Profiling Electronic and Phononic Band Structures of Semiconductors at Finite Temperatures: Methods and Applications

Semiconductor devices are often operated at elevated temperatures that are well above zero Kelvin,which is the temperature in most first-principles density functional calculations.Computational approaches to com-puting and understanding the properties of semiconductors at finite temperatures are thus in critical demand.In this review,we discuss the recent progress in computationally assessing the electronic and phononic band structures of semiconductors at finite temperatures.As an emerging semiconductor with particularly strong temperature-induced renormalization of the electronic and phononic band structures,halide perovskites are used as a representative example to demonstrate how computational advances may help to understand the band struc-tures at elevated temperatures.Finally,we briefly illustrate the remaining computational challenges and outlook promising research directions that may help to guide future research in this field.

Prediction of genetic alterations from gastric cancer histopathology images using a fully automated deep learning approach

BACKGROUND Studies correlating specific genetic mutations and treatment response are ongoing to establish an effective treatment strategy for gastric cancer(GC).To facilitate this research,a cost-and time-effective method to analyze the mutational status is necessary.Deep learning(DL)has been successfully applied to analyze hematoxylin and eosin(H and E)-stained tissue slide images.AIM To test the feasibility of DL-based classifiers for the frequently occurring mutations from the H and E-stained GC tissue whole slide images(WSIs).METHODS From the GC dataset of The Cancer Genome Atlas(TCGA-STAD),wildtype/mutation classifiers for CDH1,ERBB2,KRAS,PIK3CA,and TP53 genes were trained on 360×360-pixel patches of tissue images.RESULTS The area under the curve(AUC)for the receiver operating characteristic(ROC)curves ranged from 0.727 to 0.862 for the TCGA frozen WSIs and 0.661 to 0.858 for the TCGA formalin-fixed paraffin-embedded(FFPE)WSIs.The performance of the classifier can be improved by adding new FFPE WSI training dataset from our institute.The classifiers trained for mutation prediction in colorectal cancer completely failed to predict the mutational status in GC,indicating that DL-based mutation classifiers are incompatible between different cancers.CONCLUSION This study concluded that DL could predict genetic mutations in H and E-stained tissue slides when they are trained with appropriate tissue data.

Time and department distribution of hypoglycemia occurrences in hospitalized diabetic patients

Hypoglycemia occurred on hospitalized patients would result in severe complications.So we monitored the blood glucose of hospitalized patients with diabetes in 14 clinical departments from January to December 2013.Totally 105728 cases of blood glucose were monitored and 1374 cases of hypoglycemia were detected.The incidence of hypoglycemia was 1.29%.Among which,317 cases of severe hypoglycemia were detected and the incidence of severe hypoglycemia was 0.29%.The peak periods of hypoglycemia were 0:00~2:00,22:00~24:00,2:00~4:00,8:00~10:00 and 10:00~12:00.The symptomatic hypoglycemia accounted for 47.01%,The asymptomatic hypoglycemia accounted for 52.98%.The incidence of hypoglycemia was 1.49%in medical departments and 0.87%in surgical departments.It is suggested to be vigilant of high risk periods of hypoglycemia,detect and treat asymptomatic hypoglycemia timely and rationally administer antidiabetics to prevent hypoglycemia.

Traditional Chinese medicine:an important broad-spectrum anti-coronavirus treatment strategy on COVID-19 background?

Coronaviruses exist widely in nature,can cause cross-species transmission,and pose serious threats to human and animal health.Over the past 20 years,coronaviruses have led to three major epidemics that have caused global panic,including severe acute respiratory syndrome,Middle East respiratory syndrome,and coronavirus disease-19.At present,coronavirus disease 19 not only spreads rapidly,but also mutates easily to escape host immune response,becoming more pathogenic.At present,there are no effective specific therapeutic drugs or vaccines.Drugs targeting severe acute respiratory syndrome coronavirus 2 and the host cell defense system that have been developed based on the structure and replication cycle of coronaviruses have a certain broad-spectrum antiviral effect;however,their efficacy still needs to be demonstrated in further clinical trials.Traditional Chinese medicine has an indispensable role in the ongoing response to coronavirus disease-19.Anti-virus treatment with traditional Chinese medicine has advantages such as broad-spectrum application,low toxicity and side effects,low susceptibility to drug resistance,and overall comprehensive regulation.Therefore,researches on effective components and mechanisms of action of the anti-viral effects of traditional Chinese medicine have increasingly gained attention.The present paper examines coronaviruses,specifically summarizing the genomes,replication mechanisms,and mutant strains.Afterward,the therapeutic effects and mechanisms of action of modern broad-spectrum anti-coronavirus drugs and traditional Chinese medicine are summarized.By considering the virus and the targets in the host comprehensively,in addition to the beneficial multi-target and multi-path antiviral effects of traditional Chinese medicines,this paper could guide the development of treatment strategies for broad-spectrum anti-coronavirus traditional Chinese medicines,and could facilitate the modernization and globalization of traditional Chinese medicine.

