The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF str...The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF structure database is available.In this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition reaction.The descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification criterion.The feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were discovered.Among them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.展开更多
Alzheimer's disease(AD)is a common cause of dementia,characterised by cerebral amyloid-βdeposition,pathological tau and neurodegeneration.The prodromal stage of AD(pAD)refers to patients with mild cognitive impai...Alzheimer's disease(AD)is a common cause of dementia,characterised by cerebral amyloid-βdeposition,pathological tau and neurodegeneration.The prodromal stage of AD(pAD)refers to patients with mild cognitive impairment(MCl)and evidence of AD's pathology.At this stage,disease-modifying interventions should be used to prevent the progression to dementia.Given the inherent heterogeneity of MCl,more specific biomarkers are needed to elucidate the underlying AD's pathology.Although the uses of cerebrospinal fluid and positron emission tomography are widely accepted methods for detecting AD's pathology,their clinical applications are limited by their high costs and invasiveness,particularly in low-income areas in China.Therefore,to improve the early detection of Alzheimer's disease(AD)pathology through cost-effective screening methods,a panel of 45neurologists,psychiatrists andgerontologistswas invited to establish a formal consensus on the screening of pAD in China.The supportive evidence and grades of recommendations are based on a systematic literature review andfocus group discussion.National meetings were held to allow participants to review,vote and provide their expert opinions to reach a consensus.A majority(two-thirds)decision was used for questions for which consensus could not be reached.Recommended screening methods are presented in this publication,including neuropsychological assessment,peripheral biomarkers and brain imaging.In addition,a general workflow for Screening pAD in China is established,which will help clinicians identify individuals at high risk and determine therapeutic targets.展开更多
Metal halide perovskites,particularly the quasi-two-dimensional perovskite subclass,have exhibited considerable potential for next-generation electroluminescent materials for lighting and display.Nevertheless,the pres...Metal halide perovskites,particularly the quasi-two-dimensional perovskite subclass,have exhibited considerable potential for next-generation electroluminescent materials for lighting and display.Nevertheless,the presence of defects within these perovskites has a substantial influence on the emission efficiency and durability of the devices.In this study,we revealed a synergistic passivation mechanism on perovskite films by using a dual-functional compound of potassium bromide.The dual functional potassium bromide on the one hand can passivate the defects of halide vacancies with bromine anions and,on the other hand,can screen the charged defects at the grain boundaries with potassium cations.This approach effectively reduces the probability of carriers quenching resulting from charged defects capture and consequently enhances the radiative recombination efficiency of perovskite thin films,leading to a significant enhancement of photoluminescence quantum yield to near-unity values(95%).Meanwhile,the potassium bromide treatment promoted the growth of homogeneous and smooth film,facilitating the charge carrier injection in the devices.Consequently,the perovskite light-emitting diodes based on this strategy achieve a maximum external quantum efficiency of~21%and maximum luminance of~60,000 cd m^(-2).This work provides a deeper insight into the passivation mechanism of ionic compound additives in perovskite with the solution method.展开更多
Photocatalysis,a critical strategy for harvesting sunlight to address energy demand and environmental concerns,is underpinned by the discovery of high-performance photocatalysts,thereby how to design photocatalysts is...Photocatalysis,a critical strategy for harvesting sunlight to address energy demand and environmental concerns,is underpinned by the discovery of high-performance photocatalysts,thereby how to design photocatalysts is now generating widespread interest in boosting the conversion effi-ciency of solar energy.In the past decade,computational technologies and theoretical simulations have led to a major leap in the development of high-throughput computational screening strategies for novel high-efficiency photocatalysts.In this viewpoint,we started with introducing the challenges of photocatalysis from the view of experimental practice,especially the inefficiency of the traditional“trial and error”method.Sub-sequently,a cross-sectional comparison between experimental and high-throughput computational screening for photocatalysis is presented and discussed in detail.On the basis of the current experimental progress in photocatalysis,we also exemplified the various challenges associated with high-throughput computational screening strategies.Finally,we offered a preferred high-throughput computational screening procedure for pho-tocatalysts from an experimental practice perspective(model construction and screening,standardized experiments,assessment and revision),with the aim of a better correlation of high-throughput simulations and experimental practices,motivating to search for better descriptors.展开更多
