Using the Bingel-Hirsch reaction, new hexakis methanofullerenes containing strained polycyclic hydrocarbons were synthesized. Organic field-effect transistors were manufactured based on the obtained compounds.

Functional polymers, a significant class of compounds with diverse applications, are synthesized by incorporating functional groups into polymer matrices. Poly(epichlorohydrin) (PECH) is a pivotal polymer due to its reactive chloromethyl group, which readily enables its transformation into various functional polymers. Our study is focused on theoretically unraveling the mechanism behind modifying PECH through menthol grafting. We optimized and characterized various stationary states using Density Functional Theory (DFT) at the B3LYP/6-311++G** level. These calculations were conducted in both gas phase and a solution environment (THF). To anticipate the specific sites within our polymer that would be subject to grafting, we calculated various reactivity indices at the same computational level.

Medicinal plant species contain variety of chemical substances with high medical
potential making these plant species valuable as biomedical sources. The plant of Cassia fistula is a deciduous plant also known as “Yellow Shower.” The plant Cassia fistula is highly considered for its biological importance in traditional medication system. This plant is full of different bioactive phytochemicals. In Ayurveda, the plant has also attained the medicinal importance.
Pharmacological properties like antioxidant, antimicrobial, anti-inflammatory, anti-diabetic,
antitumor, hepatoprotective and many more are exhibited by this plant.

The crisis against Multi-Drug Resistant (MDR) bacteria is on the rise globally. The attempts to discover new solutions like the invention of new antibiotics have encountered frequent failures due to the relatively high speed of microbial resistance. Among the hopeless tries, nanotechnology has introduced unique materials that can function as promising anti-MDR agents. Nanoparticles (NPs) especially silver nanoparticles (AgNPs) and their corresponding derivatives have been among the most outstanding antimicrobial and anti-MDRs due to their magnificent physical and chemical properties. Due to high costs and numerous tries and errors, there should be some strategies for predicting the anti-MDR activities of NPs. In the present study, a Machine Learning (ML) based model; Random Forest (RF) was applied to predict the anti-MDR activities of AgNPs. Once, the literature was provided, the desired information regarding the physical and chemical information besides the taxonomical information of the MDR bacteria was retrieved. Then, the preprocessing strategies were applied. Subsequently, the model was predicted with a high accuracy (R²=0.73). The analysis of significant attributes revealed that Dose, DLS_size, Core_size, and species are the most important factors in the anti-MDR activities of AgNPs. The results proved this tool can help scientists to have reasonable assumptions toward anti-MDR activities of AgNPs before any experiments, cutting the high costs of numerous experiments.

Since their initial discovery, Ionic Liquids (ILs) have garnered interest from both the industrial and academic communities due to their numerous potential applications, owing to their distinctive properties. The number of existing Ionic Liquids is very significant and could be infinite, given the wide range of possibilities for combinations between cations (Ammonium, Sulfonium, Phosphonium) and anions (Organic or Inorganic). Imidazolium salts form the largest family of Ionic Liquids, it is the one that has captured our attention.

Phenolic compounds are important substances in the chemical industry and are primarily derived from coal liquefaction oil, petroleum, and biomass. However, the conventional method of phenol separation using either alkaline or acidic water leads to significant environmental issues.

In this study, a series of Imidazolium-functionalized Ionic Liquids (ILs: [EtO₂C₂mim]Br, [EtO₂C₂mim]BF₄, and [EtO₂C₂mim]PF₆) were synthesized, characterized, and their extraction abilities for phenol in a model solution of hexane and phenol were investigated using a UV-visible spectrophotometry titration method.

The results showed that Imidazolium-functionalized Ionic Liquids: [EtO₂C₂mim]Br, [EtO₂C₂mim]BF₄, and [EtO₂C₂mim]PF₆ can extract 99%, 77%, and 16% of phenol, respectively, with the best extraction performance observed with [EtO2C2mim]Br. The results indicated that the extraction efficiencies of the three ILs were significantly influenced by the nature of the anion. Overall, these ILs demonstrate high potential for phenol extraction and can be considered a powerful alternative for wastewater treatment.

The glucocorticoid receptor (GR) is a known antitumor target. Activation of GR by glucocorticoids (GC) leads to suppression of growth and viability of tumor cells, inducing their apoptosis. Synthetic GC Dexamethasone (Dex) belongs to the class of glucocorticoid receptor agonists. The use of Dex as a direct chemotherapy agent for some types of malignancies leads to serious side effects. The activity of Dex outside the zone of therapeutic interest can lead to a wide range of various complications, including systemic toxicity, local allergic reactions, changes in heart function, which makes it especially important to explore and develop other, less toxic compounds. Recently it was shown that the compound CpdA acts as a non-steroidal analog of Dex. CpdA appears to be unstable under physiological conditions, and the main product of its hydrolysis is synephrine, which exhibits the desired properties. This fact makes the search for active molecules among synephrine analogues promising.