Bioelectrical Impedance Phase Angle as a Predictors of Mortality in Patients with Lung Cancer:a Prospective Study

Objective Bioelectrical impedance analysis(BIA)is used to measure a patient's body composition.The phase angle(PA),the major parameter in BIA,is one of the most sensitive indicators of malnutrition.The aim of the current study was to investigate whether the PA can be used to predict survival in lung cancer patients.Methods One hundred sixty-six lung cancer patients were prospectively included from January 2014 to August 2016 in Daping Hospital.Anthropometric measurements,hematological values,the nutritional risk screening(NRS 2002)score,patient generated-subjective global assessment(PG-SGA)score,Karnofsky performance status(KPS)scale,European Organization for Research and Treatment of Cancer Core Quality of Life Questionnaire(EORTC QLQ C-30)score,and BIA were investigated within 48 hours after admission to the hospital.A Spearman correlation analysis was applied to test the correlations between the study characteristics and PA.A Kaplan-Meier analysis and log-rank test were conducted to analyze the association between the overall survival(OS)and PA.Results The mean age for all patients was 63 years old(42 females and 124 males).The median PA was 5.5°(4.70°,6.23°).The PA was positively associated with the body mass index,hand grip strength,mid-arm circumference,mid-arm muscle circumference,albumin,prealbumin,C-reactive protein,red blood cells,hemoglobin and KPS score.The PG-SGA scores,QLQ-C30 score,and NRS2002 score showed a significant negative association with the PA.According to a multivariate analysis,the PA(HR=0.47;95%CI:0.27-0.81)was independent predictor of the lung cancer patients'long-term OS.Patients with a higher PA(≥5°)had better overall survival(median=426 days)compared to those with a lower PA(<5°)(median=96 days)based on the one-year follow-up data(P<0.0001).Conclusions These studies indicate that the PA is a sensitive and early indicator to predict survival in lung cancer patients.

Strain tunable band structure of a new 2D carbon allotrope C568

Recently,C568 has emerged as a new carbon allotrope,which shows semiconducting properties with a band gap around 1 eV and has attracted much attention.In this work,the external strain effects on the electronic properties of C568 have been studied theoretically through first-principle calculations.The numerical results show that while in-plane uniaxial and biaxial strains both reduces the band gap of C568 in case of tensile strain,their effects are quite different in the case of compressive strain.With increasing compressive uniaxial strain,the band gap of C568 first increases,and then dramatically decreases.In contrast,the application of compressive biaxial strain up to -10% only leads to a slight increase of band gap.Moreover,an indirect-todirect gap transition can be realized under both types of compressive strain.The results also show that the optical anisotropy of C568 can be induced under uniaxial strain,while biaxial strain does not cause such an effect.These results indicate good strain tunability of the band structure of C568,which could be helpful for the design and optimization of C568-based nanodevices.

Advances and challenges in DFT-based energy materials design

The growing worldwide energy needs call for developing novel materials for energy applications.Ab initio density functional theory(DFT)calculations allow the understanding and prediction of material properties at the atomic scale,thus,play an important role in energy materials design.Due to the fast progress of computer power and development of calculation methodologies,DFT-based calculations have greatly improved their predictive power,and are now leading to a paradigm shift towards theory-driven materials design.The aim of this perspective is to introduce the advances in DFT calculations which accelerate energy materials design.We first present state-of-the-art DFT methods for accurate simulation of various key properties of energy materials.Then we show examples of how these advances lead to the discovery of new energy materials for photovoltaic,photocatalytic,thermoelectric,and battery applications.The challenges and future research directions in computational design of energy materials are highlighted at the end.

