Fusion of Multi-Task Neurophysiological Data to Enhance the Detection of Attention- Deficit/Hyperactivity Disorder.

Objective: Attention-deficit/hyperactivity disorder (ADHD) is a childhood-onset neurodevelopmental disorder with a prevalence ranging from 6.1 to 9.4%.

Discovery of a novel benzimidazole conjugated quinazolinone derivative as a promising SARS-CoV-2 3CL protease inhibitor.

This report presents the design and synthesis of quinazolinone-based derivatives as promising SARS-CoV-2 3CL protease inhibitors. Two novel series, namely, febrifugine analogues 4a-i and quinazolinone conjugated benzimidazoles 9a-c, were successfully synthesized starting from isatoic anhydride. The synthesized quinazolinone derivatives were evaluated for their cytotoxicity against cancer cell lines and SARS-CoV-2 3CL inhibitory activity.

The lncRNA TPT1-AS1 promotes the survival of neuroendocrine prostate cancer cells by facilitating autophagy.

The lncRNA tumor protein translationally controlled 1-antisense RNA 1 (TPT1-AS1) is known for its oncogenic role in various cancers, but its impact on the pathological progression of prostate cancer remains unclear. Our previous study demonstrated that the RE1-silencing transcription factor (REST) regulates neuroendocrine differentiation (NED) in prostate cancer (PCA) by derepressing specific long non-coding RNAs (lncRNAs), including TPT1-AS1. In this study, we revealed that TPT1-AS1 is overexpressed in LNCaP and C4-2B cells after IL-6 and enzalutamide treatment.

A Study on Intelligent Optical Bone Densitometry.

Osteoporosis is a prevalent chronic disease worldwide, particularly affecting the aging population. The gold standard diagnostic tool for osteoporosis is Dual-energy X-ray Absorptiometry (DXA). However, the expensive cost of the DXA machine and the need for skilled professionals to operate it restrict its accessibility to the general public.

Enhancing photoluminescence performance of perovskite quantum dots with plasmonic nanoparticles: insights into mechanisms and light-emitting applications.

Perovskite quantum dots (QDs) are considered as promising materials for numerous optoelectronic applications due to their narrow emission spectra, high color purity, high photoluminescence quantum yields (PLQYs), and cost-effectiveness. Herein, we synthesized various types of perovskite QDs and incorporated Au nanoparticles (NPs) to systematically investigate the impact of plasmonic effects on the photoluminescence performance of perovskite QDs. The PLQYs of the QDs are enhanced effectively upon the inclusion of Au NPs in the solutions, with an impressive PLQY approaching 99% achieved.

Single-cell analysis of castration-resistant prostate cancers to identify potential biomarkers for diagnosis and prognosis of neuroendocrine prostate cancer.

The high heterogeneity and low percentage of neuroendocrine cells in prostate cancer limit the utility of traditional bulk RNA sequencing and even single-cell RNA sequencing to find better biomarkers for early diagnosis and stratification. Re-clustering of specific cell-type holds great promise for identification of intra-cell-type heterogeneity. However, this has not yet been used in studying neuroendocrine prostate cancer heterogeneity.

REST-repressed lncRNA LINC01801 induces neuroendocrine differentiation in prostate cancer via transcriptional activation of autophagy.

The association between REST reduction and the development of neuroendocrine prostate cancer (NEPC), a novel drug-resistant and lethal variant of castration-resistant prostate cancer (CRPC), is well established. To better understand the mechanisms underlying this process, we aimed to identify REST-repressed long noncoding RNAs (lncRNAs) that promote neuroendocrine differentiation (NED), thus facilitating targeted therapy-induced resistance. In this study, we used data from REST knockdown RNA sequencing combined with siRNA screening to determine that LINC01801 was upregulated and played a crucial role in NED in prostate cancer (PCa).

Mechanical codes of chemical-scale specificity in DNA motifs.

In gene transcription, certain sequences of double-stranded (ds)DNA play a vital role in nucleosome positioning and expression initiation. That dsDNA is deformed to various extents in these processes leads us to ask: Could the genomic DNA also have sequence specificity in its chemical-scale mechanical properties? We approach this question using statistical machine learning to determine the rigidity between DNA chemical moieties. What emerges for the polyA, polyG, TpA, and CpG sequences studied here is a unique trigram that contains the quantitative mechanical strengths between bases and along the backbone.

Lead-free europium and ytterbium perovskites.

Halide perovskite is a material with fantastic properties that could substantially impact next-generation optoelectronics. However, toxic Pb cations in the most excellent and stable perovskites have raised environmental concerns and hindered their commercialization. A new lead-free perovskite material needs to be discovered and address this issue.

Synthesis of tetrahydrochromenes and dihydronaphthofurans a cascade process of [3 + 3] and [3 + 2] annulation reactions: mechanistic insight for 6- and 5- cyclisation.

Substituted tetrahydrochromenes and dihydronaphthofurans are easily accessible by the treatment of β-tetralone with -β-nitro styrene derived Morita-Baylis-Hillman (MBH) acetates through a formal [3 + 3]/[3 + 2] annulation. The reaction proceeds through a cascade Michael/oxa-Michael pathway with moderate to good yields. A DFT study was carried out to account for the formation of the corresponding six and five-membered heterocycles 6- and 5- cyclization.

Stabile fluoro-benzene-based spacer for lead-free Dion-Jacobson perovskites.

Two-dimensional perovskite materials have been investigated as potential candidates for next-generation-wide band gap devices and lead-based perovskites are the most common materials within two-and three-dimensional structures due to their superior optoelectronic properties. Nevertheless, the stability and toxic element issues are the two significant shortcomings of device commercialization. The fluoro-benzene-based divalent ammonium spacer cations and replacing Zn with Pb will improve the two-dimensional perovskite stability.

