Anti-inflammatory drugs are used to relieve pain, fever, and inflammation while protecting the cardiovascular system. However, the side effects of currently available medications have limited their usage. Due to these adverse effects, there is a significant need for new drugs. The current trend of research has shifted towards the synthesis of novel anthranilic acid hybrids as anti-inflammatory agents. Phenyl- or benzyl-substituted hybrids exerted very good anti-inflammatory effects in preventing albumin denaturation. To confirm their anti-inflammatory effects, additional ex vivo tests were conducted. These immunohistochemical studies explicated the same compounds with better anti-inflammatory potential. To determine the binding affinity and interaction mode, as well as to explain the anti-inflammatory activities, the molecular docking simulation of the compounds was investigated against human serum albumin. The biological evaluation of the compounds was completed, assessing their antimicrobial activity and spasmolytic effect. Based on the experimental data, we can conclude that a collection of novel hybrids was successfully synthesized, and they can be considered anti-inflammatory drug candidates—alternatives to current therapeutics.

The aim of the present study is to synthesize new metal complexes of 6-methyl-2-thiouracil and 6-propyl-2-thiouracil, elucidate their structures, and investigate their biological properties. All metal complexes were obtained after mixing water solutions of the corresponding metal salts and the ligand dissolved in DMSO and water solutions of NaOH in a metal-to-ligand ratio of 1:4:2. The structures of the new compounds are discussed based on melting point analysis (MP-AES) for Cu and Pd, UV-Vis, IR, ATR, ¹H NMR, ¹³C NMR, and Raman spectroscopy. The interpretation of complex spectra is assisted by the data for 6-methyl-2-thiouracil and 6-propyl-2-thiouracil obtained from ¹H-¹H COSY, DEPT-135, HMBC and HMQC spectra. In addition, the antimicrobial activity of these complexes and the free ligands are assessed against both Gram-positive and Gram-negative bacteria, as well as yeasts. In general, the addition of metal ions improved the antimicrobial activity of both 6-methyl-2-thiouracil and 6-propyl-2-thiouracil. The Cu(II) complex with 6-methyl-2-thiouracil and the Pd(II) complex with 6-propyl-2-thiouracil exhibited the highest activity against the test microorganisms.

Raman spectra from the same sample might differ between instruments and over time depending on the spectrometer, optical path, or sample environment, among others. There is a need to harmonize and standardize characterization by Raman spectroscopy, enabling end users to share and reuse digital spectroscopic data through FAIR databases. In this context, we present an open‐source, MIT‐licensed, Python package called ramanchada2 that collects existing and novel state‐of‐the‐art algorithms, allowing the users to generate, read, visualize, and process Raman spectra, with special emphasis on instrument calibration. A number of input formats are supported, including those from DFT simulations. This package also offers a tool for the generation of synthetic spectra based on user specifications for data augmentation and algorithm benchmarking. NeXus is introduced as an input and output format, enabling the possibility to package into a single file data and metadata, including data processing information, from multiple and even from different types of experiments, for example, XRD, Raman, and biological assays, using a harmonized structure and terminology. To facilitate Raman spectra analysis by end users, we developed “Oranchada” add‐on for data‐mining open‐source software Orange, a user‐friendly wrapper of all ramanchada2 functionalities with predefined harmonization workflows, as well as an online application for calibration.

In this paper, we present the characteristics of photoluminescent YBO₃ successfully synthesized through a solid-state reaction and a microwave-assisted method. We used yttrium oxide and boric acid in excess as the starting reagents. The synthesis conditions were reflected in the fluorescent characteristics and the structure. Excess boric acid caused structural changes, as observed by the FTIR spectroscopy analysis. Powder X-ray diffraction (XRD) analysis confirmed the crystalline phases and purity of the samples. We observed improved photoluminescence properties in the samples synthesized by the microwave-assisted method. These findings enhance the understanding of the material’s properties and indicate potential applications in illumination, displays, and narrow-band fluorescent smartphone-readable markers.

Background: Irritable bowel syndrome (IBS) is a prevalent gastrointestinal disorder with a complex pathogenesis that necessitates innovative therapeutic approaches for effective management. Among the commonly used treatments, mebeverine (MBH), an antispasmodic, is widely prescribed to alleviate IBS symptoms. However, challenges in delivering the drug precisely to the colonic region often hinder its therapeutic effectiveness. To address this limitation, silver nanoparticles (AgNPs) have emerged as promising drug delivery systems, offering unique physicochemical properties that can enhance the precision and efficacy of IBS treatments. Objectives: This study aimed to synthesize AgNPs as drug delivery vehicles for MBH and a previously reported analog. The research focused on evaluating the cytotoxic and genotoxic effects of the AgNPs and forecasting their possibly harmful effects on future sustainable development. Methods: AgNPs were synthesized using a rapid method and functionalized with MBH and its analog. The nanoparticles were characterized using different techniques. Cytotoxicity and genotoxicity were evaluated in vitro. Additionally, in silico docking analyses were performed to explore their safety profile further. Results: In vitro assays revealed concentration-dependent cytotoxic effects and a lack of genotoxic effects with MBH-loaded AgNPs. A molecular docking simulation was performed to confirm this effect. Conclusions: The study underscores the potential of AgNPs as advanced drug delivery systems for safe and significant therapeutic implications for IBS. Future in vivo and preclinical investigations are essential to validate the safe range of exposure doses and evaluation standards for assessing AgNPs’ safety in targeted and personalized medicine.

The goal of this study is to synthesize, determine the structure, and examine the antimicrobial properties of novel Cu(II) and Au(III) complexes of 2,4-dithiouracil and its derivatives. These complexes were obtained by mixing aqueous solutions of the corresponding metal salts with the ligand dissolved in DMSO and aqueous NaOH, using a metal-to-ligand ratio of 1:4:2. The structures of the new compounds were analyzed by melting point determination, microwave plasma atomic emission spectrometry (MP-AES) for Cu and Au, inductively coupled plasma optical emission spectrometry (ICP-OES) for S, attenuated total reflection (ATR), solution and solid-state NMR, and Raman spectroscopy. The data for 2,4-dithiouracil obtained from the ¹H NMR, ¹³C NMR, distortionless enhancement by polarization transfer spectrum (DEPT-135), proton–proton homonuclear correlation spectrum (¹H-¹H COSY), long-range ¹H-¹³C heteronuclear multiple bond correlation experiment (HMBC), and heteronuclear single quantum coherence spectra (HSQC) aided the interpretation of the NMR data for the gold and copper complexes. Furthermore, the antimicrobial effect of the free ligands and their complexes was assessed against Gram-positive and Gram-negative bacteria, as well as yeasts.