Network pharmacology analysis combined with experimental verification of the molecular mechanism of Xihuang pill in treating liver cancer

Background:Xihuang pill is a kind of traditional Chinese medicine,which has been widely used in the treatment of kinds of cancer.However,there is still a lack of systematic understanding of the molecular mechanism of Xihuang pill in the treatment of liver cancer.In this work,we aim to explore the molecular mechanism of Xihuang pill in treating liver cancer.Methods:The functional components in Xihuang pill were collected from Traditional Chinese Medicine Database and Analysis Platform.The target genes of these components were also collected using Traditional Chinese Medicine Database and Analysis Platform.The target genes of liver cancer were predicted using GeneCards database.The intersecting genes were then analyzed with Venn diagrams.Kyoto Encyclopedia of Genes and Genomes and Database for Annotation,Visualization,and Integrated Discovery were used to analyze the pathway.Then,cell counting kit-8 was used to measure the half-maximal inhibitory concentration of Xihuang pills.The living dead cell staining method was used to observe the survival of cells.HepG2 cell apoptosis was tested by flow cytometry with fluorescein isothiocyanate/propidium iodide double staining method,and then the mitochondrial damage was also detected by flow cytometry.The expression of target genes was detected by quantitative real-time polymerase chain reaction.Results:A total of 130 compounds and 198 genes were identified as potential active ingredients and putative liver cancer‑related targets.We obtained 1,899 disease targets and 297 transcriptome targets from the database.Six drug-disease intersecting genes,CCNB1,BIRC5,TOP2A,ESR1,IGF2 and IGFBP3 were obtained.They are enrichment in apoptosis,PI3K-AKT signaling pathway,MAPK signaling pathway,pathways in cancer and p53 signaling pathway.Besides,it was found that the apoptosis rate of the HepG2 cells in Xihuang pill treated group was significantly higher than that of the control group.And the apoptosis rate gradually increased in a dose dependent manner of Xihuang pill treatment.Xihuang pill also induced the mitochondrial membrane potential damage.Compared with the control group,the expression level of CCNB1 and BIRC5 was induced,while the expression level of IGF2 was reduced after Xihuang pill treatment.Conclusion:Xihuang pill may act on six proteins(CCNB1,BIRC5,TOP2A,ESR1,IGF2 and IGFBP3)and cover multiple pathways to form a therapeutic network to treat liver cancer.

Danlu Tongdu tablets treat lumbar spinal stenosis through reducing reactive oxygen species and apoptosis by regulating CDK2/CDK4/CDKN1A expression

Lumbar spinal stenosis is caused by the compression of the nerve root or cauda equina nerve by stenosis of the lumbar spinal canal or intervertebral foramen,and is manifested as chronic low back and leg pain.Danlu Tongdu(DLTD)tablets can relieve chronic pain caused by lumbar spinal stenosis,but the molecular mechanism remains largely unknown.In this study,the potential molecular mechanism of DLTD tablets in the treatment of lumbar spinal stenosis was first predicted by the network pharmacology method.Results showed that DLTD functions in regulating anti-oxidative,apoptosis,and inflammation signaling pathways.Furthermore,the flow cytometry results showed that DLTD tablets efficiently reduced reactive oxygen species content and inhibited rat neural stem cell apoptosis induced by hydrogen peroxide.DLTD also inhibited the mitochondrial membrane potential damage induced by hydrogen peroxide.Elisa analysis showed that DLTD induced cell cycle-related protein,CDK2 and CDK4,and reduced CDKN1A protein expression level.Taken together,our study provided new insights of DLTD in treating lumbar spinal stenosis through reducing reactive oxygen species content,decreasing apoptosis by inhibiting CDKN1A and promoting CDK2 and CDK4 expression levels.

