ADVANCED JOURNAL OF CHEMISTRY, SECTION A
Year:2024 | Volume:7 | Issue:6|Papers Count:15

In this work, a new heterocyclic compounds containing a 1,2,4-triazole moiety were designed, manufactured from modifying the antibiotic Levofloxacin, and their structures were ascertained by measuring their melting point, FTIR, and 1HNMR, as well as their physical characteristics. These compounds are used to assess ftheir antimicrobial activity of gram positive and negative bacteria: S. aureus, S. epidermidis, and E. coli, Klebsiella and other fungi like Candida albicans, as well as at a concentration of 100 mg/mL, the tests were conducted. The 1,2,4-triazoles are a preferred structural motif among heterocyclic compounds that include three nitrogen heteroatoms and have drawn a lot of interest from both academia and medical applications. Despite not occurring in nature, 1,2,4-triazole moiety have numerous uses in the fields of organic synthesis, chemical biology, polymer chemistry, supramolecular chemistry, and drug development. Therefore, it is of notable importance to create a simple and straightforward approach for the synthesis of 1,2,4-triazoles derivatives. When compared to traditional antibiotics, the results showed that all of these compounds have good antibacterial properties. Finally, the antioxidant activity of each produced molecule was tested, revealing varying levels of activity.

In this article, the detailed information was presented about azo-dyes, including a general description of this class of compounds, which included a historical overview, observations on the chemical structure of these compounds, particularly focusing on the azo group (-N=N-) responsible for their coloring properties. In addition, we provided a schematic of the first synthesized azo-compound. Furthermore, we mentioned the general properties of them and viewed a detailed explanation for the categorization of them either aliphatic or aromatic, subdivisions for each category or which category is the most widespread, and then illustrated the types for this class of organic compounds. The effective operator in these compounds called diazonium-salt was also explained in detail (reactions and formation methods of which). The generation approaches of these compounds were demonstrated either. The widely used diazotization and coupling approach for the generation of azo-dyes is demonstrated, along with a literature review of studies employing this method. Lastly, some important applications of azo-dyes were briefly discussed.

This study investigates the efficacy of hydrogel nanocomposites as adsorbents for the removal of reactive yellow (RY) dye from aqueous solutions. Sodium montmorillonite (MMT) nanofillers were incorporated into poly N-isopropylacrylamide (poly (NIPAM)) and polyacrylic acid (poly (AAC)) hydrogels to create the nanocomposites. XRD, TGA, FTIR, and SEM techniques were used to characterize the resulting materials. The effects of several parameters on the adsorption process were comprehensively examined, including nanocomposite dose, solution pH, contact time, and initial dye concentration. The results showed that an acidic environment (pH < 7), with a contact time of 90 minutes and a dosage of 0.05 g of the nanocomposite, was optimal for achieving maximum adsorption capacity of RY dye. Poly (AAC) nanocomposites, poly (NIPAM) nanocomposites, and poly (NIPAM-co-AAC) nanocomposites showed the highest adsorption capacities of 168.3, 108.22, and 128.9 mg/g, respectively. The Langmuir and Freundlich isotherm models were used to fit the experimental data, with the Freundlich model demonstrating a superior fit. Kinetic studies further indicated that the dye adsorption process adhered to the pseudo-second-order kinetic model.

Two accurate, rapid, sensitive, inexpensive, and eco-friendly spectrophotometric techniques have been validated for simultaneous determination of chlorhexidine and triclosan. The first method (Q- Absorbance Ratio Spectra method, was applied at 272.89 nm (isoabsorptive point) and 259.00 nm (λ-max of chlorhexidine) with 282.00 nm (λmax of triclosan). The final concentrations for chlorhexidine and triclosan were computed using the Q-equations. The linearity ranges were 1.0-20.0 µg/mL and 1.0–50.0 µg/mL, respectively. The second method, “H-point standard addition method,” was applied at pair of wavelengths (251.00 and 271.00) nm and (272.00 and 283.00) nm, respectively. The linearity range for both methods is 4.0–40.0 µg/mL. The recovered values ranged from 96.94-100.09% to 96.38-99.76%. The statistical comparisons of the accuracy and precision of the outputs from the suggested methods were compared using, Student's t-test, F-test, and One-way ANOVA. The proposed methods were successfully applied for the determination of chlorhexidine and triclosan in various toothpaste samples. Lastly, an assessment of the environmental impact of the proposed techniques was conducted utilizing the green analytical procedure index and analytical eco-scale approaches as a measure of the "greenness" profile.