Alpha-lactalbumin(α-LA)is a major whey protein found in breast milk and plays a crucial role in the growth and development of infants.In this study,Bacillus subtilis RIK1285 harboring AprE signal peptide(SP)was selec...Alpha-lactalbumin(α-LA)is a major whey protein found in breast milk and plays a crucial role in the growth and development of infants.In this study,Bacillus subtilis RIK1285 harboring AprE signal peptide(SP)was selected as the original strain for the production ofα-LA.It was found thatα-LA was identified in the pellet after ultrasonic disruption and centrifugation instead of in the fermentation supernatant.The original strain most likely only producedα-LA intracellular,but not extracellular.To improve the expression and secretion ofα-LA in RIK1285,a library of 173 homologous SPs from the B.subtilis 168 genome was fused with target LALBA gene in the pBE-S vector and expressed extracellularly in RIK1285.SP YjcN was determined to be the best signal peptide.Bands in supernatant were observed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and purified by nickel column to calculate the highest yield signal peptide.In addition,different promoters(P_(aprE),P_(43),and P_(glv))were compared and applied.The results indicated that the strain RIK1285-pBE-P_(glv)-YjcN-LALBA had the highestα-LA yield,reaching 122.04μg/mL.This study demonstrates successful expression and secretion of humanα-LA in B.subtilis and establishes a foundation for simulating breast milk for infant formulas and developing bioengineered milk.展开更多
The traditional nutritional and medical hemp(Cannabis sativa L.)seed protein were explored for the discovery and directional preparation of new xanthine oxidase inhibitory(XOI)peptides by structure-based virtual scree...The traditional nutritional and medical hemp(Cannabis sativa L.)seed protein were explored for the discovery and directional preparation of new xanthine oxidase inhibitory(XOI)peptides by structure-based virtual screening,compound synthesis,in vitro bioassay and proteolysis.Six subtypes of hemp seed edestin and albumin were in silico hydrolyzed by 29 proteases,and 192 encrypted bioactive peptides were screened out.Six peptides showed to be XOI peptides,of which four(about 67%)were released by elastase hydrolysis.The peptide DDNPRRFY displayed the highest XOI activity(IC50=(2.10±0.06)mg/mL),acting as a mixed inhibitor.The pancreatic elastase directionally prepared XOI hemp seed protein hydrolysates,from which 6 high-abundance XOI peptides encrypted 3 virtually-screened ones including the DDNPRRFY.The novel outstanding hemp seed protein-derived XOI peptides and their virtual screening and directed preparation methods provide a promising and applicable approach to conveniently and efficiently explore food-derived bioactive peptides.展开更多
Dual-atom catalysts(DACs)have emerged as potential catalysts for effective electroreduction of CO_(2)due to their high atom utilization efficiency and multiple active sites.However,the screening of DACs remains a chal...Dual-atom catalysts(DACs)have emerged as potential catalysts for effective electroreduction of CO_(2)due to their high atom utilization efficiency and multiple active sites.However,the screening of DACs remains a challenge due to the large number of possible combinations,making exhaustive experimental or computational screening a daunting task.In this study,a density functional theory(DFT)-based machine learning(ML)-accelerated(DFT-ML)hybrid approach was developed to test a set of 406 dual transition metal catalysts on N-doped graphene(NG)for the electroreduction of CO_(2)to HCOOH.The results showed that the ML algorithms can successfully capture the relationship between the descriptors of the DACs(inputs)and the limiting potential for HCOOH generation(output).Of the four ML algorithms studied in this work,the feedforward neural network model achieved the highest prediction accuracy(the highest correlation coefficient(R^(2))of 0.960 and the lowest root mean square error(RMSE)of 0.319 eV on the test set)and the predicted results were verified by DFT calculations with an average absolute error of 0.14 eV.The DFT-ML approach identified Co-Co-NG and Ir-Fe-NG as the most active and stable electrocatalysts for the electrochemical reduction of CO_(2)to HCOOH.The DFT-ML hybrid approach exhibits exceptional prediction accuracy while enabling a significant reduction in screening time by an impressive 64%compared to conventional DFT-only calculations.These results demonstrate the immense potential of using ML methods to accelerate the screening and rational design of efficient catalysts for various energy and environmental applications.展开更多
In this paper,we introduce the censored composite conditional quantile coefficient(cC-CQC)to rank the relative importance of each predictor in high-dimensional censored regression.The cCCQC takes advantage of all usef...In this paper,we introduce the censored composite conditional quantile coefficient(cC-CQC)to rank the relative importance of each predictor in high-dimensional censored regression.The cCCQC takes advantage of all useful information across quantiles and can detect nonlinear effects including interactions and heterogeneity,effectively.Furthermore,the proposed screening method based on cCCQC is robust to the existence of outliers and enjoys the sure screening property.Simulation results demonstrate that the proposed method performs competitively on survival datasets of high-dimensional predictors,particularly when the variables are highly correlated.展开更多