Advances in traditional Chinese medicine for respiratory disease therapy in 2021

Respiratory diseases are common conditions that endanger human health.Their etiology,pathogenesis,and prognosis are complex,and clinical research has been extensive.This paper reviews studies from the PubMed database to assess the progress of traditional Chinese medicine in the treatment of respiratory diseases in 2021,focusing on related animal and cell models of coronavirus disease 2019.Traditional Chinese medicine extracts,such as polysaccharides and emodin,and classic prescriptions,such as Mahuang decoction,respond to the treatment of influenza by reducing viral infections and regulating the body’s immune response.Chinese herbal extracts,such as schizandra B and andrographolide,treat asthma by inhibiting inflammatory response pathway formation,NLRP3 inflammasome formation,oxidative stress,and autophagy.Traditional Chinese medicine extracts such as fucoxanthin,and proprietary Chinese medicines such as the Xihuang pill is used in the treatment of lung cancer,as it regulates the cell cycle,inhibit tumor cell proliferation,and enhance the body’s immune function.Classic formulas such as the kidney tonic lung formula and proprietary Chinese medicine,such as compound grass stone silkworm granules,relieve airway inflammation and improve lung function in chronic obstructive pulmonary disease.Chinese herbal extracts,such as jostilbene and sage phenol,inhibit epithelial cell-mesenchymal transformation and regulate the levels of inflammatory factors to treat idiopathic pulmonary fibrosis to provide a reliable basis for the treatment of respiratory diseases.

A New Beam Selection Method for MLC-Based Robotic Radiotherapy

Purpose: The CyberKnife system equipped with multileaf collimator (MLC) has been shown promising in treatment-time reduction and plan-quality improvement, because of the enhanced coverage of larger lesions and the improved target conformity. In this study, we aim to develop an efficient non-coplanar beam selection program for CyberKnife-based IMRT. Method: The candidate beam set in this study consists of 94 non-coplanar beams, each defined by a vector connecting a CyberKnife node and a target point. Our goal is to choose an adequately small number of beams that will allow the generation of high quality IMRT plans. We use the beam coverage of patient-surface as a surrogate for the solution space of beamlet-based inverse planning. Based on body-surface coverage and beam-projection overlap on the surface, a beam-selection program was developed. To evaluate the effectiveness of the beam selection method, IMRT plans with the selected beams for different treatment sites were generated using the Varian Eclipse treatment planning system and compared with the IMRT plans with conventional coplanar beams. Results: Our program efficiently selected a subset of relatively small number of non-coplanar beams, while pre-serving the body-surface coverage and therefore the solution space for inverse planning optimization. For example, a set of 17 beams were selected for a pancreatic cancer case, covering 92.5% of the surface area which was covered by all the 94 candidate beams with the same field size. The IMRT plans with the selected beams show superior quality with dramatically improved critical structure sparing, as compared with the clinically approved IMRT plans. Conclusion: One can efficiently select effective sets of non-coplanar beams with our program, which allow the generation of high-quality plans for MLC-based robotic radiotherapy.

永磁电机无传感器的控制方法

使用内置永磁电机，高频信号注入法可以提供精确的速度控制，而不需要反馈传感器。

Prediction and validation of molecular biological mechanism of Fuzheng Huayu capsule in the treatment of liver cancer

Background:Fuzheng Huayu capsule(FZHY)combined with antiviral treatment has been shown to significantly reduce the risk of liver cancer in patients with hepatitis B cirrhosis.However,the potential of FZHY to directly treat liver cancer remains largely unknown.This study aims to investigate the molecular mechanism underlying the potential of FZHY in treating liver cancer.Methods:A network pharmacological analysis was performed using the Traditional Chinese Medicine Systems Pharmacology database to identify FZHY compounds and targets.Disease targets were searched using the Genecards database,and transcriptome data was downloaded from the NCBI database.Gene Ontology analysis was conducted using the DAVID database,and Kyoto Encyclopedia of Genes and Genomes analysis was based on KOBAS and bioinformatics methods.The Swissdock database was used for molecular docking.In cell experiments,the half inhibitory concentration(IC50)of FZHY was determined using the CCK8 method.The effects of FZHY on cell viability,apoptosis,and mitochondrial membrane potential were evaluated using a fluorescence microscope and flow cytometry.The molecular mechanism of FZHY in treating liver cancer was verified using quantitative polymerase chain reaction.Results:A total of 127 compounds and 184 proteins were identified as potential active ingredients and putative liver cancer-related targets.Additionally,1,899 liver cancer targets,279 transcriptome targets,and 3 pathways(p53 signaling pathway,apoptosis and PI3K-Akt pathway)were collected.The FZHY-targets-liver cancer interaction network was constructed.IC50 of FZHY lyophilized powder solution to liver cancer was 5.13 mg/mL(IC50=5.13 mg/mL).FZHY treatment led to an increase in the ratio of cell apoptosis and induced mitochondrial membrane potential damage,resulting in an increase in the number of dead cells.The expression levels of CCNB1 and BIRC5 were induced with FZHY treatment,while the expression levels of AKR1C3 and IGF2 were reduced.Conclusion:FZHY promotes apoptosis of liver cancer cells by acting on the p53 signaling pathway,apoptosis,and PI3K-Akt pathway.CCNB1,BIRC5,AKR1C3,and IGF2 are potential target proteins for FZHY in treating liver cancer.

