Preparation and Characterization of Modified Polysulfone with Crosslinked Chitosan-Glutaraldehyde MWCNT Nanofiltration Membranes, and Evaluation of Their Capability for Salt Rejection.

Nanofiltration membranes were successfully created using multi-walled carbon nanotubes (MWCNTs) and MWCNTs modified with amine (MWCNT-NH2) and carboxylic groups (MWCNT-COOH). Chitosan (CHIT) and chitosan−glutaraldehyde (CHIT-G) were utilized as dispersants. Sonication, SEM, and contact angle were used to characterize the as-prepared membranes. The results revealed that the type of multi-walled carbon nanotubes (MWCNT, MWCNT-COOH and MWCNT-NH2) used as the top layer had a significant impact on membrane characteristics. The lowest contact angle was 38.6 ± 8.5 for the chitosan-G/MWCNT-COOH membrane. The surface morphology of membranes changed when carbon with carboxylic or amine groups was introduced. In addition, water permeability was greater for CHIT-G/MWCNT-COOH and CHIT-G/MWCNT-NH2 membranes. The CHIT-G/MWCNT-COOH membrane had the highest water permeability (5.64 ± 0.27 L m−2 h−1 bar−1). The findings also revealed that for all membranes, the rejection of inorganic salts was in the order R(NaCl) > R(MgSO4).

Novel Gallium(III), Germanium(IV), and Hafnium(IV) Folate Complexes and Their Spectroscopic, Thermal Decomposition, Morphological, and Biological Characteristics.

In this study, we describe novel gallium(III), germanium(IV), and hafnium(IV) folate complexes, including their synthesis and analyses. The synthesized folate complexes were also subject to thermal analysis (TGA) to better examine their thermal degradation and kinetic properties. The folate complexes had high stability and were nonspontaneous. The Coats-Redfern and Horowitz-Metzger equations were used to determine thermodynamic parameters and describe the kinetic properties. These complexes were synthesized through the chemical interactions in neutralized media between the folic acid drug ligand (FAH2) with GaCl3, GeCl4, and HfCl4 metal salts at 1 : 2 (metal : ligand) molar ratio. The conductance measurements have low values due to their nonelectrolytic behavior. The X-ray powder diffraction solid powder pattern revealed a semicrystalline nature. In vitro, we screened the synthesized folate chelates for antibacterial and antifungal activities. The inhibition of four bacterial and two fungi pathogens (E. coli, B. subtilis, P. aeruginosa, S. aureus, A. flavus, and Candida albicans) was improved using a folic acid drug relative to the control drug.

Charge-transfer interactions of metoclopramide nausea drug against six kind of π-acceptors: spectral and thermal discussions.

The target of this paper is aimed to discuss the fast and newly techniques in order to assessment the metoclopramide (Mcp) nausea drug in pure form in solid and solution shape with different kind of π-acceptors upon charge transfer interactions. Charge-transfer complexes (CTC) of metoclopramide with picric acid (PA), 2,3-dichloro-5,6-dicyano-p-benzoquinon (DDQ), tetracyanoquinodimethane (TCNQ), m-dinitrobenzene (DNB), p-nitrobenzoic acid (p-NBA) and tetrachloro-p-quinon (p-CL) have been studied spectrophotometrically in absolute methanol at room temperature. The stoichiometries of the complexes were found to be 1:1 ratio by the spectrophotometric titration between metoclopramide and represented π-acceptors. The equilibrium constants, molar extinction coefficient (εCT) and spectroscopic-physical parameters (standard free energy (ΔG°), oscillator strength (ƒ), transition dipole moment (µ), resonance energy (RN) and ionization potential (ID)) of the complexes were determined upon the modified Benesi-Hildebrand equation. The results indicate that the formation constants for the complexes depend on the nature of electron acceptors and configuration of drug donor, and also the spectral studies of the complexes were determined by (infrared, Raman, and (1)H NMR) spectra and X-ray powder diffraction (XRD). The charge-transfer complexes are formed during the interaction of electron-acceptors and electron-donors as result of partial or complete transfer of a negative charge from (D(+)-A(-)).

Spectroscopic study of structure of diphenhydramine drug and its products obtained via reactions with tetracynoethylene and iodine reagents and applications.

The reactions between diphrenhydramine drug (diphen) in the base form and the iodine amphoteric reagent (n-donor and/or σ-acceptor) and tetracyanoethylene as a π-acceptor reagent (TCNE) have been spectrophotometrically studied at different conditions of reactant concentrations, time intervals, temperatures, solvents, and different wavelengths aiming to shed light on the nature of these reactions. Consequently, it is possible to select the proper conditions for spectrophotometric determination of this biologically active drug in its formulations. The reaction mechanism between iodine and diphen involves the formation of diphen-I2 outer-and inner-sphere complexes, whereas diphen-TCNE reaction involves the formation of charge transfer (CT) complex. The analytical parameters of the suggested spectrphometric procedures have been calculated. The values of the Sandell sensitivity, standard deviation (SD), relative standard deviation (RSD) and recovery % refer to the high sensitivity of these procedures applied in analysis of diphen in its formulations. This research also presents a new diphen-I2 promising drug derivative that can be used for the same purpose as its parent. Both diphen-drug and diphen-I2 separated solid product are critically investigated by elemental analyses, FT-IR, ¹HNMR, electron ionization mass spectrometry (EI-MS) and thermal analyses (TA). Practical investigation (TA and MS) data of diphen-drug and its reaction product are confirmed by MO calculations. This research gives a clear idea about the possible metabolites and metabolic pathways of diphen and its derivative in vitro system that may occur in vivo system. The importance of this drug stems from its use as an antihistamine with anticholinergic (drying) and sedative side effects.