The ideal motion characteristics for the vibrating screen was presented according to the principle of screening process with constant bed thickness.A new vibrating screen with variable elliptical trace was proposed.An...The ideal motion characteristics for the vibrating screen was presented according to the principle of screening process with constant bed thickness.A new vibrating screen with variable elliptical trace was proposed.An accurate mechanical model was constructed according to the required structural motion features.Applying multi-degree-of-freedom vibration theory,characteristics of the vibrating screen was analyzed.Kinematics parameters of the vibrating screen which motion traces were linear,circular or elliptical were obtained.The stable solutions of the dynamic equations gave the motions of the vibrating screen by means of computer simulations.Technological parameters,including amplitude,movement velocity and throwing index,of five specific points along the screen surface were gained by theoretical calculation.The results show that the traces of the new designed vibrating screen follow the ideal screening motion.The screening efficiency and processing capacity may thus be effectively improved.展开更多
Electromagnetic screening is studied from the perspective of fluid mechanics by generalizing the Drude theory, which unifies three known results： Thomas–Fermi screening of the longitudinal field in both metals and s...Electromagnetic screening is studied from the perspective of fluid mechanics by generalizing the Drude theory, which unifies three known results： Thomas–Fermi screening of the longitudinal field in both metals and superconductors, the skin effect of the transverse field in metals, and the Meissner effect in superconductors. In the special case of superfluid electrons, we slightly generalize the London equations to incorporate the longitudinal electric fields. Moreover, regarding the experiments, our study points out that the dynamical measurement may overestimate the superfluid density.展开更多
In this article, we introduce the system of high throughput screening (HTS). Its role in new drug study and current development is described. The relationship between research achievements of genome study and new type...In this article, we introduce the system of high throughput screening (HTS). Its role in new drug study and current development is described. The relationship between research achievements of genome study and new type screening model of new drugs is emphasized. The personal opinions of current problems about HTS study in China are raised.展开更多
The efficiency of particle screening was studied over a range of vibrational parameters including amplitude, frequency and vibrational direction. The Discrete Element Method (DEM) was used to simulate the screening pr...The efficiency of particle screening was studied over a range of vibrational parameters including amplitude, frequency and vibrational direction. The Discrete Element Method (DEM) was used to simulate the screening process. A functional relationship between efficiency and the parameters, both singly and combined, is established. The function is a complicated exponential. Optimal amplitude and frequency values are smaller for particles near the mesh and larger for other particles. The optimum vibration angle is 45° for nearly all kinds of particles. A transverse velocity, V⊥, was defined and V⊥=0.2 m/s was identified to be the most efficient operating point by both simulation and experimental observation. Comparison of these results with those reported by others is included.展开更多
The discrete element method(DEM) has been widely used to simulate microscopic interactions between particles.Screening is a deeply complicated process when considering the law of motion for the particles,themselves.In...The discrete element method(DEM) has been widely used to simulate microscopic interactions between particles.Screening is a deeply complicated process when considering the law of motion for the particles,themselves.In this paper,a numerical model for the study of a particle screening process using the DEM is presented.Special attention was paid to the modeling of a vibrating screen that allows particles to pass through,or to rebound,when approaching the screen surface.Inferences concerning screen length and vibrating frequency as they relate to screening efficiency were studied.The conclusions were:three-dimensional simulation of screening efficiency along the screen length follows an exponential distribution;when the sieve vibrates over a certain frequency range the screening efficiency is stable;and,higher vibration frequencies can improve the handling capacity of the screening machine.展开更多
