Published: Jan. 1, 2024
Language: Английский
Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 410, P. 125513 - 125513
Published: July 14, 2024
The contamination of natural water resources by pharmaceutical pollutants has become a significant environmental concern. Traditional experimental approaches for understanding the adsorption behavior these contaminants on different surfaces are often time-consuming and resource-intensive. In response, this review article explores powerful combination in silico techniques, including molecular dynamics (MD), Monte Carlo simulations (MC), quantum mechanics (QM), as comprehensive toolset to obtain broad perspectives into pollutants. By bridging multiple scales, from molecular-level interactions macroscopic impact, computational methods offer holistic processes involved. We provide an overview their ecological effects, emphasizing need efficient sustainable solutions. Subsequently, we delve theoretical foundations MD, MC, QM, highlighting respective strengths simulating pollutant adsorption. Moreover, synergistic potential combining methodologies is also discussed more characterization processes. Recent case studies illustrate successful application techniques predicting behaviors various conditions. Finally, implications discussed, along with how modelling can guide solutions mitigating impact.
Language: Английский
Citations
16
Separation and Purification Technology, Journal Year: 2025, Volume and Issue: 354, P. 128986 - 128986
Published: Feb. 1, 2025
Language: Английский
Citations
11
Environmental Research, Journal Year: 2024, Volume and Issue: 252, P. 118856 - 118856
Published: April 8, 2024
Language: Английский
Citations
14
Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)
Published: April 15, 2024
Abstract This study explores the potential of photocatalytic degradation using novel NML-BiFeO 3 (noble metal-incorporated bismuth ferrite) compounds for eliminating malachite green (MG) dye from wastewater. The effectiveness various Gaussian process regression (GPR) models in predicting MG is investigated. Four GPR (Matern, Exponential, Squared and Rational Quadratic) were employed to analyze a dataset 1200 observations encompassing experimental conditions. have considered ten input variables, including catalyst properties, solution characteristics, operational parameters. Exponential kernel-based model achieved best performance, with near-perfect R 2 value 1.0, indicating exceptional accuracy degradation. Sensitivity analysis revealed time as most critical factor influencing degradation, followed by pore volume, loading, light intensity, type, pH, anion surface area, humic acid concentration. highlights complex interplay between these factors process. reliability was confirmed outlier detection William’s plot, demonstrating minimal number outliers (66–71 data points depending on model). indicates robustness utilized development. suggests that composites hold promise wastewater treatment models, particularly Matern-GPR, offer powerful tool Identifying fundamental properties can expedite application , leading optimized processes. Overall, this provides valuable insights into machine learning efficient removal
Language: Английский
Citations
5
International review of cell and molecular biology, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
Language: Английский
Citations
0
Pathology - Research and Practice, Journal Year: 2025, Volume and Issue: 268, P. 155873 - 155873
Published: Feb. 27, 2025
Language: Английский
Citations
0
Proteomes, Journal Year: 2025, Volume and Issue: 13(1), P. 12 - 12
Published: March 4, 2025
Extracellular vesicles (EVs) are lipid-bound secreted by cells, including exosomes, microvesicles, and apoptotic bodies. Proteomic analyses of EVs, particularly in relation to cancer, reveal specific biomarkers crucial for diagnosis therapy. However, isolation techniques such as ultracentrifugation, size-exclusion chromatography, ultrafiltration face challenges regarding purity, contamination, yield. Contamination from other proteins complicates downstream processing, leading difficulties identifying interpreting results. Future research will focus on refining EV characterization diagnostic therapeutic applications, improving proteomics tools greater accuracy, exploring the use EVs drug delivery regenerative medicine. In this review, we provide a bird’s eye view various challenges, starting with methods, yield, limitations proteome analysis protein targets.
Language: Английский
Citations
0
Future Pharmacology, Journal Year: 2025, Volume and Issue: 5(1), P. 11 - 11
Published: March 6, 2025
Exosomes can transport regulatory biomolecules and are mediators of cellular signaling among metabolic tissues through endocrine mechanisms. Understanding the pathways processes underlying exosome-mediated inter-tissue communication is critical for elucidating molecular pathophysiology diseases such as obesity, type 2 diabetes mellitus (T2DM), cardiovascular disorders. Consequently, these mechanisms represent novel promising targets pharmacological regulation. We examined current knowledge regarding exosome physiology, interaction with target tissues, its role in tissue communication. also analyzed secretory profiles exosomes emphasizing their roles adipose tissue, liver, pancreas, skeletal muscle, small intestine, while discussing association diseases. In this sense, we propose exosomal pentad a framework highlighting inter-organ communication, where may regulate axis involving tissues. This model aligns ominous octet but emphasizes key regulators homeostasis potential therapeutic targets. The treatment emerges area pharmacologic exploration. For instance, strategies that prevent binding or expression cargo molecules miRNAs could be designed, using antagomiRs nanoparticles. Additionally, integrins like αvβ5 on membrane blocked monoclonal antibodies engineered targeted delivery molecules. Exosomes, regulation, hold to design precise molecular-level therapies minimizing systemic side effects.
Language: Английский
Citations
0
Cancer Cell International, Journal Year: 2025, Volume and Issue: 25(1)
Published: April 15, 2025
Abstract Brain cancer remains a significant challenge in the field of oncology, primarily because its aggressive nature and limited treatment options available. Conventional therapies often fall short effectively targeting tumor cells, while sparing healthy brain tissue from collateral damage. However, exosomes are now recognized as promising nanocarriers for targeted drug delivery. These naturally occurring extracellular vesicles can cross blood–brain barrier selectively interact with cells. Utilizing delivery vehicles offers novel approach potential therapy. By encapsulating therapeutic agents within exosomes, drugs be specifically to maximizing their impact whilst minimizing damage tissue. Furthermore, modified display molecules that recognize bind further enhancing precision efficacy. While exosome-based show potential, scalability, purification, clinical application challenges remain. The scalability exosome production, modification techniques hurdle must overcome translation. Additionally, intricate interactions between microenvironment necessitate research optimize outcomes. review explores applications future perspectives advancing treatment.
Language: Английский
Citations
0
Advances in Colloid and Interface Science, Journal Year: 2024, Volume and Issue: 333, P. 103304 - 103304
Published: Sept. 27, 2024
Language: Английский
Citations
3