Methyl α-D-glucopyranoside (MDGP), a naturally occurring derivative of carbohydrates, is of interest to medicinal chemists because of its potential medical applications, especially as an antibacterial and antifungal agent. Gaussian 09 and density functional theory (DFT) were utilized to produce chemical descriptors for this investigation. The prediction of activity spectra for substances (PASS) has yielded preliminary data regarding the antifungal, antibacterial, antiviral, and anticancer properties of these compounds. Compared to bacterial species, fungal species scored higher on the PASS-predicted pathogens. We used web tools and an internet database to calculate the absorption, distribution, metabolism, and excretion (ADME) and toxicity of MDGP and its derivatives to assess their safe application and forecast their clinical phases as therapeutic molecules. Molecular docking was used to identify viable therapeutic options for microbial infections by first validating the biological importance of bacterial and fungal proteins. Molecular docking analysis demonstrated the encouraging binding affinity of C2 for both proteins (-6.2 kcal/mol against 5V8E and -5.9 kcal/mol against 7BLY). Ultimately, based on their structural side chain in the D-glucopyranoside sequence, these particular derivatives are found to have greater antibacterial potential than antifungal potential.

The use of pesticides like malathion has been increased due to agricultural development and the diversification of plant pests and have caused serious impacts towards human health and ecosystem. The aim of this study was to use a material sourced from a bio-waste via cellulose extraction for the preparation of cationic nanocellulose fiber (NC) intended for the uptake of negatively charged ions of malathion pesticides. In this study, we reported the preparation and characterization of cationic functionalized-NC with glycidyltrimethylammonium chloride (GTMAC). The NC and functionalized-NC structural and chemical properties were characterized using Fourier transform infrared spectroscopy (FTIR), Elemental analyzer (CHNS), Field Emission Scanning Electron Microscopy with Energy Dispersive X-Ray Spectroscopy (FESEM-EDX), Transmission electron microscopy (TEM) and Zeta potential. The adsorbent weight (1.0-5.0 mg), contact time (30-150 s), and concentration of malathion (6.0-14.0 mg/L) were studied to determine the optimum condition using the composite central design (CCD) based on the response surface methodology (RSM). The adsorption capacity was obtained 54.34 mg/g with an adsorbent weight of 1.0 mg, contact time of 130 s, and initial concentration of malathion 10.0 mg/L. The results revealed that quadratic model was proper for the prediction adsorption capacity of the adsorbent. The adsorption kinetics and isotherms were examined under optimal conditions. The Langmuir with a coefficients of determination (R2) = 0.9737 and pseudo-first-order with (R2) = 0.9774 were identified as the optimal models. The results showed that the NC-GTMAC can be effective and affordable adsorbent towards malathion in aqueous solution.

In this study, five novel 1,2,3-triazole derivatives linked to metronidazole that target EGRR TK in a non-small cell lung tumor were developed. The reaction of metronidazole propargylic ether derivative as terminal alkyne and aryl azide derivatives in the existence of sodium ascorbate and CuSO4.5H2O leads to the synthesis of desirable hybrid molecules (I-V) with anticancer properties. This method is recognized as the Cu-catalyst azide-alkyne cycloaddition. The software for MOE, edition 2015-10, was used for docking experiments, and for predicting cytotoxic activity, the MTT cell viability assay was employed. Both in vitro and docking studies revealed that the recently created substances have significant antitumor efficacy. In contrast to erlotinib, they demonstrated significant differences in potency. Compounds I–V all exhibit IC50 values between 3.2-12.677 μM against the cancer cell line A549 (a non-small lung tumor cell line). Compounds II, III, and IV showed moderate inhibitory activity, whereas Compounds I and V showed the highest inhibitory impact, with 3.21 and 4.1 μM, respectively, as the IC50 values. Based on docking and cytotoxic experiments, compounds I and V were shown to have the strongest inhibitory impact and improved binding energy. They contain biphenyl and benzene sulfonamide, respectively, which are connected to the 1, 2, 3-triazole ring in the para position. This suggests that they are the most promising candidates for use as anticancer medications. The recently synthesized compounds showed cytotoxicity and EGFR tyrosine kinase inhibitory potencies.