A thorough literature review is conducted that pertains to low-salinity-based enhanced oil recovery(EOR).This is meant to be a comprehensive review of all the refereed published papers,conference papers,master’s thes...A thorough literature review is conducted that pertains to low-salinity-based enhanced oil recovery(EOR).This is meant to be a comprehensive review of all the refereed published papers,conference papers,master’s theses and other reports in this area.The review is specifically focused on establishing various relations/characteristics or"screening criteria"such as:(1)classification/grouping of clays that have shown or are amenable to low-salinity benefits;(2)clay types vs.range of residual oil saturations;(3)API gravity and down hole oil viscosity range that is amenable for low salinity;(4)salinity range for EOR benefits;(5)pore sizes,porosity,absolute permeability and wettability range for low-salinity EOR;(6)continuous low-salinity injection vs.slug-wise injection;(7)grouping of possible low-salinity mechanisms;(8)contradictions or similarities between laboratory experiments and field evidence;and(9)compositional variations in tested low-salinity waters.A proposed screening criterion for low-salinity waterflooding is introduced.It can be concluded that either one or more of these mechanisms,or a combination thereof,may be the case-specific mechanism,i.e.,depending on the particular oil–brine–rock(OBR)system rather than something that is"universal"or universally applicable.Therefore,every OBR system that is unique or specific ought to be individually investigated to determine the benefits(if any)of low-salinity water injection;however,the proposed screening criteria may help in narrowing down some of the dominant responsible mechanisms.Although this review primarily focuses on sandstones,given the prominence of carbonates containing^60%of the world’s oil reserves,a summary of possible mechanisms and screening criteria,pertaining to low-salinity waterflooding,for carbonates is also included.Finally,the enhancement of polymer flooding by using low-salinity water as a makeup water to further decrease the residual oil saturation is also discussed.展开更多
The catalyst screening tests for carbon dioxide oxidative coupling of methane (CO2-OCM) have been investigated over ternary and binary metal oxide catalysts. The catalysts are prepared by doping MgO- and CeO2-based so...The catalyst screening tests for carbon dioxide oxidative coupling of methane (CO2-OCM) have been investigated over ternary and binary metal oxide catalysts. The catalysts are prepared by doping MgO- and CeO2-based solids with oxides from alkali (Li2O), alkaline earth (CaO), and transition metal groups (WO3 or MnO). The presence of the peroxide (O2-2) active sites on the Li2O2, revealed by Raman spectroscopy, may be the key factor in the enhanced performance of some of the Li2O/MgO catalysts. The high reducibility of the CeO2 catalyst, an important factor in the CO2-OCM catalyst activity, may be enhanced by the presence of manganese oxide species. The manganese oxide species increases oxygen mobility and oxygen vacancies in the CeO2 catalyst. Raman and Fourier Transform Infra Red (FT-IR) spectroscopies revealed the presence of lattice vibrations of metal-oxygen bondings and active sites in which the peaks corresponding to the bulk crystalline structures of Li2O, CaO, WO3 and MnO are detected. The performance of 5%MnO/15%CaO/CeO2 catalyst is the most potential among the CeO2-based catalysts, although lower than the 2%Li2O/MgO catalyst. The 2%Li2O/MgO catalyst showed the most promising C2+ hydrocarbons selectivity and yield at 98.0% and 5.7%, respectively.展开更多
With ion implantation (N+, energy 10 keV and dosage 1.56×1015 N+cm-2), a high xylanase-producing strain Aspergillus niger N212 was selected. Based on an orthogonal experiment, an optimal fermentation condition wa...With ion implantation (N+, energy 10 keV and dosage 1.56×1015 N+cm-2), a high xylanase-producing strain Aspergillus niger N212 was selected. Based on an orthogonal experiment, an optimal fermentation condition was designed for this high-yield strain. The suitable medium was composed of 8% corncob; 1.0% wheat bran; 0.1%TWEEN20; 0.5% (NH4)2SO4; 0.5%NaNO3; 0.5%FeSO4, 7.5 × 10-4; MnSO4·H2O, 2.5 × 10-4; ZnSO4, 2.0 × 10-4; CoCl2, 3.0 × 10-4. At present, under our experiment condition, xylanase activity of Aspergillus niger N212 reached a level of 600 IU/ml, almost increased by 100% in xylanase production and the time of yielding xylanase was largely reduced to 12 h at 28℃.展开更多
Objective To estimate the prevalence of unknown atrial fibrillation(AF)in the elderly population of the Veneto Region,Italy.Methods 1820 patients aged≥65 years with no history of AF and not anticoagulated were enroll...Objective To estimate the prevalence of unknown atrial fibrillation(AF)in the elderly population of the Veneto Region,Italy.Methods 1820 patients aged≥65 years with no history of AF and not anticoagulated were enrolled in primary-care settings.They underwent an opportunistic electrocardiogram screening with a handheld device(My Diagnostick)designed to specifically detect AF.The electrocardiogram recordings were reviewed by the researchers,who confirmed the presence of AF.Results The device detected an arrhythmia in 143 patients,which was confirmed as AF in 101/143(70.6%),with an overall prevalence of AF of 5.5%(101/1820).Prevalence of unknown AF resulted in 3.6%in patients aged 65–74 years,and 7.5%in patients age 75 or older,and increased according to CHA2 DS2-VASc score:3.5%in patients with a score of 1 or 2,5.6%in patients with a score of 3,7.0%in patients with a score of 4,and 7.2%in patients with a score≥5.The detection rate was significantly higher in patients with mild symptoms compared to asymptomatic counterparts(24.1%vs.4.0%,P<0.0001).At multivariate analysis,congestive heart failure and age≥75 years-old were independent predictors for screen-detected AF.Conclusions An opportunistic screening with handheld device revealed an unexpectedly high prevalence of unknown AF in elderly patients with mild symptoms.Prevalence increased with age and CHA2DS2-VASc score.展开更多
