Langmuir : the ACS journal of surfaces and colloids
Dec 25, 2025
Protein adsorption on surfaces is a highly complex process, governed by intricate interactions between protein, surface and surrounding environment. However, accurately predicting protein adsorption amounts and precisely controlling adsorption behavi...
Journal of chemical information and modeling
Dec 19, 2025
Electrochemical carbon dioxide reduction (CORR) using electrocatalysts has gained attention for its potential to convert atmospheric CO into value-added chemicals. Recently, machine learning (ML) has emerged as a promising approach for catalyst devel...
Environmental geochemistry and health
Dec 10, 2025
Pharmaceutical pollutants are increasingly recognized as emerging contaminants in aquatic environments. Their persistence, bioactivity, and resistance to conventional treatment processes raise ecological and human health concerns, including the sprea...
Journal of chemical information and modeling
Nov 26, 2025
Incorporating five or more metals into a single structure creates a new family of alloys, high-entropy alloys (HEAs), which hold several exceptional properties, such as outstanding stabilities and continuous electronic structures, making them promisi...
The study investigates the application of Artificial Intelligence (AI) driven neural network time series (NNTS) model for the forecasting prediction of dye removal using ultrasonic activated mixed biomass. Surface and functional characterization of u...
Journal of controlled release : official journal of the Controlled Release Society
Nov 20, 2025
'Character is destiny' holds apt resonance in determining the biofate of nanocarriers, where the formation of biomolecular or protein corona (PC) around nanocarriers bestows a "new biological identity" different from their synthetic identity. The acq...
The precise prediction of adsorption process is significant in the optimization of pollutant removal systems. In this research, deep fuzzy neural network (DFNN) model was developed for the prediction of Zn(II) removal efficiency using alkaline activa...
Dissolved organic matter (DOM) plays an important role in microbial electron transfer, influencing elemental biogeochemical cycles and pollutant fate. However, its electron exchange capacity (EEC) can be strongly altered by ferrous {Fe(II)} oxidation...
Journal of chemical information and modeling
Oct 31, 2025
The stable adsorption behavior of ionic liquid lubricants at metal interfaces is a key mechanism for achieving their excellent friction-reducing and antiwear properties. This study employs a research strategy that combines high-throughput molecular d...
Per- and polyfluoroalkyl substances (PFASs), particularly trifluoroacetic acid (TFA), have emerged as global environmental pollutants due to their extreme persistence. Conventional treatment methods are largely ineffective, underscoring the need for ...
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