Ailanthus altissima (Miller) Swingle fruit - new acyl β-sitosteryl glucoside and in vitro pharmacological evaluation

β-Sitosterol-3-O-(6?-O-13?-octadecenoyl)-β-D-glucoside (1), a new acyl β-sitosteryl glucoside, along with three known compounds β-sitosterol-3-O-β-D-glucoside (2), β-sitosterol (3) and methyl gallate (4) have been isolated from the ethyl acetate soluble fraction of methanolic extract of Ailanthus altissima fruits. Their structures were elucidated through spectroscopic data including 2D NMR, ESI-MS, methanolysis and oxidative cleavage of double bond. Antibacterial, antifungal, cytotoxic, phytotoxic and insecticidal activities were evaluated of compound 1, crude extract and its fractions so far for the first time. Pharmacological activities results showed that n-butanol fraction was good active against Pseudomonas aeruginosa and Salmonella typhi bacteria, and moderate active against Microsporum canis fungus. Crude extract, n-butanol and aqueous fractions showed good cytotoxicity. Moreover, compound 1, extract and all fractions showed notable phytotoxicity at higher concentrations, whereas all inactive against assayed insects.     

A Simple,Convenient, and Efficient Synthetic Route for The Preparation of (Z)‐3,5‐Dichloro‐N‐(3‐(4‐substitutedphenyl)‐4‐phenylthiazole‐2(3H)‐ylide)benzamide Heterocyclic Compounds from Aroyl Thiourea Derivatives via S‐cyclization Mechanism

A series of variously substituted 1,3‐thiazole heterocyclic compounds ( 3a – 3d ) were prepared by base‐catalyzed S‐cyclization of corresponding 2,4‐dichloro‐N‐{[(4‐substitutedphenyl)amino]carbonothioyl}benzamide ( 2a – 2d ) with acetophenone in the presence of bromine. The structure of all compounds was established by IR, ¹H‐NMR, ¹³C‐NMR, elemental analysis, and X‐ray crystallographic analysis.     

Design,Synthesis, and Biological Evaluation of Novel Dihydropyridine and Pyridine Analogs as Potent Human Tissue Nonspecific Alkaline Phosphatase Inhibitors with Anticancer Activity: ROS and DNA Damage-Induced Apoptosis

Small molecules with nitrogen-containing scaffolds have gained much attention due to their biological importance in the development of new anticancer agents. The present paper reports the synthesis of a library of new dihydropyridine and pyridine analogs with diverse pharmacophores. All compounds were tested against the human tissue nonspecific alkaline phosphatase (h-TNAP) enzyme. Most of the compounds showed excellent enzyme inhibition against h-TNAP, having IC₅₀ values ranging from 0.49 ± 0.025 to 8.8 ± 0.53 µM, which is multi-fold higher than that of the standard inhibitor (levamisole = 22.65 ± 1.60 µM) of the h-TNAP enzyme. Furthermore, an MTT assay was carried out to evaluate cytotoxicity against the HeLa and MCF-7 cancer cell lines. Among the analogs, the most potent dihydropyridine-based compound 4d was selected to investigate pro-apoptotic behavior. The further analysis demonstrated that compound 4d played a significant role in inducing apoptosis through multiple mechanisms, including overproduction of reactive oxygen species, mitochondrial dysfunction, DNA damaging, and arrest of the cell cycle at the G1 phase by inhibiting CDK4/6. The apoptosis-inducing effect of compound 4d was studied through staining agents, microscopic, and flow cytometry techniques. Detailed structure–activity relationship (SAR) and molecular docking studies were carried out to identify the core structural features responsible for inhibiting the enzymatic activity of the h-TNAP enzyme. Moreover, fluorescence emission studies corroborated the binding interaction of compound 4d with DNA through a fluorescence titration experiment.     

Three New Acrylic Acid Derivatives from Achillea mellifolium as Potential Inhibitors of Urease from Jack Bean and α-Glucosidase from Saccharomyces cerevisiae

(1) Background: Achillea mellifolium belongs to a highly reputed family of medicinal plants, with plant extract being used as medicine in indigenous system. However, limited data is available regarding the exploitation of the medicinal potential of isolated pure compounds from this family; (2) Methods: A whole plant extract was partitioned into fractions and on the basis of biological activity, an ethyl acetate fraction was selected for isolation of pure compounds. Isolated compounds were characterized using different spectroscopic techniques. The compounds isolated from this study were tested for their medicinal potential using in-vitro enzyme assay, coupled with in-silico studies; (3) Results: Three new acrylic acid derivatives (1–3) have been isolated from the ethyl acetate fraction of Achillea mellifolium. The characterization of these compounds (1–3) was carried out using UV/Vis, FT-IR, 1D and 2D-NMR spectroscopy (¹H-NMR, ¹³C-NMR, HMBC, NOESY) and mass spectrometry. These acrylic acid derivatives were further evaluated for their enzyme inhibition potential against urease from jack bean and α glucosidase from Saccharomyces cerevisiae, using both in-silico and in-vitro approaches. In-vitro studies showed that compound 3 has the highest inhibition against urease enzyme (IC₅₀ =10.46 ± 0.03 μΜ), followed by compound 1 and compound 2 with percent inhibition and IC₅₀ value of 16.87 ± 0.02 c and 13.71 ± 0.07 μΜ, respectively, compared to the standard (thiourea-IC₅₀ = 21.5 ± 0.01 μΜ). The investigated IC₅₀ value of compound 3 against the urease enzyme is two times lower compared to thiourea, suggesting that this compound is twice as active compared to the standard drug. On the other hand, all three compounds (1–3) revealed mild inhibition potential against α-glucosidase. In-silico molecular docking studies, in combination with MD simulations and free energy, calculations were also performed to rationalize their time evolved mode of interaction inside the active pocket. Binding energies were computed using a MMPBSA approach, and the role of individual residues to overall binding of the inhibitors inside the active pockets were also computed; (4) Conclusions: Together, these studies confirm the inhibitory potential of isolated acrylic acid derivatives against both urease and α-glucosidase enzymes; however, their inhibition potential is better for urease enzyme even when compared to the standard.     