Screening is an important process in mineral industry. In this paper, a study has been made to simulate the screening process based on a high-performance MATLAB/Simulink software, with an example of simulating the sie...Screening is an important process in mineral industry. In this paper, a study has been made to simulate the screening process based on a high-performance MATLAB/Simulink software, with an example of simulating the sieving process of a vibrating screen. A simulation model of the sieving process with a vibrating screen （SMSPVS） was proposed, using correlative mathematical models and Simulink blocks. The results show that the simulation data was very close to the actual data, The minimum errors of size distribution of oversize and undersize are 0.65% and 0.20%, resoectivelv. The sieving orocess can be accurately simulated by the SMSPVS.展开更多
The authors have created a virtual test of vibration particle-screening using Autodesk's 3ds Max software,the MAXScript scripting language and the AGEIA PhysX physics processing unit(PPU).The affect of various par...The authors have created a virtual test of vibration particle-screening using Autodesk's 3ds Max software,the MAXScript scripting language and the AGEIA PhysX physics processing unit(PPU).The affect of various parameters on screening efficiency were modeled.The parameters included vibration amplitude,frequency and direction.The length and inclination of the vibrating surface were also varied.The virtual experiment is in basic agreement with results predicted from screening theory.This shows that the virtual screener can be used for preliminary investigations and the results used to evaluate screen design.In addition it can help with theoretical research.展开更多
Background:The German Military Medical Service contributed to the medical screening of unaccompanied minor refugees(UMRs)coming to Germany in 2014 and 2015.In this study,a broad range of diagnostic procedures was appl...Background:The German Military Medical Service contributed to the medical screening of unaccompanied minor refugees(UMRs)coming to Germany in 2014 and 2015.In this study,a broad range of diagnostic procedures was applied to identify microorganisms with clinical or public health significance.Previously,those tests had only been used to screen soldiers returning from tropical deployments.This instance is the first time the approach has been studied in a humanitarian context.Methods:The offered screenings included blood cell counts,hepatitis B serology and microscopy of the stool to look for protozoa and worm eggs as well as PCR from stool samples targeting pathogenic bacteria,protozoa and helminths.If individuals refused certain assessments,their decision to do so was accepted.A total of 219 apparently healthy male UMRs coming from Afghanistan,Egypt,Somalia,Eritrea,Syria,Ghana,Guinea,Iran,Algeria,Iraq,Benin,Gambia,Libya,Morocco,Pakistan,and Palestine were assessed.All UMRs who were examined at the study department were included in the assessment.Results:We detected decreasing frequencies of pathogens that included diarrhoea-associated bacteria[Campylobacter(C.)jejuni,enteropathogenic Escherichia(E.)coli(EPEC),enterotoxic E.coli(ETEC),enteroaggregative E.coli(EAEC),enteroinvasive E.coli(EIEC)/Shigella spp.),Giardia(G.)duodenalis,helminths(comprising Schistosoma spp.,Hymenolepis(H.)nana,Strongyloides(S.)stercoralis]as well as hepatitis B virus.Pathogenic microorganisms dominated the samples by far.While G.duodenalis was detected in 11.4%of the assessed UMRs,the incidence of newly identified cases in the German population was 4.5 cases per 100,000 inhabitants.Conclusion:We conclude that the applied in-house PCR screening systems,which have proven to be useful for screening military returnees from tropical deployments,can also be used for health assessment of immigrants from the respective sites.Apparently healthy UMRs may be enterically colonized with a broad variety of pathogenic and apathogenic microorganisms.Increased colonization rates,as shown for G.duodenalis,can pose a hygiene problem in centralized homes for asylum seekers.展开更多
基金financial support from the National Key Research and Development Program of China(2021YFB 3501501)the National Natural Science Foundation of China(No.22225803,22038001,22108007 and 22278011)+1 种基金Beijing Natural Science Foundation(No.Z230023)Beijing Science and Technology Commission(No.Z211100004321001).
文摘The high porosity and tunable chemical functionality of metal-organic frameworks(MOFs)make it a promising catalyst design platform.High-throughput screening of catalytic performance is feasible since the large MOF structure database is available.In this study,we report a machine learning model for high-throughput screening of MOF catalysts for the CO_(2) cycloaddition reaction.The descriptors for model training were judiciously chosen according to the reaction mechanism,which leads to high accuracy up to 97%for the 75%quantile of the training set as the classification criterion.The feature contribution was further evaluated with SHAP and PDP analysis to provide a certain physical understanding.12,415 hypothetical MOF structures and 100 reported MOFs were evaluated under 100℃ and 1 bar within one day using the model,and 239 potentially efficient catalysts were discovered.Among them,MOF-76(Y)achieved the top performance experimentally among reported MOFs,in good agreement with the prediction.
基金the National Natural Science Foundation of China(82171198,U20A20354)the Sci-Tech Innovation 2030 Agenda of China(2022ZD0211603).