A sensitive spectrophotometric method was studied for the determination of silver ion in the presence of several interfering metal ions with high concentrations. This method relies on the formation of a complex between silver and 2-[2-(5-nitrothiazolyl)azo]-4,6-dibromophenol (NTADBrP). The new method was applied to determine the silver content in the metal alloys used in dental amalgam. The detection limit for the silver ion was 0.139 μg/mL, and the range of concentrations following Beer's law was from 1.0 to 50.0 ppm. The average percentage of silver present in the dental fillings was 38.9% with a standard deviation of ±0.01% and a recovery rate of 97%. UV-Vis spectrophotometry was used to compare it with the actual percentage of silver in the dental filling material, as indicated by the manufacturer, with no statistically significant differences.

This study suggests a solution to the corrosion issue faced by carbon steel by reducing corrosion and improving protection using a natural inhibitor, ellagic acid. The inhibitor ellagic acid is extracted from pomegranate fruit peels. It was characterized using Fourier Transform Infrared Spectroscopy (FTIR). Using the electrochemical polarization technique, the corrosion behavior of carbon steel 45 in 1M of hydrochloric acid (HCl) and a saline medium (artificial seawater 3.5% NaCl) was investigated before and after using the different concentrations of inhibitor ellagic acid (0.01 and 0.05) M at four temperatures: 298, 303, 313, and 323 K. The thermodynamic parameter of the corrosion behavior of carbon steel in two media under study, which include: energy activation Ea (15.101-6.738 kJ/mole) enthalpy ∆H*(13.2105-4.847 kJ/mole), entropy ∆S*(-0.1444- (-0.1932) J/mole), and free Gibbs energy ∆G*(0.055 -0.061kJ/mole) for 1M HCl and energy activation Ea (4.21649-22.2536 kJ/mol), enthalpy ∆H* (2.32529-20.3624 kJ/mol), entropy ∆S*(-0.1861- (-0.15465) J/mol), and free Gibbs energy ∆G*(0.0568-0.0656kJ/mole) for 3.5% NaCl before and after using the inhibitor, were also studied. The result showed that the inhibition efficiency values in the sodium chloride solution containing the inhibitor ranged from 93-97% at a concentration of 0.01 M and ranged from 97-99 % at a concentration of 0.05 M, and the inhibition efficiency values in the hydrochloric acid solution containing the inhibitor ranged from 91-94% at a concentration of 0.01 M and ranged from (95-96)% at a concentration of 0.05 M. Atomic Force Microscopy (AFM) analysis of the electrodeposited layers shows a protective coating layer of ellagic acid on carbon steel (C45).

A new Schiff base (A1) was synthesized by reacting 4-aminoazobenzene with p-aminoacetophenone. The Schiff base compound (A1) was then reacted with succinic anhydride and phthalic anhydride to synthesize new amic derivatives (A2-A3). Subsequently, cyclic imides (A4-A5) were synthesized by treating (A3-A4) with acetic anhydride and sodium acetate. The compounds (A1-A5) were characterized using FT-IR, 1HNMR, 13CNMR, and Mass Spectroscopy. The antioxidant properties of the synthesized compounds were studied. All synthesized compounds exhibited a high inhibition percentage against free radicals. The inhibition rate increases with higher concentrations and decreases with lower concentrations. In addition, the physical properties such as melting point and color were studied for some compounds.

A new Schiff base (5) was synthesized by reacting the hydrazide derivative (3) with p-aminoacetophenone in the presence of a few drops of H2SO4 in ethanol as a solvent. Following this preparation, the diazonium salt was prepared by reacting compound (6) with sodium nitrate in the presence of HCl at 0-5 °C and performing a coupling reaction. This reaction involved the prepared diazonium salt and some substituted phenols, leading to the formation of the corresponding azo-Schiff bases 7(a–e). Target compounds were identified using FT-IR, 1H-NMR and 13C-NMR. The second part of the current work includes the investigation of molecular docking and biological activities such as antimicrobial and antifungal effects.

