Chemical Data Collections最新文献

In current scenario, Oral diseases are the most prevalent and challenging diseases globally and it causes serious health and economic burdens for those who are affected. Carica papaya is used to treat oral diseases in Ayurvedic medicines from very long time. In current study aqueous leaf extract of C. papaya utilize to green synthesize silver nanoparticles for oral pathogen treatment. Green synthesized silver nanoparticles from C. papaya characterized using UV–Visible, FTIR, XRD and SEM analysis. Green synthesis of silver nanoparticles from C. papaya optimized by utilizing Box–Behnken based response surface methodology software. Characterization of green synthesized silver nanoparticles from C. papaya reveals that has maximal absorbance at 510 nm shown strong vibrational band at 3490 cm⁻¹ in IR analysis indicate silver nanoparticle formation. SEM analysis reveals 30–55 nm sized spherical shaped nanoparticles which was further affirmed by XRD analysis. Further green synthesized silver nanoparticles synthesized from C. papaya leaf extract shown anti-microbial activity against dental caries causing microorganism with zone of inhibition values 10, 14, 15 mm diameter respectively against S. mutans (ATCC25175), S. gordonii (ATCC10558), S. anginosus (ATCC33397) dental caries pathogen at 10 µg nanoparticle concentration. The functional groups of bioactive compounds from C. papaya responsible for effective reduction of silver ions and its inhibitory activity against tooth decay causing bacteria were assayed in this current research study. The current study proven that the green synthesized silver nanoparticles from C. papaya leaf extract possess significant applications in dental applications and we recommend this silver nanoparticle found suitable applications in biomaterial applications in dental industry.

Thiosemicarbazide derivatives are widely used as substrates for organic synthesis, and as analytical reagents and have a wide range of biological activities. In this work, we report synthesizing a series of new thiosemicarbazide derivatives functionalized with an N-(2,2,2-trichloroethyl)carboxamide group at the thioamide nitrogen atom. These compounds were obtained by adding hydrazine hydrate to N-(2,2,2-trichloro-1-isothiocyanatoethyl)carboxamides. Optimization of reaction conditions was carried out under the control of LC-MS analysis. The highest yields were observed at room temperature using MTBE as a solvent. The yield of target products under these conditions was 68–94 %. The structure of the obtained compounds was confirmed by ¹H, ¹³C NMR, and IR spectroscopy data, as well as the selective X-ray diffraction analysis carried out for 3-methyl-N-(2,2,2-trichloro-1-(hydrazinecarbothioamido)ethyl)butanamide.

In this article, a layer of nickel and cobalt salt is placed on the surface of a pure gold electrode, and in this way, the electrode is modified and finally a modified gold sensor is made, which is used to measure atrazine is used to remove the pollution poison in water and wastewater. This modified electrode is made at room temperature, which can be used at optimal pH = 9 stabilized by Britton-Robinson buffer and other chemical and device parameters. In this experiment, cyclic voltammetry techniques were used to study and investigate electrochemical reactions and SEM to study the structured of the electrode. The structured of this sensor is completely new and presented for the first time, and it is able to respond to very small amounts of these substances in the samples containing it. This electrode shows a linear behavior in the concentration of 100 nanomolar of atrazine poison. The detection limit of this electrode is 0.009 nM for atrazine. High signal to noise, wide linear range of response, high sensitivity and appropriate selectivity of this sensor will be its unique advantages.

Acetic acid (AA) is extensively used as a commodity chemical in industrial processes and its separation from aqueous solutions is a critical aspect of industrial processes. Methyl tert‑butyl ether (MTBE) is one of the most promising solvents for separating pure acetic acid from its aqueous solution via extraction. To recover MTBE solvent form extract phase, VLE data is required. An isobaric VLE study of MTBE + AA using an ebulliometer in the range of 60–90 kPa is reported in this article. Excess Gibbs energy models such as Wilson, NRTL, and UNIQUAC were used to correlate VLE data. The calculated BIPs were found suitable for presenting the VLE data in all pressure range and no azeotrope formation was observed. Average absolute deviation in temperature for Wilson, NRTL, and UNIQUAC models was reported. Redlich and Kister's area test and Wisniak's L–W test were used to check the thermodynamic consistency of the experimental data.