文摘Alzheimer's disease(AD)is a common cause of dementia,characterised by cerebral amyloid-βdeposition,pathological tau and neurodegeneration.The prodromal stage of AD(pAD)refers to patients with mild cognitive impairment(MCl)and evidence of AD's pathology.At this stage,disease-modifying interventions should be used to prevent the progression to dementia.Given the inherent heterogeneity of MCl,more specific biomarkers are needed to elucidate the underlying AD's pathology.Although the uses of cerebrospinal fluid and positron emission tomography are widely accepted methods for detecting AD's pathology,their clinical applications are limited by their high costs and invasiveness,particularly in low-income areas in China.Therefore,to improve the early detection of Alzheimer's disease(AD)pathology through cost-effective screening methods,a panel of 45neurologists,psychiatrists andgerontologistswas invited to establish a formal consensus on the screening of pAD in China.The supportive evidence and grades of recommendations are based on a systematic literature review andfocus group discussion.National meetings were held to allow participants to review,vote and provide their expert opinions to reach a consensus.A majority(two-thirds)decision was used for questions for which consensus could not be reached.Recommended screening methods are presented in this publication,including neuropsychological assessment,peripheral biomarkers and brain imaging.In addition,a general workflow for Screening pAD in China is established,which will help clinicians identify individuals at high risk and determine therapeutic targets.
基金supported by the Science and Technology Development Fund,Macao SAR(File no.FDCT-0082/2021/A2,0010/2022/AMJ,006/2022/ALC)UM's research fund(File no.MYRG2022-00241-IAPME,MYRGCRG2022-00009-FHS)+2 种基金the research fund from Wuyi University(EF38/IAPME-XGC/2022/WYU)the Natural Science Foundation of China(61935017,62175268)Science,Technology and Innovation Commission of Shenzhen Municipality(Project Nos.JCYJ20220530113015035,JCYJ20210324120204011,and KQTD2015071710313656).
文摘Metal halide perovskites,particularly the quasi-two-dimensional perovskite subclass,have exhibited considerable potential for next-generation electroluminescent materials for lighting and display.Nevertheless,the presence of defects within these perovskites has a substantial influence on the emission efficiency and durability of the devices.In this study,we revealed a synergistic passivation mechanism on perovskite films by using a dual-functional compound of potassium bromide.The dual functional potassium bromide on the one hand can passivate the defects of halide vacancies with bromine anions and,on the other hand,can screen the charged defects at the grain boundaries with potassium cations.This approach effectively reduces the probability of carriers quenching resulting from charged defects capture and consequently enhances the radiative recombination efficiency of perovskite thin films,leading to a significant enhancement of photoluminescence quantum yield to near-unity values(95%).Meanwhile,the potassium bromide treatment promoted the growth of homogeneous and smooth film,facilitating the charge carrier injection in the devices.Consequently,the perovskite light-emitting diodes based on this strategy achieve a maximum external quantum efficiency of~21%and maximum luminance of~60,000 cd m^(-2).This work provides a deeper insight into the passivation mechanism of ionic compound additives in perovskite with the solution method.
基金The authors are grateful for financial support from the National Key Projects for Fundamental Research and Development of China(2021YFA1500803)the National Natural Science Foundation of China(51825205,52120105002,22102202,22088102,U22A20391)+1 种基金the DNL Cooperation Fund,CAS(DNL202016)the CAS Project for Young Scientists in Basic Research(YSBR-004).
文摘Photocatalysis,a critical strategy for harvesting sunlight to address energy demand and environmental concerns,is underpinned by the discovery of high-performance photocatalysts,thereby how to design photocatalysts is now generating widespread interest in boosting the conversion effi-ciency of solar energy.In the past decade,computational technologies and theoretical simulations have led to a major leap in the development of high-throughput computational screening strategies for novel high-efficiency photocatalysts.In this viewpoint,we started with introducing the challenges of photocatalysis from the view of experimental practice,especially the inefficiency of the traditional“trial and error”method.Sub-sequently,a cross-sectional comparison between experimental and high-throughput computational screening for photocatalysis is presented and discussed in detail.On the basis of the current experimental progress in photocatalysis,we also exemplified the various challenges associated with high-throughput computational screening strategies.Finally,we offered a preferred high-throughput computational screening procedure for pho-tocatalysts from an experimental practice perspective(model construction and screening,standardized experiments,assessment and revision),with the aim of a better correlation of high-throughput simulations and experimental practices,motivating to search for better descriptors.
基金This work was funded by National Natural Science Foundation of China(32272279)the Key R&D project of Qingdao Science and Technology Plan(22-3-3-hygg-29-hy).
文摘Alpha-lactalbumin(α-LA)is a major whey protein found in breast milk and plays a crucial role in the growth and development of infants.In this study,Bacillus subtilis RIK1285 harboring AprE signal peptide(SP)was selected as the original strain for the production ofα-LA.It was found thatα-LA was identified in the pellet after ultrasonic disruption and centrifugation instead of in the fermentation supernatant.The original strain most likely only producedα-LA intracellular,but not extracellular.To improve the expression and secretion ofα-LA in RIK1285,a library of 173 homologous SPs from the B.subtilis 168 genome was fused with target LALBA gene in the pBE-S vector and expressed extracellularly in RIK1285.SP YjcN was determined to be the best signal peptide.Bands in supernatant were observed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis and purified by nickel column to calculate the highest yield signal peptide.In addition,different promoters(P_(aprE),P_(43),and P_(glv))were compared and applied.The results indicated that the strain RIK1285-pBE-P_(glv)-YjcN-LALBA had the highestα-LA yield,reaching 122.04μg/mL.This study demonstrates successful expression and secretion of humanα-LA in B.subtilis and establishes a foundation for simulating breast milk for infant formulas and developing bioengineered milk.
