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Amphotericin B (ATB) is one of the extensively used antifungal agent against many fungal infections. The excess intake of ATB exhibits the nephrotoxicity due to oxidative stress. Annona squamosa (AS), which showed many therapeutic strengths was chosen for the present study to investigate on its nephroprotective effect. Major objective of this study was to estimate the nephroprotective effect of ethanolic extract of Annona squamosa leaves (EAS) towards ATB-induced nephrotoxicity with an aid of in vitro Human Embryonic Kidney (HEK)-293 cells and in vivo on Wistar rats. In vitro cytoprotective effect was assessed by MTT assay using HEK-293 cells. Male Wistar rats (N=24) were alienated into four groups with six animals each. Group I given normal saline known as normal control. Group II was disease control, administered 15mg/kg of ATB, i.p. daily once for 5 days; Group III & IV animals were pre-treated with EAS of dose 200 & 400 mg/kg p.o. for ten days and from 6th day of experiment, animals began to receive ATB at 15mg/kg i.p., single dose for 5 days. HEK-293 cells incubated with ATB exhibited an increased cell death and were decreased on treatment with EAS. A quantitative estimation of ALT, AST and ALP, creatinine and blood urea nitrogen (BUN) were used to asses in vivo nephroprotective activity of EAS. The reduction (P<0.001) of serum biomarkers and elevation of glutathione (GSH), catalase (CAT) and superoxide dismutase (SOD) levels (P<0.001) in kidney tissue homogenate in treated groups when compared to the ATB treated alone was observed. Results were also supplemented by histopathological investigations. The work concludes potential of EAS against ATB-induced nephrotoxicity via in vitro and in vivo trials. [ABSTRACT FROM AUTHOR]

• A new NLO active allylidene malononitrile is synthesized. • The structure was confirmed using SC-XRD, 1H NMR, 13C NMR, and FTIR spectroscopy. • HOMO-LUMO energy were analysed using density functional theory (DFT). • Third-order nonlinear susceptibility highlighted the potential for NLO applications. Functionalized alkylidene malononitriles play a crucial role as donor-acceptor molecules, exhibiting notable nonlinear optical (NLO) properties. Allylidene malononitriles, an analogue of alkylidene malononitriles, have not been explored before for their optical properties. The present work deals with the synthesis of (Z)-2-(3-(4-bromophenyl)-3-chloroallylidene) malononitrile using Knoevenagel condensation reaction of Z-3-(4-bromophenyl)-3-chloroacrylaldehyde and malononitrile. Structure of the compound was elucidated by single-crystal X-ray crystallography and related spectroscopic studies like FT-IR, NMR (1H, 13C), and UV–Vis spectroscopy, which were further supported with computational studies using Density Functional Theory (DFT) approach. The photoluminescence spectra showed that the compound exhibited an emission peak at 425 nm with an excitation wavelength of 352 nm. The single crystal study reveals that the compound belongs to a monoclinic system with space group P2 1 /c. The thermal characteristics of the compound was analysed using TGA-DTA/DSC. Investigation of the third-order nonlinear susceptibility was done by femtosecond Z-scan technique and demonstrated the potential of phenyl-substituted allylidene malononitriles for its nonlinear optical applications. The observed positive lensing and strong reverse saturable absorption (RSA) at both visible (532 nm) and Near IR (800 nm) regions make this compound a promising candidate for optoelectronic applications. [Display omitted] [ABSTRACT FROM AUTHOR]

• Crystallographic analysis of Z-3-(4-bromophenyl)-3-chloroacrylaldehyde using SXRD • Compound is optically active in yellowish-orange region • Intermolecular interaction in the crystal is found from Hirshfeld Surface analysis • DFT calculations on HOMO-LUMO plots were carried out using B3LYP theory • The compound has excellent antibacterial activity and MIC value is calculated The present paper describes the single-crystal X-ray structure of Z -3-(4-bromophenyl)-3-chloroacrylaldehyde (BCA). Hirshfeld Surface analysis was performed, providing insight into intermolecular interactions for the first time. The compound crystalizes in the monoclinic system with a space group P 2 1 /c and unit cell dimensions of a =3.9327(4) Å, b=18.5517(19), c=12.2749(14) and V=894.77(16)Å3. Z -3-(4-bromophenyl)-3-chloroacrylaldehyde was characterized using 13C and 1H NMR spectroscopy, and its thermal stability assessed with a thermogravimetric analyzer. Optical properties were investigated through UV-Visible absorption and emission spectroscopy. Density Functional Theory (DFT) calculations were performed using B3LYP theory with a basis set of SDD. HOMO-LUMO calculations, conceptual DFT and its global reactivity descriptors like hardness, electronegativity and electrophilicity of molecule were studied using G16W software. The energy gap of 4.17eV obtained from HOMO-LUMO molecular orbital energy shows that the compound is hard, stable and reactive. Further, Z -3-(4-bromophenyl)-3-chloroacrylaldehyde also exhibited significant antibacterial activity against both Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) with a zone of inhibition of 13 ± 1 mm against E. coli and 14 ± 1 mm against S. aureus and the MIC value was found to be 0.55 mg/mL against S. aureus and 1.1 mg/mL against E. coli. The integration of experimental and theoretical approaches in this study enhances the understanding of the versatile applications of BCA across various fields. [Display omitted] [ABSTRACT FROM AUTHOR]