Identification of RdRp-NiRAN/JAK1 Dual-Target Drugs for COVID-19 Treatment.

Inhibition of virus replication and inflammatory response is important for the treatment of severe COVID-19 patients. RNA-dependent RNA polymerase (RdRp) is indispensable for SARS-CoV-2 replication, and Janus kinase (JAK) 1 inhibitors exert immunosuppressive effects. RdRp/JAK1 dual-target drugs are expected to ameliorate the severity of the COVID-19 disease.

Molecular docking with conformer-dependent charges.

Determination of protein-ligand interactions is crucial for structure-based drug design. But, accurate prediction of the binding structures of protein-ligand is still a major challenge for molecular docking methods. Herein, we developed molecular docking with conformer-dependent charges (MDCC), a docking method to combine conformational search with RESP charges.

The Utility of a Novel Neuropsychological Measurement to Analyze Event-Related Attentional Behaviors among Young Children with Attention Deficit Hyperactivity Disorder-a Pilot Study.

Objective: The identification and diagnosis of children with attention deficit hyperactivity disorder (ADHD) traits is challenging during the preschool stage. Neuropsychological measures may be useful in early assessments. Furthermore, analysis of event-related behavior appears to be an unmet need for clinical treatment planning.

A new method of construction waste classification based on two-level fusion.

The automatic sorting of construction waste (CW) is an essential procedure in the field of CW recycling due to its remarkable efficiency and safety. The classification of CW is the primary task that guides automatic and precise sorting. In our work, a new method of CW classification based on two-level fusion is proposed to promote classification performance.

A Belief Two-Level Weighted Clustering Method for Incomplete Pattern Based on Multiview Fusion.

Incomplete pattern clustering is a challenging task because the unknown attributes of the missing data introduce uncertain information that affects the accuracy of the results. In addition, the clustering method based on the single view ignores the complementary information from multiple views. Therefore, a new belief two-level weighted clustering method based on multiview fusion (BTC-MV) is proposed to deal with incomplete patterns.

In silico design of metal-free hydrophosphate catalysts for hydrogenation of CO to formate.

CO reduction by H using metal-free catalysts is highly challenging. Frustrated Lewis pairs (FLPs) have been considered potential metal-free catalysts for this reaction. However, most FLPs are unstable, which limits their practical applications.

Both happy and sad melodies modulate tonic human heat pain.

Unlabelled: The mechanism of music effects on pain perception remains to be elucidated. To determine which component (mood or valence) of music is more important in music-induced hypoalgesia, we compared the effects of 2 melodies with different moods (happy vs sad) but with the same degree of valence (pleasant vs unpleasant) to an affective neutral lecture and a control (baseline) on the objective and subjective responses to tonic heat pain. Our hypothesis was that if mood was the key component, the happy melody would reduce pain, whereas the sad one would exacerbate pain; and if valence is the key component, the 2 melodies would both alleviate pain.

EEG default mode network in the human brain: spectral regional field powers.

Eyes-closed (EC) and eyes-open (EO) are essential behaviors in mammalians, including man. At resting EC-EO state, brain activity in the default mode devoid of task-demand has recently been established in fMRI. However, the corresponding comprehensive electrophysiological conditions are little known even though EEG has been recorded in humans for nearly 80 years.