基金funded by National Natural Science Foundation of China(21868003)Bama County Program for Talents in Science and Technology(BaRenKe20210045).
文摘The traditional nutritional and medical hemp(Cannabis sativa L.)seed protein were explored for the discovery and directional preparation of new xanthine oxidase inhibitory(XOI)peptides by structure-based virtual screening,compound synthesis,in vitro bioassay and proteolysis.Six subtypes of hemp seed edestin and albumin were in silico hydrolyzed by 29 proteases,and 192 encrypted bioactive peptides were screened out.Six peptides showed to be XOI peptides,of which four(about 67%)were released by elastase hydrolysis.The peptide DDNPRRFY displayed the highest XOI activity(IC50=(2.10±0.06)mg/mL),acting as a mixed inhibitor.The pancreatic elastase directionally prepared XOI hemp seed protein hydrolysates,from which 6 high-abundance XOI peptides encrypted 3 virtually-screened ones including the DDNPRRFY.The novel outstanding hemp seed protein-derived XOI peptides and their virtual screening and directed preparation methods provide a promising and applicable approach to conveniently and efficiently explore food-derived bioactive peptides.
基金partially sponsored by the Development and Reform Commission of Ningbo Municipality(Ningbo Municipal Engineering Research Centre for Solid Carbonaceous Wastes Processing and Utilization Technologies)the National Natural Science Foundation Youth Science Fund Project(52203300),the National Natural Science Foundation of China(22308195)+4 种基金the Natural Science Foundation of Shandong Province(ZR2023QB237)Ningbo Science and Technologies Innovation 2025 Major Special Project(2018B10027)The Zhejiang Provincial Department of Science and Technology is acknowledged for sponsorship under its Provincial Key Laboratory Program(2020E10018)Ningbo Bureau of Science and Technology is also thanked for its support to the Key Laboratory of Clean Energy Conversion TechnologiesThe University of Nottingham Ningbo China provides the first author with a full scholarship。
文摘Dual-atom catalysts(DACs)have emerged as potential catalysts for effective electroreduction of CO_(2)due to their high atom utilization efficiency and multiple active sites.However,the screening of DACs remains a challenge due to the large number of possible combinations,making exhaustive experimental or computational screening a daunting task.In this study,a density functional theory(DFT)-based machine learning(ML)-accelerated(DFT-ML)hybrid approach was developed to test a set of 406 dual transition metal catalysts on N-doped graphene(NG)for the electroreduction of CO_(2)to HCOOH.The results showed that the ML algorithms can successfully capture the relationship between the descriptors of the DACs(inputs)and the limiting potential for HCOOH generation(output).Of the four ML algorithms studied in this work,the feedforward neural network model achieved the highest prediction accuracy(the highest correlation coefficient(R^(2))of 0.960 and the lowest root mean square error(RMSE)of 0.319 eV on the test set)and the predicted results were verified by DFT calculations with an average absolute error of 0.14 eV.The DFT-ML approach identified Co-Co-NG and Ir-Fe-NG as the most active and stable electrocatalysts for the electrochemical reduction of CO_(2)to HCOOH.The DFT-ML hybrid approach exhibits exceptional prediction accuracy while enabling a significant reduction in screening time by an impressive 64%compared to conventional DFT-only calculations.These results demonstrate the immense potential of using ML methods to accelerate the screening and rational design of efficient catalysts for various energy and environmental applications.
基金Outstanding Youth Foundation of Hunan Provincial Department of Education(Grant No.22B0911)。
文摘In this paper,we introduce the censored composite conditional quantile coefficient(cC-CQC)to rank the relative importance of each predictor in high-dimensional censored regression.The cCCQC takes advantage of all useful information across quantiles and can detect nonlinear effects including interactions and heterogeneity,effectively.Furthermore,the proposed screening method based on cCCQC is robust to the existence of outliers and enjoys the sure screening property.Simulation results demonstrate that the proposed method performs competitively on survival datasets of high-dimensional predictors,particularly when the variables are highly correlated.
