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We report the synthesis of two novel halogenated nitro-arylhimachalene derivatives: 2-bromo-3,5,5,9-tetramethyl-1-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene (bromo-nitro-arylhimachalene) and 2-chloro-3,5,5,9-tetramethyl-1,4-dinitro-6,7,8,9-tetrahydro-5H-benzo[7]annulene (chloro-dinitro-arylhimachalene). These compounds were derived from arylhimachalene, an important sesquiterpene component of Atlas cedar essential oil, via a two-step halogenation and nitration process. Characterization was performed using 1H and 13C NMR spectrometry, complemented by X-ray structural analysis. Quantum chemical calculations employing density functional theory (DFT) with the Becke3-Lee-Yang-parr (B3LYP) functional and a 6-31++G(d,p) basis set were conducted. The optimized geometries of the synthesized compounds were consistent with X-ray structure data. Frontier molecular orbitals and molecular electrostatic potential (MEP) profiles were identified and discussed. DFT reactivity indices provided insights into the compounds' behaviors. Moreover, Hirshfeld surface and 2D fingerprint analyses revealed significant intermolecular interactions within the crystal structures, predominantly H–H and H–O contacts. Molecular docking studies demonstrate strong binding affinities of the synthesized compounds to the active site of protein 7B2W, suggesting potential therapeutic applications against various isolated smooth muscles and neurotransmitters. [ABSTRACT FROM AUTHOR]

• Seaweed extracts (SWE) increased chlorophyll levels in tomato under salt stress. • SWE mitigated salt stress by enhancing enzymatic antioxidant activities. • SWE reduced salt stress by improving non-enzymatic antioxidant activities. • Tested SWE can be used as biostimulant to improve salt stress tolerance of tomato. The present investigation aimed to examine the effects of seaweed extracts (SWE) on tomato plants under saline conditions (50 mM of NaCl). The current findings have shown that the SWE obtained from Jan ia rubens (J. rubens) gave better results compared to those prepared from the other two seaweeds; Dictyota dichotoma (D. dichotoma) and Gelidium sesquipedale (G. sesquipedale). Indeed, under salt stress, the application of fresh seaweed at 2% significantly (p ≤ 0.05) increased the plant height (26.28 cm ± 0.95) compared with the non-treated stressed control (17.65 cm ± 1.04). Based on these results the effect of J. rubens on some biological and biochemical parameters of tomato plants was evaluated. In fact, increased contents of chlorophylls, total soluble sugars (TSS), and total free amino acids (TFAA) were observed in seaweed-treated plants compared to the control plants. Moreover, the treatment of stressed plants with SWE revealed a significant (p ≤ 0.05) improvement in antioxidant enzyme activities such as superoxide dismutase (SOD), glutathione peroxidase (GPx), and glutathione S-transferase (GST). The extract also showed an increase in the enzyme activities of glutamate dehydrogenase (GDH) and phosphoenolpyruvate carboxylase (PEPC), which are implicated in the nitrogen and carbon metabolism, respectively. Furthermore, the analysis of the chemical composition of the liquid seaweed extracts (fresh and dried) has shown that they contain bioactive compounds such as polyphenols, flavonoids, soluble sugars, and amino acids, which can be responsible for the tomato's tolerance to salinity. Therefore, the SWE tested in the present study can be used as a biostimulant to enhance the salt stress tolerance of tomato plants. [ABSTRACT FROM AUTHOR]

Highlights: The use of inexpensive, easily obtained, and ecological adsorbents. New bio-adsorbents were made for Colorant adsorption from an aqueous solution. EBT dye adsorption capacities ranged from 1.8 to 2.8 mg.g−1. Adsorptions of EBT dye by the activated carbon of cannabis. This study provides cost-effective and sustainable production of activated carbon. Application of mathematical modeling to develop new relevant mathematical models based on experimental results. In the present work, the adsorption behavior of Eriochrome Black T (EBT) on waste hemp activated carbon (WHAC) was examined. The surface of the WHAC was modified by H3PO4 acid treatment. The surface and structural characterization of the adsorbents was carried out using Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM) analysis. The effect of influential adsorption parameters (pH, contact time, dosage, and initial concentration) on the adsorption of EBT onto WHAC was examined in batch experiments; some adsorption parameters such as pH, concentration and dose were improved by new mathematical models. The adsorption behavior of EBT on the surfaces of WHAC was evaluated by applying different isotherm models (Langmuir, Freundlich, Temkin and Dubinin–Radushkevich) to equilibrium data. The adsorption kinetics was studied by using pseudo-first-order, pseudo-second-order, Elovich and intraparticle models on the model. Adsorption followed the pseudo-second-order rate kinetics. The maximum removal of EBT was found to be 44–62.08% by WHAC at pH = 7, adsorbent dose of 10–70 mg, contact time of 3 h and initial dye concentration of 10 mg.L−1. The maximum adsorption capacities were 14.025 mg.g−1 obtained by calculating according to the Langmuir model, while the maximum removal efficiency was obtained at 70 mg equal to 62.08% for the WHAC. The adsorption process is physical in the monolayer and multilayer. [ABSTRACT FROM AUTHOR]

The apple tree, belonging to the Rosaceae family producing pome fruit, holds global economic significance. Despite this, apples face considerable postharvest disease challenges, particularly blue mold caused by Penicillium expansum and gray mold Botrytis cinerea. Synthetic fungicides are traditionally used for control, but their drawbacks necessitate exploring environmentally friendly alternatives. The current research investigates the antifungal activity of Agave americana and Agave sisalana aqueous extracts against these post-harvest diseases. In vitro tests demonstrated a concentration-dependent antifungal effect, with A. americana completely inhibiting mycelial growth and spore germination at 50 g L−1. A. sisalana exhibited a 75% reduction at the same concentration. A. americana at 6 g L−1 inhibited 50% of spore germination, while A. sisalana at 8 and 9 g L−1 achieved the same for B. cinerea and P. expansum. Regarding In vivo tests, both extracts reduced infection severity, particularly A. americana, which lowered gray mold and blue mold incidences to 23 and 26%. High polyphenol and flavonoid content in Agave extracts likely contributed to their efficacy. Phytochemical analyses identified 35 metabolites, including citric acid and piscidic acid, which are potential inhibitors of the fungal cell enzyme sterol 14 α-demethylase (CYP51), according to the results of molecular Docking analyses. Similarly, FTIR results indicated compounds with significant antimicrobial activity. Importantly, these biological treatments preserved apple quality during storage, suggesting their potential as effective and sustainable alternatives to synthetic fungicides. • A.americana and A.sisalana aqueous extracts effectively controlled apple decays. • Both extracts, rich in polyphenols and flavonoids, exhibited potent antifungal effects. • Agave extracts could be a promising alternative to synthetic fungicides. [ABSTRACT FROM AUTHOR]