Current Organic Synthesis - Online First

Thiazoles and bis-thiazoles are recognized for their anticancer and antitubercular properties, making them crucial in medicinal chemistry. This study focuses on synthesizing and evaluating novel bis-thiazole derivatives.

Bis-thiosemicarbazone derivative 3 was used as a precursor to synthesize bis-thiazole (6a-f, 12a-h) and bis-thiazolone (9a-d) derivatives through reactions with appropriate reagents. Anticancer activity was screened using the MTT assay on HCT-116 cells, while antitubercular activity was tested using the microplate Alamar blue assay (MABA). The derivatives were synthesized under optimized reflux conditions and characterized using spectroscopic techniques. Biological assays evaluated their therapeutic potential.

The compounds displayed variable cytotoxicity and antitubercular efficacy. Molecular docking studies on dihydrofolate reductase (DHFR) revealed significant interactions, suggesting potential mechanisms of action.

The results highlight the influence of structural features on biological activity, with active compounds showing favorable interactions and docking scores.

Bis-thiazole and bis-thiazolone derivatives exhibit promising anticancer and antitubercular potential, warranting further investigation for therapeutic applications.

Soil sample pretreatment is a critical step in soil analysis, often involving complex processes and the use of organic solvents, which can lead to environmental pollution and inefficiency. In this regard, traditional methods are time-consuming and prone to human error, rendering them unsuitable for large-scale soil surveys. To address these challenges, this study proposes a novel rapid soil pretreatment method employing a device that integrates ultrasonic extraction with pure water and capillary electrophoresis using capacitively coupled contactless conductivity detection (CE-C4D). This study aims to enhance the efficiency and accuracy of soil nutrient analysis while minimizing environmental impact.

Ultrasonic extraction using pure water as a solvent, combined with CE-C4D detection, was employed for rapid and efficient analysis of soil nutrients, particularly potassium and phosphorus. Parameters influencing ultrasonic extraction, including frequency, treatment time, and the relationship between solution factors and cavitation yield, were optimized through both simulations and experiments. Cavitation yield was assessed using iodine release, conductivity measurement, and fluorescence analysis. Additionally, the sound pressure distribution within the extraction tube was simulated, and temperature changes during ultrasonic treatment were monitored. The pretreatment device and detection method were validated using standard soil samples.

The optimal ultrasonic extraction parameters were identified as a frequency of 1.7 MHz and a treatment time of 10 minutes, resulting in the most effective cavitation yield. The use of pure water as a solvent improved both the efficiency of soil pretreatment and the environmental sustainability of the process. The CE-C4D system successfully detected available potassium and phosphorus in standard soil samples with high accuracy, showing trends consistent with standard values and relative standard deviations (RSD, n=4) of less than 5%. Blind tests on soil samples also demonstrated minimal error, with RSD (n=4) below 4%.

This study presents a portable and efficient ultrasonic extraction device for soil pretreatment coupled with a custom-designed CE-C4D detector for the rapid analysis of available potassium and phosphorus. The use of pure water as a solvent significantly reduces environmental impact, simplifies the process, and enhances testing efficiency, reducing the required testing time from 15-20 days to within 30 minutes. This innovation provides a reliable solution for on-site soil analysis, offering potential applications in large-scale soil surveys and routine soil testing.

In mathematical chemistry (particularly in chemical graph theory), reverse degree-based topological indices provide good correlations with respect to both mathematical and chemical perspectives for the prediction of biological activities of diverse nature with a variety of relationships between physical, chemical, and thermodynamic parameters.

The main aim of this study is to provide the reverse degree-based graph polynomial, along with its corresponding topological indices. The objective of this methodology is to estimate the physical and chemical properties of specific molecular parameters through an innovative approach, biquadratic regression analysis.

Reverse degree-based graph polynomials are utilized to compute various reverse degree-based topological indices. The outcomes of this study are utilized to perform an innovative approach, biquadratic regression analysis, to estimate the various physicochemical properties of NSAID drugs. This approach provides the best approximations for the said properties.

The main focus of the research is the connection between changes in topological indices and physical characteristics. Based on these findings, this article may aid chemists and pharmaceutical industry professionals in the development of novel pharmaceuticals. A similar relationship can be found between topological indices and the physical characteristics of newly discovered medications for treating specific diseases to assess the physical characteristics of those medications. This study provides a QSPR experiment using biquadratic regression models to yield greater estimates for the properties of the NSAIDs.

Through the utilization of Biquadratic regression models, we have discovered that the indices that we have presented have a close relationship with both the chemical and physical parameters.

Bicyclo[1.1.1]pentanes (BCPs), recognized as bioisosteres for para-disubstituted benzene rings, have gained prominence as valuable bioactive scaffolds in drug research.

This study describes a radical-coupling method for the synthesis of sulfonyl-, cyano-substituted BCPs from sulfonyl cyanide and [1.1.1]propellane. In this study, the synthetic schemes were designed to show the chemical reactions. Nuclear Magnetic Resonance (NMR) and Mass Spectrometry (MS) were used to identify and characterize the final compounds.

This method does not require photocatalysts, metals, or light, generating BCP nitriles as a useful building block. The synthetic potential of this mild protocol was showcased by the diverse transformations.

This versatile method significantly expands the range of BCP-type bioisosteres that can be generated.

This study aimed to synthesize a series of new 3-(halophenyl)-1-phenyl-1H-pyrazole moieties and survey the antitumor properties of these compounds.

3-(halophenyl)-1-phenyl-1H-pyrazoles (4a-j) were prepared by reaction of phenyl hydrazine (3) with different halogen aromatic aldehydes 1a-j and malononitrile (2) in C2H5OH and piperidine. The reaction took place under microwave irradiation settings for two minutes at140°C.

Three human cancer cell lines were used as in vitro test subjects for compounds 4a - j. Three cell lines from mammals HeLa (a cell line for human cervical cancer), MCF-7 (a cell line for human breast cancer), and PC-3 (a cell line for human prostate cancer), all with 5-fluorouracil as the standard reference drug were used.

A series of novel 3-(halophenyl)-1-phenyl-1H-pyrazoles were synthesized in this work. All substances had their anticancer properties assessed.