A series of isoxazole derivatives, 3-aryl-5-[5-(4-nitrophenyl)-2-furyl]-2,3-dihydroisoxazoles (5a-j) were synthesized by cyclocondensation reaction between 1-aryl-3-[5-(4-nitrophenyl)-2-furyl]prop-2-en-1-ones (4a-j) and hydroxylamine hydrochloride in presence of sodium acetate in glacial acetic acid at reflux temperature. Formerly, compounds (4a-j) were synthesized by the condensation of 5-(4-nitrophenyl) furan-2-carbaldehyde (3) with various aromatic ketones by using alkali as catalyst. The structures of the synthesized various isoxazole have been characterized by using elemental analysis, Infrared,¹H-NMR spectroscopy and further supported by Mass spectroscopy. All the products have been screened for their in-vitro biological assay like antibacterial activity towards Gram-positive and Gram-negative bacterial strains and antifungal activity towards Aspergillus niger at a concentration of 40 µg/ml. It was exposed that the compounds 5a, 5c, 5e, 5f, and 5i showed inspiring antibacterial and antifungal activity compared to the used reference standard.

Spodopetra Frugiperda is a highly polyphagous migratory lepidopteran pest species. It causes infestation in crops leading to severe crop losses. Being a new invasive parasite, its susceptibility to insecticides needs to be explored and therefore, there is an urgent need to develop the potent insecticides for the effective control of this insect pest. This is the first report on toxic effects produced by the prepared chalcone and hydrazone analogs, followed by structure relationships. Five compounds of chalcone and hydrazone derivatives have been synthesized in pure state as reported procedures, and their toxicity as potential insecticidal agent against Spodopetra Frugiperda was screened. Their characterizations by using spectroscopic analyses were performed. The toxicity data exhibited that compound 5 is more toxic about 2-fold than other synthesized compounds, the other screened compounds showed weak to strong toxicological activity against Spodopetra Frugiperda (lepidoptera: Noctuidae).

Spodopetra Frugiperda is a highly polyphagous migratory lepidopteran pest species. It causes infestation in crops leading to severe crop losses. Being a new invasive parasite, its susceptibility to insecticides needs to be explored and therefore, there is an urgent need to develop the potent insecticides for the effective control of this insect pest. This is the first report on toxic effects produced by the prepared chalcone and hydrazone analogs, followed by structure relationships. Five compounds of chalcone and hydrazone derivatives have been synthesized in pure state as reported procedures, and their toxicity as potential insecticidal agent against Spodopetra Frugiperda was screened. Their characterizations by using spectroscopic analyses were performed. The toxicity data exhibited that compound 5 is more toxic about 2-fold than other synthesized compounds, the other screened compounds showed weak to strong toxicological activity against Spodopetra Frugiperda (lepidoptera: Noctuidae).

This research was carried out in order to evaluate the benefits of date seed powder (DSP) by adding it to bakery products to enhance the nutritional value of these products and maximize the economic value of these wastes. Thus, the contents of the (DSP) were determined from the chemical composition, mineral elements, amino acids, fatty acids, phenols and flavonoids, afterthought DSP were added to the toast bread and crackers with a ratio of 5, 10 and 15 % as substitute of the wheat flour and then the organoleptic properties of these products were evaluated. The findings of these investigations revealed that the (DSP) contains important minerals, essential amino acids, unsaturated fatty acids and antioxidants, and all of these compounds have an effective effect on the health of the body. In addition, the Sensorial evaluation of toast bread and crackers were shown to be acceptable by the judges, and thus the possibility of adding DSP to bakery products.

A series of furan derivatives tebufenozide analogues comprising five compounds (2, 3, 4, 5, and 6) have been designed and synthesized via reaction of N'-phenylfuran-2-carbohydrazide (1) with different acid chlorides. The structures of the synthesized compounds were identified by elemental analyses and spectroscopic data. The analogues compounds have the active center of tebufenozide (mimic) with change of tertiary butylhydrazine by phenylhydrazine. Studying the effect of this change on the toxicological activity against Spodoptera littoralis larvae was performed for three compounds of the synthesized ones. Toxicological activity data showed that compound (3) is more active than compounds (2) and (5)

The FTIR and Raman spectra of dopamine were also recorded in the spectral region 20 - 4000 cm^-1 and 400 - 4000 cm^-1 respectively. The optimized molecular geometry and fundamental vibration frequencies are interpreted using structural optimizations based on the DFT method. The B3LYP / 6-311G (d, p) was used to determine the calculations of the chemical descriptor. The dopamine (DA) molecule can acquire a maximum charge of 0.513 eV from its environment. To understand the molecular interactions of Dopamine, the MEP is a crucial tool. Nonlinear optical descriptors (NLO) and the lengths, bond angles are also determined by DFT and MP2 methods. The DFT method was used to determine the chemical shifts of ¹H and ¹³C of the product. These constants have been calculated by employing the GIAO (Gauge-Including-Atomic-Orbit), CSGT (Continuous Set of Gauge Transformations) and IGAIM (Individual Gauges for Atoms In Molecules) methods at the B3LYP/6-311G (d, p). The comparison of the theoretical chemical shifts with the experimental ones shows that the CSGT method is the best.

