Frontiers in Chemistry最新文献

Introduction: This study aimed to prepare cholesterol and stearic acid-based solid lipid nanoparticles of gabapentin (GAB-SLNs) for protection against streptozotocin (STZ)-induced retinal injury in rats.

Methods: We prepared four preparations of GAB-SLNs using a hot high-shear homogenization ultrasonication process, and the best formulation was selected and tested for biological activity. The retinal injury was brought in male adult albino rats while gabapentin doses continued for 6 weeks. Six groups of rats were assigned as the vehicle, diabetic, diabetic + gabapentin (10-20 mg/kg), and diabetic + GAB-SLNs (10-20 mg/kg). GAB-SLN#2 was selected as the optimized formulation with high entrapment efficacy (EE%, 98.64% ± 1.97%), small particle size (185.65 ± 2.41 nm), high negative Zeta potential (-32.18 ± 0.98 mV), low polydispersity index (0.28 ± 0.02), and elevated drug release (99.27% ± 3.48%). The TEM image of GAB-SLN#2 revealed a smooth surface with a spherical shape.

Results: GAB-SLNs provided greater protection against retinal injury than free gabapentin as indicated by the histopathology data which demonstrated more organization of retinal layers and less degeneration in ganglion cell layer in rats treated with GAB-SLN#2. Further, GAB-SLN#2 reduced the inflammatory proteins (IL-6/JAK2/STAT3) and vascular endothelial growth factor (VEGF).

Conclusion: The preparation of GAB-SLNs enhanced the physical properties of gabapentin and improved its biological activity as a neuroprotectant. Further studies are warranted to validate this technique for the use of oral gabapentin in other neurological disorders.

Kaolinite was subjected to advanced exfoliation processes to form separated nano-silicate sheets (EXK) with enhanced physicochemical properties as adsorbents. This involved the incorporation of different exfoliating agents, urea (U/EXK), KNO₃ (N/EXK), and CTAB (C/EXK), highlighting their impacts on their textural and surficial properties as adsorbents for safranin dye. The applied characterization techniques confirmed the higher exfoliating degree of C/EXK, followed by N/EXK and U/EXK. This appeared significantly in the determined surface area (55.7 m²/g (C/EXK), 36.7 m²/g (U/EXK), and 47.1 m²/g (N/EXK)) and adsorption performances. The C/EXK structure displayed a better safranin uptake capacity (273.2 mg/g) than N/EXK (231 mg/g) and U/EXK (178.4 mg/g). Beside the remarkable differences in textural properties, the advanced mathematical modeling and the corresponding steric and energetic parameters illustrate the mentioned uptake properties. The interface of C/EXK is highly saturated by active uptake sites (Nm = 158.8 mg/g) as compared to N/EXK (109.3 mg/g) and U/EXK (93.4 mg/g), which is in agreement with the characterization findings and the expected higher exposure of siloxane groups. Each of these sites can be filled with four dye molecules using C/EXK and N/EXK, which implies the vertical orientation of these adsorbed ions and the effective operation of multi-molecular mechanisms. The energetic (ΔE < 40 kJ/mol) and thermodynamic investigations indicate the spontaneous, physical, and exothermic uptake of safranin molecules by EXK particulates. These mechanisms might involve dipole bonding (2-29 kJ/mol), electrostatic attraction (2-50 kJ/mol), van der Waals forces (4-10 kJ/mol), and hydrogen bonding (<30 kJ/mol).

A series of seven new meso-phenyl BODIPY-pyrrolo[3,4-b]pyridin-5-one conjugates were synthesized in one experimental step by using a Sc(III)-catalyzed Ugi-Zhu three-component reaction coupled to a cascade sequence (aza Diels-Alder/N-acylation/aromatization) as post-MCR functionalization process. Further experimental studies were performed behind understanding the fluorescence response toward viscosity. All compounds exhibited a linear response between increasing viscosity (DMSO and glycerol mixtures) and fluorescence intensity. The different substituents also influenced the photophysical properties. Furthermore, in DMSO all compounds exhibited dual emission. Each band is attributed to the pyrrolo[3,4-b]pyridin-5-one and BODIPY moieties, respectively. The electronic structure of all compounds was computed by DFT and TD-DFT calculations, allowing to determine the molecular orbitals involved in the electronic transitions.

Deep eutectic solvent (DES) has been considered as a useful catalyst and reaction medium for various organic transformations. Herein, we report the catalytic application of novel deep eutectic solvent- based surfactant (DES surfactant) for the selective and fast oxidation of alcohols to aldehydes. The readily accessible DES surfactants (FeCl₃/BHDC) was prepared using inexpensive ferric chloride (FeCl₃) and benzyl hexadecyl dimethyl ammonium chloride in a simple manner. The synthesized FeCl₃/BHDC was characterized using various techniques, including, FTIR spectroscopy, thermal gravimetric analysis (TGA), scanning electron microscopy (SEM), and energy- dispersive X-ray spectroscopy (EDS) to determine its structure. The catalytic activity of FeCl₃/BHDC in the selective oxidation of various alcohols to corresponding aldehyde derivative was investigated. The results showed the reaction could be completed within very short reaction times ranging from 2 to 15 min, while achieving good to excellent yields. This protocol offers a facile strategy and excellent efficiency in selectively oxidizing various alcohol derivatives to their respective aldehydes and ketones, utilizing hydrogen peroxide in the presence of catalytic DES surfactant.