In the proposed work, a number of new synephrine analogues were synthesized. Some of the obtained compounds exhibited cytotoxic effects on the chronic myeloid leukemia and acute lymphoblastic leukemia cell line. In order to suggest a possible mechanism of such analogues’ action, molecular docking was performed using the GR model (PDB ID: 1P93) in comparison with the known receptor agonist – dexamitasone. The simulation showed similarity of synephrine analogues’ binding to the binding of Dex in the GR ligand-binding domain.

Abstract:

Aurones are natural bioactive dyes found in plants, many of them are biologically actives. Aurones can be obtained by the condensation of 3-coumaranones (benzofuran-3(2H)-one derivatives) with aldehydes. In this reaction ketones generally do not react. We reported herein that 1,2-dicarbonyl compounds condense with 3-coumarones, without solvent under microwave irradiation with clay as catalyst. Novel acylaurones were prepared in good yields, the more stable E-isomer was formed stereoselectively. The biologically properties of the new acylaurones will be tested.

Abstract:

Cross-conjugated dienones exhibit important biologically activities. Furthermore, tropane derivatives constitute a very known class of bioactive alkaloids(atropine, cocaine...). The condensation of N-methyl-8-azabicyclo[3.2.1]-heptan-3-one (Tropinone) with aromatic aldehydes takes place in the presence of acidic (clay K10, silica) or basic catalysts (alumina, KF-alumina). The best yields of (2E,4E)-2,4-bis-arylmethylene-8-methyl-8-azabicyclo[3.2.1]heptan-3-ones were obtained with the K10 clay under microwave irradiation without solvent.

Many public health-related problems, such as dengue diseases, are caused by the vector Aedes aegypti. The proliferation of arboviruses is due to climate change, intensifying globalization, and the evolution of anthropic activities such as travel from one place to another. This paper's objective is to develop larvicidal activities against the larvae of Ae. aegypti. Standard methods were utilized for the collection, extraction and phytochemical screening of the plant parts and extracts. Different extract concentrations (1000, 500, 250, and 125 ppm) were tested against the larvae of Ae. aegypti mosquitoes. The different toxicities observed were due to changes in the compounds present in each of the plant extracts. The most toxic plant extracts were Nepeta cataria stem, followed by Salvia rosmarinus leaf, Salvia rosmarinus stem, Ageratum conyzoides stem, Lantana camara leaf, and Mentha pulegium leaf, six plant including Nepeta cataria leaf, Psidium guajava leaf, Cymbopogon citratus leaf, Ocimum gratissimum stem, Mentha piperita leaf, Ageratum houstonianum leaf showed same LD50, followed by Lantana camara stem, Melissa officinalis root, Nepeta cataria root, and at the same concentration, no larval death was recorded for these five plant extracts, including Mentha pulegium stem, Mentha piperita L. (peppermint) stem, Azadirachta indica (neem) leaf, Geranium leaf, and Azadirachta indica (neem) stem . Seven phytochemical constituents (saponins, tannins, alkaloids, flavonoids, resins, and steroids) were detected for plant extracts. Nigerian medicinal plants could be used to curb the spread of the dengue vector, Aedes aegypti, and also have potential for further study on the constituents responsible for adulticidal activity.

Sulfonamide derivatives hold a significant place in therapeutic applications. They have proven to be valuable precursors for synthesizing a variety of medicinal agents [1]. This class of compounds is crucial as antibiotics due to their broad spectrum of antibacterial activity [2], antitumor activity both in vitro and in vivo [3], and their potential as antineoplastic agents. On the other hand, complexes containing copper (II) have garnered significant attention because of their outstanding biological and catalytic properties [4]. In recent years, research in this field has rapidly advanced, particularly in the context of coordination organic molecules [5]. Furthermore, metal-sulfonamides have been gaining increasing attention due to their antimicrobial activity.

The objective of this work is to synthesize an organometallic complex based on an sulfonamide derivative ligand; for that purpose, detailed experimental (FT-IR, UV–vis, XDR) and biological activity are conducted. The synthesis of this complex was accomplished via a novel eco-friendly method employing microwave irradiation. The desired complex obtained, as a green powder in 75% yield.