Unfunctionalized and Functionalized Multiwalled Carbon Nanotubes/Polyamide Nanocomposites as Selective-Layer Polysulfone Membranes

Nowadays, reverse osmosis is the most widely utilized strategy in membrane technology due to its continuous improvement. Recent studies have highlighted the importance of the surface characteristics of support layers in thin-film membranes to improve their reverse osmosis performance. In this study, interfacial polymerization was used to generate the membranes by employing polyamide as a selective layer on top of the polysulfone supporting sheet. Different membranes, varying in terms of the concentrations of unfunctionalized and functionalized multiwalled carbon nanotubes (MWCNTs), as well as ethanol, have been fabricated. The efficiency of the membrane has been increased by increasing its permeability towards water with high salt rejection. Different characterization techniques were applied to examine all of the fabricated membranes. PA-EtOH 30% (v/v), as a selective layer on polysulfone sheets to enhance the membrane’s salt rejection, was shown to be the most efficient of the suggested membranes, improving the membrane’s salt rejection. The water permeability of the polyamide membrane with EtOH 30% (v/v) was 56.18 L/m2 h bar, which was more than twice the average permeability of the polyamide membrane (23.63 L/m2 h bar). The salt rejection was also improved (from 97.73% for NaCl to 99.29% and from 97.39% for MgSO4 to 99.62% in the same condition). The PA-MWCNTs 0.15% membrane, on the other hand, had a reduced surface roughness, higher hydrophobicity, and higher water contact angle readings, according to SEM. These characteristics led to the lowest salt rejection, resulting from the hydrophobic nature of MWCNTs

Unfunctionalized and Functionalized Multiwalled Carbon Nanotubes/Polyamide Nanocomposites as Selective-Layer Polysulfone Membranes

Nowadays, reverse osmosis is the most widely utilized strategy in membrane technology due to its continuous improvement. Recent studies have highlighted the importance of the surface characteristics of support layers in thin-film membranes to improve their reverse osmosis performance. In this study, interfacial polymerization was used to generate the membranes by employing polyamide as a selective layer on top of the polysulfone supporting sheet. Different membranes, varying in terms of the concentrations of unfunctionalized and functionalized multiwalled carbon nanotubes (MWCNTs), as well as ethanol, have been fabricated. The efficiency of the membrane has been increased by increasing its permeability towards water with high salt rejection. Different characterization techniques were applied to examine all of the fabricated membranes. PA-EtOH 30% (v/v), as a selective layer on polysulfone sheets to enhance the membrane’s salt rejection, was shown to be the most efficient of the suggested membranes, improving the membrane’s salt rejection. The water permeability of the polyamide membrane with EtOH 30% (v/v) was 56.18 L/m2 h bar, which was more than twice the average permeability of the polyamide membrane (23.63 L/m2 h bar). The salt rejection was also improved (from 97.73% for NaCl to 99.29% and from 97.39% for MgSO4 to 99.62% in the same condition). The PA-MWCNTs 0.15% membrane, on the other hand, had a reduced surface roughness, higher hydrophobicity, and higher water contact angle readings, according to SEM. These characteristics led to the lowest salt rejection, resulting from the hydrophobic nature of MWCNTs

Molecular docking and biological evaluation of some thioxoquinazolin-4(3H)-one derivatives as anticancer, antioxidant and anticonvulsant agents

Abstract Background The quinazoline are an important class of medicinal compounds that possess a number of biological activities like anticancer, anticonvulsant and antioxidant etc. Results We evaluated the previously synthesized quinazoline derivatives 1–3 for their anticancer activities against three cancer cell lines (HepG2, MCF-7, and HCT-116). Among the tested compounds, quinazolines 1 and 3 were found to be more potent than the standard drug Vinblastine against HepG2 and MCF-7 cell lines. All the tested compounds had less antioxidant activity and did not exhibit any anticonvulsant activity. Also, molecular docking studies were performed to get an insight into the binding modes of the compounds with human cyclin-dependent kinase 2, butyrylcholinesterase enzyme, human gamma-aminobutyric acid receptor. These compounds showed better docking properties with the CDK2 as compared to the other two enzymes. Conclusions The overall study showed that thioxoquinazolines are suitable antitumor agents and they should be explored for other biological activities. Modification in the available lot of quinazoline and synthesis of its novel derivatives is essential to explore the potential of this class of compounds. The increase in the threat and with the emergence of drug resistance, it is important to explore and develop more efficacious drugs

Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S

C15H9FN4S, orthorhombic, Pna21 (no. 33), a = 18.9361(2) Å, b = 11.5248(1) Å, c = 6.0142(1) Å, V = 1312.52(3) Å3, Z = 4, Rgt(F) = 0.0263, wRref(F2) = 0.0706, T = 100 K.The authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for funding this work through the Research Group Project No. PRG-1436–23. We also acknowledge the financial support from Spanish Ministerio de Economía y Competitividad (MINECO-13-MAT2013–40950-R, FPI grant BES-2011–046948 to MSM-A).Peer Reviewe

A Route to Dicyanomethylene Pyridines and Substituted Benzonitriles Utilizing Malononitrile Dimer as a Precursor