The synthesis, anticancer and antimicrobial properties of novel N-aryl-2-(5-aryltetrazol-2-yl)acetamides were discussed. Novel N-aryl-2H-tetrazoles were synthesized and modified in order to obtain the compounds with a satisfactory pharmacological profile. The structures of target substances were confirmed by using ¹H spectroscopy, mass spectrometry and elemental analysis. Anticancer activity screening was carried out within the framework of Developmental Therapeutic Program of the National Cancer Institute's (DTP, NCI, Bethesda, Maryland, USA). The compounds with significant levels of anticancer activities have been found that can be used for further optimization. The antimicrobial activity of the synthesized substances was evaluated by the value of the MIC and minimum fungicidal and bactericidal concentration. The findings exhibited that the compounds possessed moderate antimicrobial potential.

Natural organic pigments such as carotenoids, betalains, anthocyanins, and carminic acid are notably found as safer food preservatives compared to other harmful synthetic chemicals. Due to glycosylation and acylation, betalains exhibit a broad-spectrum antimicrobial functionality with protection against degenerative diseases. Thus, betalains have been investigated as a potential bacterial inhibitor for food preservative applications. Initially, 36 betalain derivatives have been taken for primary screening using molecular docking. Afterward, the top ten ligands are taken for further study and analysis. The results of Prediction of Activity Spectrum of Substances (PASS) assured the antibacterial capabilities of betalains, and Lipinski's rule-of-five ensures the acceptability of the selected ligands as antibacterial inhibitors. The bacterial pathogens, such as C. botulinum (3FIE), E. coli (2ZWK), and S. typhi (3UU2) are selected for molecular docking by these betalain pigments. Furthermore, ADMET investigations and QSAR studies are performed to check insights into the bacterial inhibition process. Most active and common binding sides were observed at GLY159, ASN165, and SER166 for C. botulinum, at ASP8, LYS40, and TRP50 for E. coli; and at ARG37, GLN5, and ARG74 for S. typhi. The present study clearly shows an excellent insight towards the invention of plant-based new organic inhibitors to face the challenges of bacterial-resistant common food preservatives.

The development of three simple, precise, efficient, and accurate spectrophotometric techniques that manipulate ratio spectra is undertaken to measure Ivabradine and Carvedilol simultaneously in bulk and tablet formulation. Applying mathematical calculations like the ratio derivative, first-order ratio derivative and ratio derivative subtraction method has been used for determination of CVD and IBD. For Carvedilol, the calibration curve is linear between concentrations of 40–65 µg/mL and 50–81.25 µg/mL for Ivabradine. These strategies have been put into practice and used for analyzing marketed pharmaceutical formulations. Further, the outliers were statistically assessed by using Grubb’s test and found, as null hypothesis cannot be rejected. The suggested approach was evaluated using four green evaluation approaches with which these tools found an excellent green outcome. Altogether, the proposed method was found to be a simple, sensitive, accurate and eco-friendly method for the analysis of drugs that have overlapping properties in the UV spectrum.

In this research article, four chromophores based on benzoxazine as the electron donor and tricyanovinyl dihydrofuran (TCF) as the electron acceptor have been designed to investigate the nonlinear optical (NLO) response. The geometric and electronic structures, absorption spectra, NBO analysis, and nonlinear optical response have been calculated by employing density functional theory (DFT) at PBEPBE/6-31G (d,p). The new design of chromophores has been proposed by the structural modification of π-spacers/conjugated systems. The DFT and TD−DFT computations at CAM−B3LYP/6−31G (d,p) have been performed to shed light on the influences of structural modification on the NLO properties. The absorption wavelength in different organic solvents, polarizability (α), and hyperpolarizability (β) are all determined. A strong NLO response indicates that this family of organic compounds with a D-π-A structure exhibits large first hyperpolarizability βtot values, these values are much greater than ones of urea. This theoretical model may be used to design other chromophores for usage in electro-optics.