Consistent Construction of the Density Matrix from Surface Hopping Trajectories.

Proper construction of the density matrix based on surface hopping trajectories remains a difficult problem. Due to the well-known overcoherence in traditional surface hopping simulations, the electronic wave function cannot be used directly. In this work, we propose a consistent density matrix construction method, which takes the advantage of occupation of active states to rescale the coherence calculated by wave functions and ensures the intrinsic consistency of the density matrix.

Learning Decoherence Time Formulas for Surface Hopping from Quantum Dynamics.

Surface hopping simulations have achieved great success in many different fields, but their reliability has long been limited by the overcoherence problem. We here present a general machine learning assisted approach to identify optimal decoherence time formulas for surface hopping using exact quantum dynamics as references. In order to avoid computationally expensive force calculations, we use the nuclear kinetic energy and the adiabatic energy difference to iteratively generate the descriptor space.

A unified framework of mixed quantum-classical dynamics with trajectory branching.

As popular mixed quantum-classical dynamics methods, trajectory surface hopping and Ehrenfest mean field have been widely utilized to simulate nonadiabatic dynamics. Recently, we have proposed the branching-corrected surface hopping and the branching-corrected mean field methods, both of which closely reproduce the exact quantum dynamics in a series of standard scattering models. Here, the mixed surface hopping and mean field with branching correction (BCSHMF) is presented as a unified framework of mixed quantum-classical dynamics.

Consensus-Related Performance of Triplex MASs Based on Partial Complete Graph Structure.

This article mainly studies first-order coherence related to the robustness of the triplex MASs consensus models with partial complete graph structures; the performance index is studied through algebraic graph theory. The topologies of the novel triplex networks are generated by graph operations and the approach of graph spectra is applied to calculate the first-order network coherence. The coherence asymptotic behaviours of the three cases of the partial complete structures are analysed and compared.

A mixed deterministic-stochastic algorithm of the branching corrected mean field method for nonadiabatic dynamics.

We present a new algorithm of the branching corrected mean field (BCMF) method for nonadiabatic dynamics [J. Xu and L. Wang, J.

Branching and phase corrected surface hopping: A benchmark of nonadiabatic dynamics in multilevel systems.

Since the seminal work of Tully [J. Chem. Phys.

Clinical characteristics and related risk factors of disease severity in 101 COVID-19 patients hospitalized in Wuhan, China.

Coronavirus disease 2019 (COVID-19) broke out in December 2019. Due its high morbility and mortality, it is necessary to summarize the clinical characteristics of COVID-19 patients to provide more theoretical basis for future treatment. In the current study, we conducted a retrospective analysis of the clinical characteristics of COVID-19 patients and explored the risk factors for the severity of illness.

Urea-based amino sugar agent clears murine liver and preserves protein fluorescence and lipophilic dyes.

Five established clearing protocols were compared with a modified and simplified method to determine an optimal clearing reagent for three-dimensionally visualizing fluorophores in the murine liver, a challenging organ to clear. We report successful clearing of whole liver lobes by modification of an established protocol (UbasM) using only Ub-1, a urea-based amino sugar reagent, in a simpler protocol that requires only a 24-h processing time. With Ub-1 alone, we observed sufficiently preserved liver tissue structure in three dimensions along with excellent preservation of fluorophore emissions from endogenous protein reporters and lipophilic tracer dyes.

Branching Corrected Mean Field Method for Nonadiabatic Dynamics.

When nonadiabatic dynamics are described on the basis of trajectories, severe trajectory branching occurs when the nuclear wave packets on some potential energy surfaces are reflected while those on the remaining surfaces are not. As a result, the traditional Ehrenfest mean field (EMF) approximation breaks down. In this study, two versions of the branching corrected mean field (BCMF) method are proposed.

In vivo therapeutic success of MicroRNA-155 antagomir in a mouse model of pulmonary fibrosis induced by bleomycin.

Background/aims: MicroRNAs (miRNAs) play critical regulatory roles in the pathogenesis of pulmonary fibrosis. The aim of this study was to explore whether miRNA antagomirs could serve as potential therapeutic agents in interstitial lung diseases.

Methods: A mouse model of pulmonary fibrosis was established by intratracheal injection of bleomycin (BLM).

Rivaroxaban treatment for cancer-associated venous thromboembolism in a patient with heparin-induced thrombocytopenia: a case report.

Low molecular weight heparin (LMWH) is the first-line therapy in acute cancer-associated venous thromboembolism (CAT). However, heparin-induced thrombocytopenia (HIT) is a life-threatening adverse drug reaction that occurs in anticoagulation therapy with LMWH. This article reports the case of a 66-year-old Chinese male who received nadroparin 4100IU twice daily for treating CAT.

Branching corrected surface hopping: Resetting wavefunction coefficients based on judgement of wave packet reflection.