基于物联网的水肥一体化系统设计与试验

为实现温室水肥一体化系统的监控和管理,设计基于物联网的水肥-一体化系统。系统设计采用物联网架构,采集控制层通过STM32单片机采集温室环境参数,通过PLC采集执行模块的工作参数并控制水泵和阀门完成施肥灌溉,通过GPRS将数据传输到应用层。Web应用层采用B/S架构设计开发,以MySQL为数据库管理系统,以Java语言开发系统的功能模块。该系统经运行测试,水肥一体化执行模块通过PID控制响应速度快,超调量为6.8%,水肥混合液EC值最大绝对误差为0.5 mS/cm。

Analysis and construction status of SG-Ⅱ 5PW laser facility

We present a recent progress of the SG-II 5 PW facility, which designed a multi-petawatt ultrashort pulse laser based on optical parametric chirped-pulse amplification(OPCPA). The prior two optical parametric amplifiers have been accomplished and chirped pulses with an energy of 49.7 J and a full-width-at-half-maximum(FWHM) spectrum bandwidth of 85 nm have been achieved. In the PW-scale optical parametric amplification(OPA), with the pump pulse that has an energy of 118 J from the second harmonic generation of the SG-II 7 th beam, the pump-to-signal conversion efficiency is up to 41.9%, which to the best of our knowledge is the highest among all of the reported values for OPCPA systems. The compressed pulse is higher than 37 J in 21 fs(1.76 PW), and the focal spot is ～10 μm after the closed-loop corrections by the adaptive optics. Limited by the repetition of the pump laser, the SG-II 5 PW facility operates one shot per hour. It has successfully been employed for high energy physics experiments.

Design and experimental demonstration of a high conversion efficiency OPCPA pre-amplifier for petawatt laser facility

We present the design and experiment of a broadband optical parametric chirped-pulse amplifier(OPCPA) which provides high conversion efficiency and good beam quality at 808 nm wavelength. Using a three-dimensional spatial and temporal numerical model, several design considerations necessary to achieve high conversion efficiency, good beam quality and good output stability are discussed. To improve the conversion efficiency and broaden the amplified signal bandwidth simultaneously, the nonlinear crystal length and OPCPA parameters are analyzed and optimized with the concept of dissipating amplified idler between optical parametric amplification(OPA) of two crystals configuration.In the experiment, an amplifier consisting of two OPCPA stages of ‘L’ type configuration was demonstrated by using the optimized parameters. An amplified signal energy of 160 mJ was achieved with a total pump-to-signal efficiency of 35%(43% efficiency for the OPCPA stage 2). The output bandwidth of signal pulse reached 80 nm and the signal pulse was compressed to 24 fs. The energy stability reached 1.67% RMS at 3% pump energy variation. The optimized OPCPA amplifier operates at a repetition rate of 1 Hz and is used as a front-end injection for the main amplifier of SG-II 5PW laser facility.

基于各向异性二维半导体GeSe的双波段实时目标识别图像传感器

实时多光谱成像技术能够显著增强图像传感器的感知能力,有效提高基于实时成像和计算机视觉人工智能系统的准确性和鲁棒性,在自动驾驶、遥感和安防监控等系统中具有广泛的应用前景.然而,多光谱成像系统的构建常常受到色散元件或器件的选择性吸收带来的复杂性限制.为解决这一问题,本文基于新型各向异性二维半导体材料GeSe开发了一个高集成的可见光/近红外图像传感器,以实现实时多光谱成像的简化及小型化.该系统基于GeSe光电探测器和图像传感器在可见光/近红外波段下光电流强度随不同偏振角的变化趋势,能够识别入射光的波段信息,从而完成实时目标检测和波段信息识别,在模拟“自动驾驶”不同演示场景中可以取得良好的准确性和稳定性,实现了实时多光谱成像演示系统的集成化及小型化.