Chemistry Aspects and Designing Strategies of Flexible Materials for High-Performance Flexible Lithium-Ion Batteries

In recent years, flexible and wearable electronics such as smart cards, smart fabrics, bio-sensors, soft robotics, and internet-linked electronics have impacted our lives. In order to meet the requirements of more flexible and adaptable paradigm shifts, wearable products may need to be seamlessly integrated. A great deal of effort has been made in the last two decades to develop flexible lithium-ion batteries (FLIBs). The selection of suitable flexible materials is important for the development of flexible electrolytes self-supported and supported electrodes. This review is focused on the critical discussion of the factors that evaluate the flexibility of the materials and their potential path toward achieving the FLIBs. Following this analysis, we present how to evaluate the flexibility of the battery materials and FLIBs. We describe the chemistry of carbon-based materials, covalent-organic frameworks (COFs), metal-organic frameworks (MOFs), and MXene-based materials and their flexible cell design that represented excellent electrochemical performances during bending. Furthermore, the application of state-of-the-art solid polymer and solid electrolytes to accelerate the development of FLIBs is introduced. Analyzing the contributions and developments of different countries has also been highlighted in the past decade. In addition, the prospects and potential of flexible materials and their engineering are also discussed, providing the roadmap for further developments in this fast-evolving field of FLIB research.     

Physical vapor deposition of SnS:PbS-dithiocarbamate chalcogenide semiconductor thin films: elucidation of optoelectronic and electrochemical features

Abstract

This work reports the first investigation on the physical vapor deposition of thin films of tin sulfide doped lead sulfide (SnS:PbS). In-situ synthesis route using diethyldithiocarbamate (DTC) ligand was adopted for SnS-DTC, PbS-DTC and SnS:PbS-DTC complex formation. PbS-DTC and SnS:PbS-DTC expressed an average crystallite size of 30.98 and 29.74?nm, respectively shown by X-ray diffraction (XRD) analysis. A face centered cubic geometry was revealed from XRD. Ultraviolet visible spectrophotometry expressed a direct and indirect band gap of 3.4 and 3.2?eV, respectively for SnS:PbS-DTC. A smooth morphology with presence of larger agglomerated particles was disclosed by scanning electron microscopy for SnS:PbS-DTC thin films with 615?nm thickness. SnS:PbS-DTC thin films expressed remarkable electrochemical behavior explored via cyclic voltammetry, linear sweep voltammetry and chronoamperometry showing an improvement in the photo-current response upon potential bias increment. The results of the current research indicated the potential of SnS:PbS-DTC thin films for utilization in different types of photovoltaic devices.     

Control of Chemical Reactions by Using Molecules that Buffer Non-aqueous Solutions

Control of chemical reactions is necessary to obtain designer chemical transformation products and for preventing decomposition and isomerization reactions of compounds of interest. For the control of chemical events in aqueous solutions, the use of aqueous buffers is a common practice. However, no molecules that buffer non-aqueous solutions were commonly used. Herein, we demonstrate that 1,3-cyclohexanedione derivatives have buffering functions in non-aqueous solutions. It was also shown that these molecules can be utilized to alter and control chemical reactions. 1,3-Cyclohexanedione derivatives inhibited both acid- and base-catalyzed isomerizations and decompositions in organic solvents. The reaction products obtained in the presence of the buffering molecule 2-methyl-1,3-cyclohexanedione differed from those obtained in the absence of the buffering molecule. The use of buffering molecules that work in organic solvents provides a strategy to control chemical reactions and expands the range of compounds that can be synthesized.     

Imaging flow structure and species with atomic and molecular filters

Rayleigh and Raman scattering have not been widely used for flow field and combustion imaging because of their very low scattering cross-sections and because of interference from strong background light. With the use of sharp cut-off, atomic and molecular filters this background can be rejected while high throughput is maintained. The sharp cut-off edge of the filters provides for the possibility of using them for high-resolution spectral discrimination. Consequently, Rayleigh and Raman imaging are now becoming feasible and have the promise of providing quantitative images of temperature, velocity, pressure, density, species, and nonequilibrium phenomena. Because Rayleigh and Raman scattering arise from all molecules and are not affected by quenching, quantitative images can be taken of all dominant molecular species as well as thermodynamic and transport properties of complex flows, weakly ionized plasmas, and combusting fields.     

Practical problems associated with laser anemometry in high speed turbomachines

Laser based flow measuring techniques are well known in engineering for their ability to provide useful information in situations where conventional methods either fail or are simply unsuitable due to the harsh flow conditions. High speed turbomachines is one such area where complicated flow phenomena do occur at the inlet and outlet of the impeller. Commercial laser instruments can be used to map the flow in these regions but several other problems have to be solved before any successful results can be obtained. These include geometry of the machine, optical access, seeding, background noise, temperature and the flow conditions at which the laser results are required. This paper illuminates these problems associated with two radial inflow turbines when the flow in the nozzle guide vane region was studied. Several engineering problems were identified and solved prior to achieving successful results.