Nanozymes, synthetic nanomaterials that mimic the catalytic functions of natural enzymes, have emerged as transformative technologies for biosensing, diagnostics, and environmental monitoring. Since their introduction, nanozymes have rapidly evolved with significant advancements in their design and applications, particularly through the integration of machine learning (ML). Machine learning (ML) has optimized nanozyme efficiency by predicting ideal size, shape, and surface chemistry, reducing experimental time and resources. This review explores the rapid advancements in nanozyme technology, highlighting the role of ML in improving performance across various bioapplications, including real-time monitoring and the development of chemiluminescent, electrochemical and colorimetric sensors. We discuss the evolution of different types of nanozymes, their catalytic mechanisms, and the impact of ML on their property optimization. Furthermore, this review addresses challenges related to data quality, scalability, and standardization, while highlighting future directions for ML-driven nanozyme development. By examining recent innovations, this review highlights the potential of combining nanozymes with ML to drive the development of next-generation diagnostic and detection technologies.

At present, the problem of global warming is becoming increasingly serious, and one of the main culprits is the increasing amount of carbon dioxide emissions. Although the traditional carbon capture technologies can reduce the concentration of CO₂ in the atmosphere, it has a series of problems such as high energy consumption, high cost, low efficiency or unfriendly environment. Hydrate-based carbon dioxide separation are considered to be a technology with great application and development prospects. Compared with the traditional method of carbon dioxide separation, the hydrate method has the advantages of simple process, low energy consumption and environmental friendliness. This review introduces the advantages of hydrate method compared with traditional carbon capture technologies, expounds the theory of carbon dioxide capture by hydrate, and the strengthening and improvement techniques of hydrate method, including thermodynamic promoter, kinetic promoter and mechanical reinforcement, and introduces the practical application of hydrate method in various fields.

The article discusses optical properties (luminescence) of diluted (24 dilution factor) lucigenin (Lc) aqueous solutions. Six series of Lc aqueous solutions, with 50 samples in each series, were studied. The series were diluted on different days within random schedules, following a unified procedure: the first sample in all the series was the Lc (C _Lc = 8.2 × 10^-7 mol/L) stock solution, while the rest of the samples were obtained by successive dilution with the ratio of 24. For the first three samples, the Lc luminescence intensity decrease appropriately complied with the exponential function model (the dilution ratio: none for the stock solution, for the second and the third, 24 and 24 × 24 = 24², respectively). Starting from the fourth sample for statistical processing of luminescence data, the seven largest values were selected from the built rank distribution of emission intensity values. This method helps eliminate the influence of "random large bounces" when calculating the correlation coefficient. Up to the 50th studied sample, a challenging linear gradual decrease in the intensity of recorded photometric values was noted (correlation coefficients for all series being close to -0.9). Similar analysis of six reference series of pure water "dilution" samples did not exhibit any correlation between the highest emission values in the studied wavelength range (specific for Lc bandwidth, 480-505 nm) and the sample's dilution number. It can be assumed that photometric values, recorded in the series of Lc sequentially diluted aqueous solutions after substance (Lc) elimination (theoretically expected after the 13th sample within the used experimental setup), could be attributed to the gradual destruction of long-lived aqueous structures formed in the process of hydration of Lc molecules during its dissolution.

The increasing threat of antibiotic resistance has created an urgent need for new antibacterial agents, particularly plant-based natural compounds and their derivatives. Thymol, a natural monoterpenoid phenolic compound derived from Monarda citriodora, is known for its aromatic and therapeutic properties, including antibacterial activity. This study focuses on synthesizing dihydropyrimidinone and dihydropyridine derivatives of thymol and exploring their antibacterial properties. The synthesized compounds were tested for their in vitro antibacterial potential against pathogenic microorganisms, specifically Pseudomonas aeruginosa (Gram-negative) and methicillin-resistant Staphylococcus aureus (MRSA) (Gram-positive). Among the synthesized derivatives, compound 3i (ethyl 4-(4-hydroxy-5-isopropyl-2-methylphenyl)-2-imino-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate) exhibited the most promising antibacterial activity, with minimum inhibitory concentration (MIC) values of 12.5 µM against P. aeruginosa and 50.0 µM against MRSA. Additionally, compound 3i demonstrated a synergistic effect when combined with vancomycin, enhancing its antibacterial efficacy. The optimum fractional inhibitory concentration index (FICI) observed was 0.10 and 0.5 for MRSA and P. aeruginosa, respectively, in combination with vancomycin. In silico analysis of the physiochemical properties of 3i indicated compliance with all drug-likeness rules. Furthermore, molecular docking studies revealed that compound 3i has a stronger binding affinity to the target protein than thymol, providing valuable insights into its potential mechanism of action.

Using mechanical energy to drive chemical transformations is an exciting prospect to improve the sustainability of chemical reactions and to produce products not achievable by more traditional methods. In-situ monitoring of reaction pathways and chemical transformations is vital to deliver the reproducible results required for scale up to realize the potential of mechanochemistry beyond the chemistry lab. This mini review will discuss the recent advances in in-situ monitoring of ball milling and polymer mechanochemistry, highlighting the potential for shared knowledge for scale up.