We present a new interpretation of the decoherence correction in surface hopping by examining the inconsistency of the traditional time-dependent Schrödinger equation and propose an elegant decoherence correction algorithm to deal with wave packet branching. In contrast to the widely used approaches based on decoherence rates, our branching corrected surface hopping (BCSH) resets the wavefunction directly after wave packet branching is identified through prediction of trajectory reflection. The appealing simplicity and reliability of BCSH are demonstrated in a series of widely studied one-dimensional and two-dimensional scattering models using exact quantum solutions and existing surface hopping approaches as references.

Prominin-1 Promotes Biliary Fibrosis Associated With Biliary Atresia.

In patients with biliary atresia (BA), the extent of intrahepatic biliary fibrosis negatively correlates with successful surgical bypass of the congenital cholangiopathy as well as subsequent transplant-free survival. We recently linked the expansion of a population of prominin-1 (Prom1)-expressing hepatic progenitor cells to biliary fibrogenesis. Herein, we hypothesized that Prom1-expressing progenitor cells play a role in BA-associated fibrosis.

Leukotriene B4 receptor 2 regulates the proliferation, migration, and barrier integrity of bronchial epithelial cells.

The airway epithelium plays a crucial role in the pathogenesis of asthma. The functions of leukotriene B4 receptor 2 (BLT2) on the airway epithelial cells remains unknown. In our study, BLT2 expression in 16HBE bronchial epithelial cells were manipulated by transfection with BLT2 overexpression plasmid or BLT2 small interference RNA.

Notch signaling promotes ductular reactions in biliary atresia.

Background: Biliary atresia (BA) is a congenital, progressive, fibro-obliterative disease of the extrahepatic biliary tree and the most common cause of end-stage liver disease in children. BA is characterized by extensive intrahepatic proliferating ductular reactions that may contribute to biliary fibrosis. Lineage tracing during experimental cholestasis indicates that cells within ductular reactions derive from PROM1-expressing hepatic progenitor cells.

Hepatic Prominin-1 expression is associated with biliary fibrosis.

Background: Intrahepatic biliary fibrosis, as seen with cholestatic liver injuries such as biliary atresia, is mechanistically distinct from fibrosis caused by hepatocyte toxicity. We previously demonstrated the expansion of cells expressing the stem/progenitor cell marker Prominin-1, within regions of developing fibrosis in biliary atresia. Thus, we hypothesized that Prominin-1 expression is biliary fibrosis-specific.

Modelling Seasonal Brucellosis Epidemics in Bayingolin Mongol Autonomous Prefecture of Xinjiang, China, 2010-2014.

Brucellosis is one of the severe public health problems; the cumulative number of new human brucellosis cases reached 211515 from 2010 to 2014 in China. Bayingolin Mongol Autonomous Prefecture is situated in the southeast of Xinjiang, where brucellosis infection occurs every year. Based on the reported data of newly acute human brucellosis cases for each season in Bayingolin Mongol Autonomous Prefecture, we proposed a susceptible, exposed, infected, and vaccinated (SEIV) model with periodic transmission rates to investigate the seasonal brucellosis transmission dynamics among sheep/cattle and from sheep/cattle to humans.

Cyclophosphamide Combined with Bone Marrow Mesenchymal Stromal Cells Protects against Bleomycin-induced Lung Fibrosis in Mice.

Introduction: To examine the effects and possible mechanism of the immunosuppressant agent cyclophosphamide (CP) combined with bone marrow mesenchymal stromal cells (BM-MSCs) on bleomycin induced lung fibrosis in mice.

Methods: BM-MSCs labeled with red fluorescence protein (RFP) from male Friend virus B-type(FVB) mice were cultured in vitro. Pulmonary fibrosis(PF) was induced in female wild type FVB mice and mice were randomly divided into five groups: control, model, CP, BM-MSCs, and BM-MSCs+CP.

Prevention of Pulmonary Fibrosis via Trichostatin A (TSA) in Bleomycin Induced Rats.

Purpose: To investigate the effects of non selective histone deacetylase inhibitors Trichostatin A (TSA)on bleomycin-induced pulmonary fibrosis. To investigate the effects of non selective histone deacetylase inhibitors Trichostatin A ( TSA ) on HDAC2, p-SMAD2, HDAC2 mRNA, SMAD2mRNA in pulmonary fibrosis rats and investigate impossible mechanism.

Methods: 46 SPF level male SD rats were randomly divided into four groups: ten for normal control group, fourteen for model control group I, twelve for model control group II and ten for treatment group.

Performance of a constructed wetland in treating brackish wastewater from commercial recirculating and super-intensive shrimp growout systems.

A recirculating aquaculture system was developed for treating Pacific white shrimp (Litopenaeus vannamei) production wastewater using an integrated vertical-flow (IVF) and five connected integrated horizontal flow (IHF) constructed wetlands as water treatment filters for mesohaline conditions (8.25‰-8.26‰ salinity).