The efficiency of different sorbents (bulk soil, sand, silt, clay and humic acid-HA) for chlorantraniliprole (CAP), dinotefuran (DNF), bispyribac-sodium (BPS), and metribuzin (MBZ) adsorption was described and compared. The adsorption of CAP, DNF, BPS and MBZ were significantly greater on clay and HA fractions than the bulk soils. Also, the tested pesticides sorption was greater on HA fraction compared to clay fraction except in the case of BPS. The mass unit of bulk soil adsorbed of CAP, DNF, BPS and MBZ approximately 15, 20, 10 and 5 % of the same of HA and 40, 60, 95 and 35 % of that of clay fraction, respectively. The actual amounts adsorbed on bulk soil ranged from (88.63 to 93.93 %) of the calculated amounts adsorbed on all soil components indicating high efficiency of the tested soils to adsorb tested pesticides. All adsorption data fitted well to the linear Freundlich equation. The adsorption of tested pesticides in soil and their different constituents is S-type according to 1/n (except some cases).

In the present investigation, a library of 1,8-dioxo-octahydroxanthene derivatives have been synthesised by the cyclo-condensation reaction of aryl aldehyde with two moles of dimedone under solvent free condition in the presence of Novel Pumice supported perchloric acid (Pumice@HClO4) as a less expensive, recyclable, thermodynamically stable and non-toxic catalyst. The significant advantages of this novel protocol are experimental simplicity, easy work-up procedure, good to excellent yields of product and more sustainable as the efficiency of the readily available catalytic material.

New hybrids containing acridine and α-amino phosphonate scaffolds 6a-h were synthesized by three one-pot reactions via Kabachnik–Fields reaction of 9-aminoacridine derivatives 3a-d, aldehydes 4a,b and triphenyl phosphite 5 in equimolar ratio under stirring at room temperature. The installation of the afforded hybrids was affirmed by different spectroscopic methods as IR, 1HNMR, 13CNMR, 31P NMR, MS and elemental analysis. The antibacterial activities of hybrids 6a-h were screened against both Gram-positive and Gram-negative bacteria of four pathogenic strains, comparable to ampicillin and chloramphenicol drugs. Most hybrids showed higher activity compared to the reference drugs. Notably, the antibacterial performance of 6c was more substantial than other analogues with best minimum inhibitory concentration (MIC) and highest zone of inhibition (ZOI) of 31, 34, 35, 38 mm, against Serratia marcescens, Streptococcus mutans, MRSA and Klebsiella pneumoniae clinical isolates respectively. In addition, Transmission Electron Microscopes (TEM) was carried out to study the mode of action of 6c with MRSA, the results confirmed that the titled hybrid caused the disruption of bacterial cell wall. Moreover, the time-dependent kill study revealed that the investigated compounds were time and dose-effective bactericidal agents and could be used as potential leads for further development and optimization of novel antibacterial agents.

The present paper proposed the tri-potassium phosphate catalyzed synthesis of some novel series of Schiff bases (3a to 3l) derived from 2-aminopyridine using microwave technique. All synthesized Schiff bases were confirmed by different spectroscopic methods. Further all synthesized imines have been evaluated to screen for antimicrobial, antioxidant and anti-inflammatory activity. The compound 3c displays potent anti-inflammatory activity with 42.307%±1.322 inhibition of inflammation. The antioxidant activity data revealed that all synthesized Schiff bases exhibit potency to scavenge DPPH and nitric oxide radicals. Antimicrobial properties of these compounds showed moderate to excellent growth of inhibitory activity against various tested pathogens. Our observations and examination for pharmacological study towards the presence of active pharmacological functional groups present in the main structural nucleus of synthesized imines. Therefore, present study may lead to the development of a new class of anti-inflammatory and antioxidant drugs with structural modification.

A series of new pyrrole-coupled carboxamide derivatives had been synthesized and amply characterized by various techniques, viz FTIR, 1H-NMR, 13C-NMR, and LCMS. All these compounds had undergone evaluation for their PASS, BBB, pharmacophore model, ADME, and bioactive score. The antibacterial properties of all the derivatives were examined and compound 5i demonstrated strong antibacterial activity against MRSA. A membrane damage investigation supported by SEM pictures, cellular content leakage, potassium efflux, and bacterial respiration suppression showed that compound 5i had anti-MRSA properties. A good binding score of -9.11 was found for compound 5i against the MRSA protein 6FTB in an in silico molecular docking analysis, compared to a score of -10.25 for streptomycin. Based on these findings, compound 5i can be further studied in order to develop it as a drug to treat MRSA infections.