A new series of azo compounds derived from Tröger's base containing the thiadiazole amine were synthesized. The thadiazole amine was synthesized from [methanodibenzo 6H,12H-5,11- [b, f] [1,5] diazocine-2,8-dicarboxylic acid] and thiosemicarbazide in only two steps. The diazonium salt was derived from the thiadiazole amine, and then coupled with of different phenol compounds (β-naphthol, hydroquinone, catechol, resorcinol, and α-naphthol) to form the azo compounds. The azo compounds were confirmed structure by a range of techniques, including solubility testing, melting point, FT-IR spectroscopy, nuclear magnetic resonance spectroscopy, and mass spectrometry. The weight loss method was followed to study the anti-corrosion activity of the compounds prepared on carbon steel from hydrochloric acid in a solution (0.5 M). Immersion times were also evaluated at a constant temperature of 298 K at two inhibitory concentrations (0.003 M and 0.005 M). The results obtained in weight measurements and evaluation of the effectiveness of azo compounds for carbon corrosion will be used in acidic environments. New results were obtained with differences in the inhibition efficiency between the compounds. In addition, an inhibition efficiency of (91%) and a lower corrosion rate (0.737) was obtained for compound A4, and compound A5 showed the lowest inhibition efficiency (78%) and the highest corrosion rate (1.695). Since the compounds manufactured in this way has good results, further analysis of the remaining compounds is needed, and their inhibitory efficiency is measured.

The inhibition corrosion of stainless steel 316L in the body fluid solution was studied by dexamethasone drug (DMD) as eco-friendly inhibitor. In this study, electrochemical polarization technique used to illustrate the inhibition process. The corrosion rate of stainless steel 316L was affected by adding different concentration of DMD inhibitor at 37 °C. The connection between corrosion inhibitory effectiveness and molecule electronic structure is investigated using theoretical method of density functional theory (DFT) at the B3LYP/6-311 ++G (p, d) basis set for the dexamethasone drug. The surface of stainless steel 316L was examined in inhibited and uninhibited solution by atomic force microscope (AFM).

The biosorption properties of an agricultural waste using pineapple leaf powder as activated carbon (PLAC) were studied to remove contaminated colors from dye mixtures, including cationic and anionic dyes such as brilliant yellow (BY), malachite green (MG), methylene blue (MB), and Rhodamine B (RhB) as real samples of industrial dyes for the treatment of industrial water. The main factors such as adsorbent dosage, initial dye concentrations, solution pH, and equilibrium time that influenced the adsorption performance were investigated in all single and binary systems. The best maximum adsorption capacities (Qm) were obtained for MG, MB, BY, and Rh6G in the single system are 98.5, 88.2, 80.98, and 77.7 mg/g and removal percentage 98.11%, 93.65%, 8.12%, and 70.25%, respectively. The pH of solution has no influence on adsorption of RhB dye on to Activated carbon (AC-PL), whereas for MB dye, adsorption increases with increasing pH and the best adsorption at pH 9.0. But in the case of MG dye, the best adsorption is at pH 9.0 and the minimum is at pH 2.0 and the best solution pH of BY dye is at pH 11.0. Through the mixture of two dyes (MB with BY) and (MG with RhB), it turns out that the removal of the dye MB and MG is better and with very high efficiency compared to RhB and BY in binary system. The bio sorption was regenerated by adsorption process after the loading process and reused for several times.

The reaction of 1-phenyl-3-pyrazolidone (phenidone) bound to sodium hydride and reacting with chloroacetyl chloride give compound (1) which then reacts with hydrazine hydrate to give compound (2). Compound 2 when reacted with substituted benzaldehydes, produced five derivatives of Schiff's base (3-7) these derivatives were then introduced into the cyclization process with glycine, 2-chloro acetic acid and 2-mercaptoacetic acid to yield new imidazolidine-4-one, oxazolidine-4-one and thiazolidine-4-one containing 1-pheny-3-pyrazolidone. The newly synthesized compounds were structurally validated using FTIR, 1HNMR, and 13CNMR spectroscopy in vitro studies were conducted to assess the antimicrobial properties and total antioxidant capacity, as well as the reducing power assay for the compounds. The results shown [8, 9 and 14] have good antioxidant activity