2-Chloro-8-methyl­quinolin-3-yl)­meth­yl]pyridin-2(1H)-one

In the title compound, C16H13ClN2O, the quinoline ring system is approximately planar [maximum deviation 0.021 (2) Å] and forms a dihedral angle of 85.93 (6)° with the pyridone ring. Inter­molecular C—H⋯O hydrogen bonding, together with weak C—H⋯π and π–π inter­actions [centroid-to-centroid distances 3.5533 (9) and 3.7793 (9) Å], characterize the crystal structure

Adsorption behavior of lead onto a new class of functionalized silica gel

In this study the surface of silica gel was functionalized with 2-thiophenecarbonyl, 2-furoyl and l-proline. The synthesized materials were characterized by fourier transform infrared (FTIR) spectroscopy and scanning electron microscope (SEM) with energy dispersive X-ray analyzer (EDX). Batch adsorption studies were carried out to analyze the adsorption of the lead ion from aqueous solution. The factors influencing % adsorption of Pb(II) onto the silica gel and functionalized silica gel such as initial pH value of the Pb(II) ion solution, adsorbent dose, initial Pb(II) ion concentration, contact time and temperature were investigated. Langmuir and Freundlich isotherm models were used to determine the isotherm parameters associated with the adsorption process. Kinetic data were analyzed considering pseudo-first order, pseudo-second order and intraparticle diffusion approaches. The latter two mechanisms seem to be significant in the rate-controlling step. Negative values of Gibb's free energy change (ΔG°) showed that the adsorption was feasible and spontaneous and negative values of enthalpy change (ΔH°) confirmed exothermic adsorption

Determination of equilibrium, kinetic and thermodynamic parameters for the adsorption of Brilliant Green dye from aqueous solutions onto eggshell powder

26-31The removal of the Brilliant Green (BG) dye using hen eggshell powder (abundantly available and a total waste material) has been explored. Adsorption studies for the dye removal by eggshell powder has been carried out under varying experimental conditions of adsorbent dose, temperature, contact time, initial dye concentration and pH. The equilibrium data has been studied using the Langmuir isotherm equation. Monolayer adsorption capacity of hen eggshell powder for BG dye is found to be 44.7 mg/g, 34.23 mg/g and 30.23 mg/g at temperatures 303, 313 and 323 K respectively. The kinetic study on BG suggests that the adsorption follows the pseudo-second order kinetics. Adsorption follows both surface adsorption and intra-particle diffusion mechanisms. The Arrhenius energy of activation observed from the experimental data is found to be -15.88 kJ/mol which suggests that the energy barriers are absent in the adsorption process and the reaction is exothermic. The thermodynamic study on BG reveals that the reaction is spontaneous, exothermic and proceeds with decreased randomness at the solid-solution interface as the entropy change (-19.08 J/mol/K) is negative

MODELLING AND SIMULATION OF PWM BASED Z- SOURCE INVERTER USING MATLAB/SIMULINK

ABSTRAC

Bulbine frutescens phytochemicals as novel ABC-transporter inhibitor: a molecular docking and molecular dynamics simulation study

Aim: The present in silico study aimed to evaluate the ATP-binding cassette (ABC) transporter inhibition potential of Bulbine frutescens (B. frutescens) phytochemicals.Methods: Several previous studies and databases were used to retrieve the ligands and target protein structure. The molecular docking study was performed using the Auto Dock Tools, and the GROMACS package was applied to accomplish molecular dynamics simulation.Results: Utilizing the molecular docking and simulation approach, ~25 phytochemicals were screened against the ABC transporter protein. Docking score analysis revealed that B. frutescens phytochemical 4’-Demethylknipholone 2’-β-D-glucopyranoside exhibited strong binding on the ABC transporter protein with a minimum binding score -9.8 kcal/mol in comparison to the standard ABC transporter inhibitor diltiazem (-6.86 kcal/mol). Furthermore, molecular dynamics simulation for 4’-Demethylknipholone 2’-β-D-glucopyranoside showed an acceptable root mean square deviation, radius of gyration, root mean square fluctuation, and hydrogen bond, in addition to other lead compounds.Conclusion: The in-silico study demonstrated that B. frutescens phytochemical 4’-Demethylknipholone 2’-β-D-glucopyranoside possesses anti-drug resistance properties and requires further testing in preclinical settings

Resistance to second generation antiandrogens in prostate cancer: pathways and mechanisms

Androgen deprivation therapy targeting the androgens/androgen receptor (AR) signaling continues to be the mainstay treatment of advanced-stage prostate cancer. The use of second-generation antiandrogens, such as abiraterone acetate and enzalutamide, has improved the survival of prostate cancer patients; however, a majority of these patients progress to castration-resistant prostate cancer (CRPC). The mechanisms of resistance to antiandrogen treatments are complex, including specific mutations, alternative splicing, and amplification of oncogenic proteins resulting in dysregulation of various signaling pathways. In this review, we focus on the major mechanisms of acquired resistance to second generation antiandrogens, including AR-dependent and AR-independent resistance mechanisms as well as other resistance mechanisms leading to CRPC emergence. Evolving knowledge of resistance mechanisms to AR targeted treatments will lead to additional research on designing more effective therapies for advanced-stage prostate cancer