Hyperbranched polyester polyols have emerged as a promising candidate for polyurethane coatings due to their unique structure and properties. In this context, this paper aims to synthesize a new hyperbranched polyester polyol and evaluate its potential as a polyol for polyurethane coating applications. In this study, the synthesis of hyperbranched polyester polyol involves the reaction between a multifunctional alcohol and a multifunctional carboxylic acid or anhydride. It is further modified by incorporating 2-hydroxyethyl methacrylate and styrene. The properties of the polyester polyol were characterized using various analytical techniques, including FTIR, NMR, SEM and TGA. This paper also provides a discussion on the potential applications of the synthesized hyperbranched polyester polyol in several industries such as automotive, aerospace and construction.

Pyrazolones are a class of heterocyclic compounds that contain a pyrazole ring fused to a ketone group. Recent scientific research has focused extensively on the potential anti-inflammatory properties of pyrazolone compounds due to their diverse pharmacological effects in alleviating inflammation and reducing fever. This motivated us to focus on the preparation of these derivatives in a simple and eco-friendly manner. A convenient new green methodology was modified for the preparation of 1-phenyl-3,5-pyrazolidinedione by the sonicated MCR of diethyl malonate, phenylhydrazine, and a catalytic amount imidazole as homogenous organic catalyst in water green solvent in a good yield. On the other hand, some of 4-arylidinepyrazolidinedione derivatives are prepared in the same manner via the treatment of a mixture of diethyl malonate, phenylhydrazine, aromatic aldehydes, and a catalytic amount of imidazole in an aqueous medium. Our target synthesized pyrazolidinediones were elucidated via elemental and several spectral analyses. Due to the importance of pyrazolidinediones in the field of treating inflammation and relieving pain, a number of prepared compounds were chosen to test their efficacy as anti-inflammatory agents using carrageenan-induced foot edema in rats and compare the results with indomethacin, the standard drug. We found that the majority of derivatives yield promising results spanning from good to wonderful, so derivatives (15k, 15b, 15h, 15a, and 15j) yield the best results while derivative (15i) yields an average result. As for the derivative (15f), it yields the lowest results compared to the standard drug. This is due to the difference in the structural composition of these derivatives, which increases the likelihood of their use as anti-inflammatory derivatives.

The effect of pH value at three levels (5, 7, and 9) and temperature at two levels (25 and 50ºC) on the sorption properties of chlorantraniliprole-CAP, dinotefuran-DNF, bispyribac-sodium-BPS, and metribuzin-MBZ were studied in calcareous soil. The sorption of CAP at pH 5 (38.2%) was significantly higher than that at pH 7 (32.4%) and 9 (28.4%), whereas the sorption of DNF at pH 5 was lower than that at pH 7. The adsorption of BPS at pH 9 was statistically significantly higher than that at pH 5 and pH 7. Regarding the herbicide MBZ adsorption percentages were 47.0, 61.1 and 57.1 % at pH 5, 7 and 9. The number of tested pesticides adsorbed by the soil was significantly influenced by the temperature. The adsorbed amount of CAP was decreased from 37% to 33% as the temperature was increased from 25˚C to 50 ˚C, while no significant differences of adsorbed DNF. Data showed that the adsorption of BPS and MBZ statistically decreases with temperature. The data from the adsorption behaviour of CAP, DNF, BPS, and MBZ in tested soil at different temperatures correspond well with the Freundlich isotherm. The negative ΔG˚ indicated that the adsorption of CAP, DNF, BPS, and MBZ were spontaneous at different temperatures. There was an increase in the entropy of the pesticide-soil systems as shown by the positive values of ΔS˚.

A crucial direction in the progress of modern medical chemistry is the development and improvement of theoretical investigation methods of drugs mechanisms of action, predicting their activity, and virtual design of new drugs. This review describes the history of targeted search for biologically active compounds, current in silico approaches and tools used in the rational design of potential drugs, in particular the main computational strategies used in modern drug design are presented and outlines the main methodologies for implementing these strategies.

On the base of 3-formylpicolinic acid by two successive heterocyclizations (the formation of a pyrone fragment by the cyclization of chloroacetone with the carboxyl and formyl groups; and the construction of the thiazole cycle through the bromination of the acetyl fragment and following interaction with thioamides), 6-(2-(phenyl/thiophen-2-yl)thiazole-4-yl)-8H-pyrano[3,4-b]pyridin-8-ones were obtained; and then the pyrone fragment was converted to pyridone by the action of ammonia under high pressure. When such 6-(2-R-thiazol-4-yl)-1,7-naphthyridin-8(7H)-ones reacted with triflic anhydride, O-sulfonylation of the pyridone fragment occurred, after that triflate group was easily substituted by secondary cyclic aliphatic amines. Thus, a number of new 8-amino-6-(2-R-thiazol-4-yl)-1,7-naphthyridines – previously inaccessible heterocyclic derivatives with promising biological activity – were obtained.