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Introduction: We conducted a panoramic analysis of GBN5 expression and prognosis in 33 cancers, aiming to deepen the systematic understanding of GBN5 in cancer. Materials and methods: We employed a multi-omics approach, including transcriptomic, genomic, proteomic, single-cell cytomic, spatial transcriptomic, and genomic data, to explore the prognostic value and potential oncogenic mechanisms of GBN5 across pan-cancers from multiple perspectives. Results: We found that GBN5 was differentially expressed in multiple tumors and showed early diagnostic value. Mutations, somatic copy number alterations, and DNA methylation lead to its aberrant expression. GBN5 expression is associated with many clinical features. GBN5 expression has been validated to be associated with many metabolic, metastatic, and immune-related pathways. We also demonstrated that GBN5 expression was significantly associated with immunomodulatory molecules and biomarkers of lymphocyte subpopulation infiltration. Methylation levels of GBN5 expression were significantly negatively correlated in a variety of tumors, and GBN5 missense mutations were the predominant SNP type in pan-cancer. In addition, GBN5 was positively correlated with multiple genomic scores, implying that higher GBN5 expression tends to imply that patients have higher chromosomal instability. More importantly, GBN5 has an important role in predicting drug sensitivity. We have also developed effective targeted drugs against GBN5. Conclusion: GBN5 plays an important role in the genesis and progression of various tumors and is a potential tumor diagnostic and prognostic biomarker as well as an anti-cancer therapeutic target. [ABSTRACT FROM AUTHOR]

Multidrug-resistant tuberculosis (MDR-TB) has become a critical challenge to public health, and the prevention and treatment of MDR-TB are of great significance in reducing the global burden of tuberculosis. How to improve the effectiveness and safety of chemotherapy for MDR-TB is a pressing issue that needs to be addressed in tuberculosis control efforts. This article provides a comprehensive review of the clinical application of new antituberculosis drugs in MDR-TB, aiming to provide a scientific basis for the prevention and treatment strategy of MDR-TB. [ABSTRACT FROM AUTHOR]

Glechoma longituba has been frequently used in treating urolithiasis and cholelithiasis due to the presence of flavonoids, which are its major bioactive constituents. However, research on the molecular background of flavonoid biosynthesis in G. longituba is limited. In this study, we used single‐molecule real‐time combined with next‐generation sequencing technologies to construct the complete transcriptome of G. longituba. We identified 404,648 non‐redundant transcripts, including 249,697 coding sequences, 197,811 simple sequence repeats, 174,846 long noncoding RNA, and 176,554 coding RNA. Moreover, we functionally annotated 346,218 isoforms (85.56%) and identified 86,528 differentially expressed genes. We also identified 55 non‐redundant full‐length isoforms related to the flavonoid biosynthetic pathway. Pearson correlation analysis revealed that the expression levels of some key genes of the flavonoid biosynthesis pathway were significantly positively correlated with the flavonoid metabolites. Furthermore, we performed bioinformatics analysis (sequence and structural) of isoform_47029 (encoding flavanone 3‐hydroxylase) and isoform_53692 (encoding flavonol synthase) to evaluate their potential biological functions. Finally, we validated gene expression levels of 12 flavonoid‐related key enzyme genes using quantitative real‐time PCR. Overall, this study provides full‐length transcriptome information on G. longituba for the first time and valuable molecular resources for further research on the medicinal properties of this plant. [ABSTRACT FROM AUTHOR]

Zero‐dimensional metal halides have attracted much attention due to their attractive photoelectric properties. Here, we propose a new strategy of synthesizing metal halides crystals by recrystallization in water. The as‐synthesized Cs2InCl5(H2O)‐orange crystals are dissolved and recrystallized in water (Cs2InCl5(H2O)‐blue), with its photoluminescence (PL) changing from orange to blue, both of which are derived from self‐trapping excitons (STEs). The time‐resolved photoluminescence (TRPL) spectrum of Cs2InCl5(H2O)‐blue shows that it has an ultralong lifetime up to milliseconds (τ=52.98 ms), which is expected to be applied in biological sensors. The photoluminescence quantum yield (PLQY) increases from 2.25% to 11.61% in the self‐assembly process. By using a post‐doping method, the PL of crystals turns into red when we introduce Mn2+ as dopant while there is no obvious change upon using a traditional solvent‐thermal method. Recrystallization in water and post‐doping provide a new perspective for the synthesis and doping of metal halides. [ABSTRACT FROM AUTHOR]

A time-dependent wavepacket diffusion method is proposed to deal with charge transport in organic crystals. The electron-phonon interactions in both site energies and electronic couplings are incorporated by the time-dependent fluctuations which are generated from the corresponding spectral density functions. The numerical demonstrations reveal that the present approach predicts the consistent charge carrier dynamics with the rigorous quantum approaches. In addition, the diffusion coefficients obtained from the Marcus formula are well reproduced at the weak electronic coupling and high temperature limits. It is also found that the charge mobility feature of the crossover from the band-like to the hopping-type cannot be predicted from the fluctuations induced by the linear electron-phonon interactions with an Ohmic spectral density; however, it indeed appears as the electronic coupling fluctuation exponentially depends on the nuclear coordinates. Finally, it should be noted that although the present approach neglects the imaginary fluctuation, it essentially incorporates the coherent motion of the charge carrier and quantum effect of the phonon motion with a broad regime of the fluctuations for symmetric systems. Besides, the approach can easily be applied to systems having thousands of sites, which allows one to investigate charge transport in nanoscale organic crystals. [ABSTRACT FROM AUTHOR]

Although the carriers in organic semiconductors commonly follow the hopping-type motions caused by strong carrier-phonon interactions, they can also present a band-like behavior in well-performed organic crystals. In this article, we review a unified model to describe the carrier dynamics covering from the hopping-type to band-like motions, the time-dependent wavepacket diffusion method proposed in our group recently. In the method, the effects of vibrational motions of organic molecules and inter or intramolecular electronic couplings are considered as the fluctuations to the carrier dynamics. Numerical simulations demonstrate that the computational cost of present method is similar to that of mixed quantum-classical methods, but it overcomes the deficiency in those methods that the detailed balance principle is not satisfied. We further present how to combine electronic structure calculations and molecular dynamics simulations with the present model to reveal the carrier dynamics in realistic organic semiconductors. © 2014 Wiley Periodicals, Inc. [ABSTRACT FROM AUTHOR]

The electron mobilities of two n-type pentacenequinonederivativeorganic semiconductors, 5,7,12,14-tetraaza-6,13-pentacenequinone (TAPQ5)and 1,4,8,11-tetraaza-6,13-pentacenequinone (TAPQ7), are investigatedwith use of the methods of electronic structure and quantum dynamics.The electronic structure calculations reveal that the two key parametersfor the control of electron transfer, reorganization energy and electroniccoupling, are similar for these two isomerization systems, and thecharge carriers essentially display one-dimensional transport properties.The mobilities are then calculated by using the time-dependent wavepacketdiffusion approach in which the dynamic fluctuations of the electroniccouplings are incorporated via their correlation functions obtainedfrom molecular dynamics simulations. The predicted mobility of TAPQ7crystal is about six times larger than that of TAPQ5 crystal. Mostinterestingly, Fermi’s golden rule predicts the mobilitiesvery close to those from the time-dependent wavepacket diffusion method,even though the electronic couplings are explicitly large enough tomake the perturbation theory invalid. The possible reason is analyzedfrom the dynamic fluctuations. [ABSTRACT FROM AUTHOR]