Опубликована: Янв. 1, 2024
Язык: Английский
Journal of Molecular Liquids, Год журнала: 2024, Номер 410, С. 125513 - 125513
Опубликована: Июль 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.
Язык: Английский
Процитировано
16
Separation and Purification Technology, Год журнала: 2025, Номер 354, С. 128986 - 128986
Опубликована: Фев. 1, 2025
Язык: Английский
Процитировано
11
Environmental Research, Год журнала: 2024, Номер 252, С. 118856 - 118856
Опубликована: Апрель 8, 2024
Язык: Английский
Процитировано
14
Scientific Reports, Год журнала: 2024, Номер 14(1)
Опубликована: Апрель 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
Язык: Английский
Процитировано
5
International review of cell and molecular biology, Год журнала: 2025, Номер unknown
Опубликована: Янв. 1, 2025
Язык: Английский
Процитировано
0
Pathology - Research and Practice, Год журнала: 2025, Номер 268, С. 155873 - 155873
Опубликована: Фев. 27, 2025
Язык: Английский
Процитировано
0
Proteomes, Год журнала: 2025, Номер 13(1), С. 12 - 12
Опубликована: Март 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.
Язык: Английский
Процитировано
0
Future Pharmacology, Год журнала: 2025, Номер 5(1), С. 11 - 11
Опубликована: Март 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.
Язык: Английский
Процитировано
0
Cancer Cell International, Год журнала: 2025, Номер 25(1)
Опубликована: Апрель 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.
Язык: Английский
Процитировано
0
Advances in Colloid and Interface Science, Год журнала: 2024, Номер 333, С. 103304 - 103304
Опубликована: Сен. 27, 2024
Язык: Английский
Процитировано
3