Improving binding affinity prediction by emphasizing local features of drug and protein.

Binding affinity prediction has been considered as a fundamental task in drug discovery. Despite much effort to improve accuracy of binding affinity prediction, the prior work considered only macro-level features that can represent the characteristics of the whole architecture of a drug and a target protein, and the features from local structure of the drug and the protein tend to be lost. In this paper, we propose a deep learning model that can comprehensively extract the local features of both a drug and a target protein for accurate binding affinity prediction.

FibVID: Comprehensive fake news diffusion dataset during the COVID-19 period.

As the SARS-CoV-2 (COVID-19) pandemic has run rampant worldwide, the dissemination of misinformation has sown confusion on a global scale. Thus, understanding the propagation of fake news and implementing countermeasures has become exceedingly important to the well-being of society. To assist this cause, we produce a valuable dataset called FibVID (Fake news information-broadcasting dataset of COVID-19), which addresses COVID-19 and non-COVID news from three key angles.

Universal inherent fluctuations in statistical counting of large particles in slurry used for semiconductor manufacturing.

In the chemical mechanical polishing process of semiconductor manufacturing, the concentration of 'large' particles ([Formula: see text]0.5 μm) in the slurry, which is considerably larger in size than the main abrasives ([Formula: see text] 0.1 μm), is a critical parameter that strongly influences manufacturing defects, yields, and reliabilities of large-scale-integrated circuits.

Rumor Propagation is Amplified by Echo Chambers in Social Media.

Spreading rumors on the Internet has become increasingly pervasive due to the proliferation of online social media. This paper investigates how rumors are amplified by a group of users who share similar interests or views, dubbed as an echo chamber. To this end, we identify and analyze 'rumor' echo chambers, each of which is a group of users who have participated in propagating common rumors.

Notch reporter activity in breast cancer cell lines identifies a subset of cells with stem cell activity.

Developmental pathways such as Notch play a pivotal role in tissue-specific stem cell self-renewal as well as in tumor development. However, the role of Notch signaling in breast cancer stem cells (CSC) remains to be determined. We utilized a lentiviral Notch reporter system to identify a subset of cells with a higher Notch activity (Notch(+)) or reduced activity (Notch(-)) in multiple breast cancer cell lines.

Degradation characteristics of metoprolol during UV/chlorination reaction and a factorial design optimization.

Metoprolol (MTP), a hypertension depressor, has been increasingly detected even after conventional water treatment processes. In this study, the removal of MTP was compared using chlorination (Cl2), UV-C photolysis, and UV/chlorination (Cl2/UV) reactions. The results showed that the UV/chlorination reaction was most effective for MTP removal.

Adsorption characteristics of selected hydrophilic and hydrophobic micropollutants in water using activated carbon.

In this study, we investigated adsorption characteristics of nine selected micropollutants (six pharmaceuticals, two pesticides, and one endocrine disruptor) in water using an activated carbon. The effects of carbon dosage, contact time, pH, DOM (dissolved organic matter), and temperature on the adsorption removal of micropollutants were examined. Increasing carbon dosage and contact time enhanced the removal of micropollutants.

Dye sensitization of four low index TiO2 single crystal photoelectrodes with a series of dicarboxylated cyanine dyes.

Four dicarboxylated cyanine dyes were used to sensitize single-crystal anatase (001), anatase (101), rutile (001), and rutile (100) surfaces. Incident photon to current efficiencies (IPCE) spectra and isotherms were gathered for the different combination of dyes and surfaces. The maximum coverage of the surface-bound dyes on the TiO2 crystal surfaces was determined by photochronocoulometric measurements.

Influence of surface chemistry on the binding and electronic coupling of CdSe quantum dots to single crystal TiO2 surfaces.

Sensitization of mesoporous nanocrystalline TiO(2) solar cells with quantum confined semiconductor nanocrystals (QDs) has some advantages over organic dyes or inorganic complex sensitizers, yet the reported efficiencies of laboratory devices are not currently competitive with those of dye sensitized cells. Several methods previously utilized to bind CdSe QDs to mesoporous TiO(2) films were investigated using low index faces of both anatase and rutile TiO(2) polytypes as model systems. The in situ ligand exchange method, where 3-mercaptopropionic acid (MPA) covered TiO(2) crystal surfaces are treated with trioctylphosphine (TOP)/trioctylphosphine oxide (TOPO) (TOP/TOPO)-capped CdSe QDs, resulted in very irreproducible and usually low sensitized photocurrents.