Deglycosylation of SLAMF7 in breast cancers enhances phagocytosis.

N-linked glycosylation of proteins is one of the post-translational modifications (PTMs) that shield tumor antigens from immune attack. Signaling lymphocytic activation molecule family 7 (SLAMF7) suppresses cancer cell phagocytosis and is an ideal target under clinical development. PTM of SLAMF7, however, remains less understood.

Superrepellent Doubly Reentrant Geometry Promotes Antibiofouling and Prevention of Coronavirus Contamination.

The fomite transmission of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has drawn attention because of its highly contagious nature. Therefore, surfaces that can prevent coronavirus contamination are an urgent and unmet need during the coronavirus disease 2019 (COVID-19) pandemic. Conventional surfaces are usually based on superhydrophobic or antiviral coatings.

Aliovalent Dilute Doping and Nano-Moiré Fringe Advance the Structural Stability and Thermoelectric Performance in -ZnSb.

Thermoelectric (TE) generators have come a long way since the first commercial apparatus launched in the 1950s. Since then, the -ZnSb has manifested its potential as a cost-effective and environmentally friendly TE generator compared with the tellurium-bearing TE materials. Although the -ZnSb features an intrinsically low thermal conductivity , it suffers from a long-lasting structural instability issue arising from the highly mobile zinc ions.

tunable circular dichroism of flexible chiral metasurfaces composed of plasmonic nanorod trimers.

The circularly polarized light source is one of the keys to chiral photonic circuits and systems. However, it is difficult to integrate conventional light-emitting devices with circular polarization converters directly into compact chip-scale photonic systems partly because of their bulky structures. In this study, optical chirality tunable nanorod trimer metasurfaces consisting of two types of nanorod dimers are demonstrated and integrated with a flexible polydimethylsiloxane (PDMS) substrate.

Excited-state intramolecular proton transfer with and without the assistance of vibronic-transition-induced skeletal deformation in phenol-quinoline.

The excited-state intramolecular proton transfer (ESIPT) reaction of two phenol-quinoline molecules (namely PQ-1 and PQ-2) were investigated using time-dependent density functional theory. The five-(six-) membered-ring carbocycle between the phenol and quinolone moieties in PQ-1 (PQ-2) actually causes a relatively loose (tight) hydrogen bond, which results in a small-barrier (barrier-less) on an excited-state potential energy surface with a slow (fast) ESIPT process with (without) involving the skeletal deformation motion up to the electronic excitation. The skeletal deformation motion that is induced from the largest vibronic excitation with low frequency can assist in decreasing the donor-acceptor distance and lowering the reaction barrier in the excited-state potential energy surface, and thus effectively enhance the ESIPT reaction for PQ-1.

Aggregation-induced emission spectra of triphenylamine salicylaldehyde derivatives excited-state intramolecular proton transfer revealed by molecular spectral and dynamics simulations.

Aggregation-induced emission (AIE) spectra accompanied by excited state intramolecular proton transfer (ESIPT) for two triphenylamine salicylaldehyde derivatives (namely, TS and TS-OMe) are investigated by performing molecular spectral and dynamics simulations associated with the hybrid quantum mechanics/molecular mechanics (QM/MM) at the quantum level of the time-dependent density functional theory. The simulated emission spectral peaks and Stokes' shifts are in good agreement with the experimental results for both TS and TS-OMe. Furthermore, the AIE spectral mechanisms are well explained to be associated with the ESIPT processes for both TS and TS-OMe monomers in the aggregated crystal state, while the AIE spectra mechanism for the TS-OMe (TS) dimer is accompanied by intermolecular charge-transfer excitation process.

New aspect of photophysics of 7,7,8,8-tetracyanoquinodimethane and its solvated complexes: intra- inter-molecular charge-transfer.

We performed laser-induced fluorescence (LIF) spectroscopy of 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its solvated complexes with acetonitrile (ACN) and benzene (Bz), under the jet-cooled gas-phase condition. We also carried out fluorescence and its time profile measurements in TCNQ/Bz/hexane solution to compare with the gas-phase results. The LIF excitation spectrum of the S (ππ*)-S electronic transition of TCNQ monomer exhibited unusual vibronic structure with the maximum intensity at ∼3000 cm above the band origin.

Structure-mechanics statistical learning uncovers mechanical relay in proteins.

A protein's adaptive response to its substrates is one of the key questions driving molecular physics and physical chemistry. This work employs the recently developed structure-mechanics statistical learning method to establish a mechanical perspective. Specifically, by mapping all-atom molecular dynamics simulations onto the spring parameters of a backbone-side-chain elastic network model, the chemical moiety specific force constants (or mechanical rigidity) are used to assemble the rigidity graph, which is the matrix of inter-residue coupling strength.

Yolk-shell nanostructures: synthesis, photocatalysis and interfacial charge dynamics.

Solar energy has long been regarded as a promising alternative and sustainable energy source. In this regard, photocatalysts emerge as a versatile paradigm that can practically transform solar energy into chemical energy. At present, unsatisfactory conversion efficiency is a major obstacle to the widespread deployment of photocatalysis technology.

Total synthesis of landomycins Q and R and related core structures for exploration of the cytotoxicity and antibacterial properties.

Herein, we report the total synthesis of landomycins Q and R as well as the aglycone core, namely anhydrolandomycinone and a related core analogue. The synthesis features an acetate-assisted arylation method for construction of the hindered B-ring in the core component and a one-pot aromatization-deiodination-denbenzylation procedure to streamline the global functional and protecting group manuipulation. Subsequent cytotoxicity and antibacterial studies revealed that the landomycin R is a potential antibacterial agent against methicillin-resistant .