In current study, an efficient and simple synthesis of phenyl-benzoxazoles derivatives (1–14) were carried out, upon cyclization of 2-aminophenol with substituted aldehyde. All synthesized derivatives were characterized through NMR and HREI-MS spectroscopic techniques. All derivatives showed from excellent to moderate inhibitory potential with IC₅₀ value ranging from 0.80 ± 0.09 to 19.30 ± 0.49 µM as compared to the reference drug acarbose (IC₅₀ = 1.70 ± 0.10 µM). Derivative 9 (IC₅₀ = 0.80 ± 0.09 µM) was the most potent while derivative 10 (IC₅₀ = 1.03 ± 0.03 µM) with stand second most potent one. Structural activity relationship (SAR) was carried out which mainly depend upon nature, position and number of the substituent/s on aryl ring. Molecular docking study was carried out to determine the binding interaction of the most potent derivatives in the active site/s of enzyme.

In synthetic medicinal chemistry thiophene and their analogues play a vital role due to the wide range of pharmacological properties. In current studies, we have synthesized a new class of thiophene-bearing sulfonamide analogues (1–11) as cholinesterase inhibitors. These newly synthesized upon esterification, hydrazide formation and finally through sulfonamide mode of synthesis and were characterized through ¹H, ¹³C NMR and HREI-MS spectroscopic techniques. Synthesized analogues showed an excellent to moderate cholinesterase inhibitory potential. Analogues 10, 7, 9 and 11 showed an excellent potency against cholinesterase inhibition as compared to standard Donepezil. The binding interactions of the most potent analogues were confirmed through molecular docking studies. All Compounds were verified for cytotoxicity against 3T3 mouse fibroblast cell line and detected non-toxic.

We compared bare magnesium oxide NPs synthesized by chemical co-precipitation (Bare MgO) with the biogenic synthesis of magnesium oxide NPs (g-MgO) that were fabricated using variant concentrations of datura metel leaf extract (i.e., 10 ml and 20 ml). PXRD, FT-IR, UV–visible spectroscopy, PL, and SEM were performed to investigate the nanoparticles synthesized from Datura metel leaf extraction (DLE). It is evident from the PXRD analysis that these nanoparticles have a diffraction pattern corresponding to cubic MgO and hexagonal Mg(OH)₂ crystals with crystal sizes of 8.44, 7.93, and 7.85 nm which, decreased with an increase in Datura leaf extraction concentration. Vibrational stretching modes between 450 and 570 cm⁻¹ for cubic MgO and hexagonal sites were established by FT-IR, and the band gap estimated by UV–visible spectroscopy was found to be 3.87, 4.02, and 4.21 eV with the rise in DLE concentration, highest luminescence intensity was found at 463, 468 and 473 nm. SEM reviles agglomerated images with nanoflakes structure. The rhodamine B dye was degraded by a percentage of 71.05, 74.35, and 79.67 %, under visible light using these nanoparticles. Additionally, well-diffusion testing was performed against gram-positive and gram-negative bacterial strains (Staphylococcus aureus and Klebsiella pneumonia). These relative results indicated that the naturally synthesized NPs show better results than the reported articles.

BODIPY fluorescent dyes is a versatile class of molecules with a wide spectrum of applications, particularly in biological imaging and sensing. For these applications, lipophilicity is a critical factor that influences the compound's solubility, biodistribution, and biological interactions. This study investigated the synthesis and lipophilicity characterization of a series of BODIPY fluorescent dyes. The lipophilicity of the compounds was determined by high-performance liquid chromatography and compared to the predictions of theoretical methods. The results demonstrated the effectiveness of some fragment-based methods in BODIPY's lipophilicity calculation. The role of hydrophobic surface area in molecular lipophilicity was also investigated. The findings of this study provide insights into the structure-property relationships of BODIPY dyes and can be used to design derivatives with desired lipophilicity for specific applications.

A new series of chalcone incorporated pyrimidine-pyrazine-oxazole (9a-j) compounds and their structures were confirmed by ¹HNMR, ¹³CNMR and mass spectral data. All compounds assessed for their preliminary anticancer applications towards four human cancer cell lines like SiHa (human cervix cancer), A549 (human lung cancer), MCF-7 (human breast cancer) and Colo-205 (human colon cancer) by using of the MTT assay used the well-known chemotherapeutic agent etoposide as a positive control. According to the obtained data, most of the tested compounds displayed stronger activity compared with etoposides. Among the five compounds 9a, 9b, 9c, 9d and 9e possessed the most promising activities in all cell lines. Predominantly, two compounds 9a and 9b showed the highest anticancer activity.