Abstract: The conditions of the reaction of malononitrile dimer with enaminones and arylidenemalononitrile could be adapted to yield either pyridines or benzene derivatives. A new synthesis of pyrido[1,2-a]pyrimidines from the reaction of malononitrile dimer 1 and 2-phenyl-3-piperidin-1-yl-acrylonitrile (11) is described. Compound 1 condensed with DMFDMA to yield an enaminonitrile that reacted with hydrazine hydrate to yield N',4,6-triamino-2H-pyrazolo[3,4-b]pyridine-5-carboxamidine (1

Synthesis, Antimicrobial and Hypoglycemic Activities of Novel N-(1-Adamantyl)carbothioamide Derivatives

The reaction of 1-adamantyl isothiocyanate 4 with the various cyclic secondary amines yielded the corresponding N-(1-adamantyl)carbothioamides 5a–e, 6, 7, 8a–c and 9. Similarly, the reaction of 4 with piperazine and trans-2,5-dimethylpiperazine in 2:1 molar ratio yielded the corresponding N,N'-bis(1-adamantyl)piperazine-1,4-dicarbothioamides 10a and 10b, respectively. The reaction of N-(1-adamantyl)-4-ethoxycarbonylpiperidine-1-carbothioamide 8c with excess hydrazine hydrate yielded the target carbohydrazide 11, in addition to 4-(1-adamantyl)thiosemicarbazide 12 as a minor product. The reaction of the carbohydrazide 11 with methyl or phenyl isothiocyanate followed by heating in aqueous sodium hydroxide yielded the 1,2,4-triazole analogues 14a and 14b. The reaction of the carbohydrazide 11 with various aromatic aldehydes yielded the corresponding N'-arylideneamino derivatives 15a–g. The compounds 5a–e, 6, 7, 8a–c, 9, 10a, 10b, 14a, 14b and 15a–g were tested for in vitro antimicrobial activity against certain strains of pathogenic Gram-positive and Gram-negative bacteria and the yeast-like fungus Candida albicans. The compounds 5c, 5d, 5e, 6, 7, 10a, 10b, 15a, 15f and 15g showed potent antibacterial activity against one or more of the tested microorganisms. The oral hypoglycemic activity of compounds 5c, 6, 8b, 9, 14a and 15b was determined in streptozotocin (STZ)-induced diabetic rats. Compound 5c produced significant reduction of serum glucose levels, compared to gliclazide

Crystallographic and Theoretical Exploration of Weak Hydrogen Bonds in Arylmethyl N′-(adamantan-1-yl)piperidine-1-carbothioimidates and Molecular Docking Analysis

Crystal structures of two potential chemotherapeutic agents, namely 4-nitrobenzyl N′-(adamantan-1-yl)piperidine-1-carbothioimidate 1 and 4-bromobenzyl N′-(adamantan-1-yl)piperidine-1-carbothioimidate 2, have been analyzed in detail. X-ray analysis reveals that the molecular conformations of these compounds are strikingly different. These two structures are compared with two of their closely related structures. In the related structures, morpholine replaces piperidine. Based on the Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots, we describe the effects of piperidine/morpholine and Br/NO2 groups on the intermolecular interactions. An analysis of the CLP-PIXEL energy provides insight into the energetics of the dimers observed in the title compounds and their related structures. Compound 1 stabilizes with bifurcated C–H···S, C–H···O, and O(lp)···C(π) interactions, whereas compound 2 stabilizes with C–H···N, C–H···Br, and C–H···C interactions. The energy frameworks for the crystal structures of the title compounds reveal differences. The atoms-in-molecules (AIM) analysis was performed to confirm the intermolecular interactions found in the crystal structures of 1 and 2. Additionally, docking analysis suggests that the title compounds bind at the active site of human sphingosine kinase 1, a well-known cancer target

Syntheses and crystal structures of two adamantyl-substituted 1,2,4-triazole-5-thione N-Mannich bases

In the title N-Mannich bases, 3-(adamantan-1-yl)-4-(4-fluoro­phen­yl)-1-[(4-phenyl­piperazin-1-yl)meth­yl]-4,5-di­hydro-1H-1,2,4-triazole-5-thione (C29H34FN5S) (I), and 3-(adamantan-1-yl)-4-(4-fluoro­phen­yl)-1-{[4-(2-meth­oxyphen­yl)piperazin-1-yl]-meth­yl}-4,5-di­hydro-1H-1,2,4-triazole-5-thione (C30H36FN5OS) (II), fluoro­phenyl, adamantane and piperazine moieties are linked to a planar triazole ring. There is an additional phenyl ring on the piperazine ring in (I) and a meth­oxy­phenyl ring in (II). In compound (I), the fluoro­phenyl and phenyl rings are inclined to the triazole ring by 86.55 (13) and 60.52 (12)°, respectively, and the two aryl rings are inclined to one another by 66.37 (13)°. In compound (II), the corresponding dihedral angles are 83.35 (13), 71.38 (15) and 11.97 (16)°, respectively. The crystal structure of (I) shows pairs of C—H...F hydrogen bonds forming inversion dimers, while in the crystal of compound (II), in addition to the C—H...F hydrogen bonds that generate chains parallel to the b axis, there are C—H...π inter­actions present that link the chains to form layers parallel to the ab plane.Financial support from the Spanish Ministerio de Economía y Competitividad (MINECO-13-MAT2013–40950-R, MAT2016–78155-C2–1-R and FPI grant BES-2011–046948 to MSMA), Gobierno del Principado de Asturias (GRUPIN14– 060) and FEDER funding, is also gratefully acknowledged.Peer Reviewe