Surgical Indications of Exploring Optic Canal and Visual Prognostic Factors in Neurosurgical Treatment of Tuberculum Sellae Meningiomas

Background： Tuberculum sellae meningiomas （TSMs） present a special symptom because of the adherence and compression to the optic nerve, optic artery, and the chiasm. A significant number of patients with TSMs appear visual deficits. This study aimed to investigate the surgical indications of exploring the optic canal and visual prognostic factors in the neurosurgical treatment of TSMs. Methods： Totally 21 patients with TSM, who were operated from September 2007 to August 2011 in the Department of Neurosurgery, Tongren Hospital were enrolled in this study. Results of orbital computed tomography （CT） and magnetic resonance imaging （MRI）, visual acuity, Goldmann visual field test, orbital color Doppler flow imaging （CDI） test in these patients were retrospectively analyzed. Results： Visual deficit and optic canal involvement （OCI） were detected in all the 21 patients. Fourteen patients had bone proliferation within the area of the optic canal. After the operation, visual outcomes were improved in 13 patients, unchanged in 7 patients, and deteriorated in 1 patient. All the 21 patients performed orbital CDI test preoperatively, the results showed that if the peak systolic velocity （PSV） of central retinal artery （CRA） value was 〈8 cm/s, the visual outcome would be better. Conclusions： The surgical indications of exploring optic canal in TSM cases included： （1） The neuroimaging evidences of OCI （CT and/ or MR/）; （2） PSV of CRA in orbital CDI test was ≤8 cm/s; （3） visual acuity was below 0.1 ; （4） visual field deficit. The PSV of CRA in CDI test could be a prognostic factor for visual outcomes of TSMs.

Polarizer-free polarimetric image sensor through anisotropic two-dimensional Ge Se

Light polarization could provide critical visual information(e.g., surface roughness, geometry, or orientation) of the imaged objects beyond prevailing signals of intensity and wavelength. The polarization imaging technology thus has a large potential in broad fields such as object detection. However, intricate polarization coding is often required in these fields, and the existing complicated lensed system and polarizers have limited the miniaturization capabilities of the integrated imaging sensor. In this study, we demonstrate the utilization of two-dimensional(2 D) in-plane anisotropic α-Ge Se semiconductor to realize the polarizer-free polarization-sensitive visible/near-infrared(VIS-NIR) photodetector/imager. As the key part of the sensor system, this prototype Au/Ge Se/Au photodetector exhibits impressive performances in terms of high sensitivity, broad spectral response, and fast-speed operation(~10^(3) A W^(-1), 400–1050 nm,and 22.7/49.5 μs). Further, this device demonstrates unique polarization sensitivity in the spectral range of 690–1050 nm and broadband absorption of light polarized preferentially in the y-direction, as predicted by the analysis of optical transition behavior in α-Ge Se. Then we have successfully incorporated the 2 D Ge Se device into an imaging system for the polarization imaging and captured the polarization information of the radiant target with a high contrast ratio of 3.45 at808 nm(NIR band). This proposed imager reveals the ability to sense dual-band polarization signals in the scene withoutpolarizers and paves the way for polarimetric imaging sensor arrays for advanced applications.

Systematic study of spatiotemporal influences on temporal contrast in the focal region in large-aperture broadband ultrashort petawatt lasers

Temporal contrast is one of the crucial physical determinants which guarantee the successful performance of laser–matter interaction experiments. We generally reviewed the influences on the temporal contrast in three categories of noises based on the requirement by the physical mechanisms. The spatiotemporal influences on temporal contrast at the focal region of the chromatic aberration and propagation time difference introduced by large-aperture broadband spatial filters, which were spatiotemporally coupled with compression and focusing, were calculated and discussed with a practical case in SG-Ⅱ5 PW ultrashort petawatt laser. The system-wide spatiotemporal coupling existing in large-aperture broadband ultrashort petawatt lasers was proved to be one of the possible causes of temporal contrast degradation in the focal region.