Spectroscopic study of the reaction mechanism of buspirone interaction with iodine and tetracyanoethylene reagents and its applications.

The reactions between the drug buspirone (busp) in its base form and iodine amphoteric reagent (n-donor and/or sigma-acceptor) and with tetracyanoethylene as a pi-acceptor reagent (TCNE) have been studied spectrophotometrically at different reactant concentrations, time intervals, temperatures, and with different solvents and wavelengths, with the aim of selecting the conditions that give the most suitable molar extinction coefficients. This study aims chiefly to throw light on the nature of these reactions and to select the most proper conditions for spectrophotometric application of these reagents to determine this biologically active drug used in treating different diseases. The reaction mechanism involves the formation of busp-I(2) outer and inner sphere complexes. The separated busp-I(2) solid product obtained was investigated using elemental analyses, FT-IR, thermal analyses (TA) and electron ionization mass spectrometry (EI-MS) and was found to be biologically active. The reaction mechanism of busp-TCNE involves the formation of a charge transfer (CT) complex. The analytical parameters of the proposed spectrophotometric procedures were calculated. These procedures were applied in the analysis of busp in its formulations as a drug used to treat psychiatric illnesses. The values of the Sandell sensitivity, standard deviation (SD), relative standard deviation (RSD) and recovery percentage show the high sensitivity of these procedures. This study also presents a promising new busp-I(2) drug derivative that can be used more efficiently for the same purposes as its parent. It gives a clear idea about the possible metabolites and metabolic pathways of busp and its derivative that may occur in vivo.

Structure investigation of sertraline drug and its iodine product using mass spectrometry, thermal analyses and MO-calculations.

Sertraline (C(17)H(17)Cl(2)N) as an antidepressant drug was investigated using thermal analysis (TA) measurements (TG/DTG and DTA) in comparison with electron impact (EI) mass spectral (MS) fragmentation at 70eV. Semi-empirical MO-calculations, using PM3 procedure, has been carried out on neutral molecule and positively charged species. These calculations included bond length, bond order, bond strain, partial charge distribution and heats of formation (DeltaH(f)). Also, in the present work sertraline-iodine product was prepared and its structure was investigated using elemental analyses, IR, (1)H NMR, (13)C NMR, MS and TA. It was also subjected to molecular orbital calculations (MOC) in order to confirm its fragmentation behavior by both MS and TA in comparison with the sertraline parent drug. In MS of sertraline the initial rupture occurred was CH(3)NH(2)(+) fragment ion via H-rearrangement while in sertraline-iodine product the initial rupture was due to the loss of I(+) and/or HI(+) fragment ions followed by CH(2)NH(+) fragment ion loss. In thermal analyses (TA) the initial rupture in sertraline is due to the loss of C(6)H(3)Cl(2) followed by the loss of CH(3)-NH forming tetraline molecule which thermally decomposed to give C(4)H(8), C(6)H(6) or the loss of H(2) forming naphthalene molecule which thermally sublimated. In sertraline-iodine product as a daughter the initial thermal rupture is due to successive loss of HI and CH(3)NH followed by the loss of C(6)H(5)HI and HCl. Sertraline biological activity increases with the introduction of iodine into its skeleton. The activities of the drug and its daughter are mainly depend upon their fragmentation to give their metabolites in vivo systems, which are very similar to the identified fragments in both MS and TA. The importance of the present work is also due to the decision of the possible mechanism of fragmentation of the drug and its daughter and its confirmation by MOC.

Mass spectrometric investigation of buspirone drug in comparison with thermal analyses and MO-calculations.

The buspirone drug is usually present as hydrochloride form of general formula C(21)H(31)N(5)O(2).HCl, and of molecular weight (MW)=421.96. It is an analgesic anxiolytic drug, which does not cause sedative or depression of central nervous system. In the present work it is investigated using electron impact mass spectral (EI-MS) fragmentation at 70 eV, in comparison with thermal analyses (TA) measurements (TG/DTG and DTA) and molecular orbital calculation (MOC). Semi-empirical MO calculation, PM3 procedure, has been carried out on buspirone both as neutral molecule (in TA) and the corresponding positively charged species (in MS). The calculated MOC parameters include bond length, bond order, particle charge distribution on different atoms and heats of formation. The fragmentation pathways of buspirone in EI-MS lead to the formation of important primary and secondary fragment ions. The mechanism of formation of some important daughter ions can be illuminated from comparing with that obtained using electrospray ESIMS/MS mode mass spectrometer through the accurate mass measurement determination. The losses of the intermediate aliphatic part (CH2)4 due to cleavage of N-C bond from both sides is the primary cleavage in both techniques (MS and TA). The PM3 provides a base for fine distinction among sites of initial bond cleavage and subsequent fragmentation of drug molecule in both TA and MS techniques; consequently the choice of the correct pathway of such fragmentation knowing this structural session of bonds can be used to decide the active sites of this drug responsible for its chemical, biological and medical reactivity.