基金Projects 50574091 and 50774084 supported by the National Natural Science Foundation of China
文摘The ideal motion characteristics for the vibrating screen was presented according to the principle of screening process with constant bed thickness.A new vibrating screen with variable elliptical trace was proposed.An accurate mechanical model was constructed according to the required structural motion features.Applying multi-degree-of-freedom vibration theory,characteristics of the vibrating screen was analyzed.Kinematics parameters of the vibrating screen which motion traces were linear,circular or elliptical were obtained.The stable solutions of the dynamic equations gave the motions of the vibrating screen by means of computer simulations.Technological parameters,including amplitude,movement velocity and throwing index,of five specific points along the screen surface were gained by theoretical calculation.The results show that the traces of the new designed vibrating screen follow the ideal screening motion.The screening efficiency and processing capacity may thus be effectively improved.
基金Project supported by the National Natural Science Foundation of China(Grant No.11504164)
文摘Electromagnetic screening is studied from the perspective of fluid mechanics by generalizing the Drude theory, which unifies three known results： Thomas–Fermi screening of the longitudinal field in both metals and superconductors, the skin effect of the transverse field in metals, and the Meissner effect in superconductors. In the special case of superfluid electrons, we slightly generalize the London equations to incorporate the longitudinal electric fields. Moreover, regarding the experiments, our study points out that the dynamical measurement may overestimate the superfluid density.
文摘In this article, we introduce the system of high throughput screening (HTS). Its role in new drug study and current development is described. The relationship between research achievements of genome study and new type screening model of new drugs is emphasized. The personal opinions of current problems about HTS study in China are raised.
基金the Special Topic of Key Science and Technology of Fujian Province Fund (No.2006HZ0002-2)
文摘The efficiency of particle screening was studied over a range of vibrational parameters including amplitude, frequency and vibrational direction. The Discrete Element Method (DEM) was used to simulate the screening process. A functional relationship between efficiency and the parameters, both singly and combined, is established. The function is a complicated exponential. Optimal amplitude and frequency values are smaller for particles near the mesh and larger for other particles. The optimum vibration angle is 45° for nearly all kinds of particles. A transverse velocity, V⊥, was defined and V⊥=0.2 m/s was identified to be the most efficient operating point by both simulation and experimental observation. Comparison of these results with those reported by others is included.
基金Project 2006HZ0002-2 supported by the Special Topic Fund of Key Science and Technology of Fujian Province
文摘The discrete element method(DEM) has been widely used to simulate microscopic interactions between particles.Screening is a deeply complicated process when considering the law of motion for the particles,themselves.In this paper,a numerical model for the study of a particle screening process using the DEM is presented.Special attention was paid to the modeling of a vibrating screen that allows particles to pass through,or to rebound,when approaching the screen surface.Inferences concerning screen length and vibrating frequency as they relate to screening efficiency were studied.The conclusions were:three-dimensional simulation of screening efficiency along the screen length follows an exponential distribution;when the sieve vibrates over a certain frequency range the screening efficiency is stable;and,higher vibration frequencies can improve the handling capacity of the screening machine.
文摘A thorough literature review is conducted that pertains to low-salinity-based enhanced oil recovery(EOR).This is meant to be a comprehensive review of all the refereed published papers,conference papers,master’s theses and other reports in this area.The review is specifically focused on establishing various relations/characteristics or"screening criteria"such as:(1)classification/grouping of clays that have shown or are amenable to low-salinity benefits;(2)clay types vs.range of residual oil saturations;(3)API gravity and down hole oil viscosity range that is amenable for low salinity;(4)salinity range for EOR benefits;(5)pore sizes,porosity,absolute permeability and wettability range for low-salinity EOR;(6)continuous low-salinity injection vs.slug-wise injection;(7)grouping of possible low-salinity mechanisms;(8)contradictions or similarities between laboratory experiments and field evidence;and(9)compositional variations in tested low-salinity waters.A proposed screening criterion for low-salinity waterflooding is introduced.It can be concluded that either one or more of these mechanisms,or a combination thereof,may be the case-specific mechanism,i.e.,depending on the particular oil–brine–rock(OBR)system rather than something that is"universal"or universally applicable.Therefore,every OBR system that is unique or specific ought to be individually investigated to determine the benefits(if any)of low-salinity water injection;however,the proposed screening criteria may help in narrowing down some of the dominant responsible mechanisms.Although this review primarily focuses on sandstones,given the prominence of carbonates containing^60%of the world’s oil reserves,a summary of possible mechanisms and screening criteria,pertaining to low-salinity waterflooding,for carbonates is also included.Finally,the enhancement of polymer flooding by using low-salinity water as a makeup water to further decrease the residual oil saturation is also discussed.
文摘The catalyst screening tests for carbon dioxide oxidative coupling of methane (CO2-OCM) have been investigated over ternary and binary metal oxide catalysts. The catalysts are prepared by doping MgO- and CeO2-based solids with oxides from alkali (Li2O), alkaline earth (CaO), and transition metal groups (WO3 or MnO). The presence of the peroxide (O2-2) active sites on the Li2O2, revealed by Raman spectroscopy, may be the key factor in the enhanced performance of some of the Li2O/MgO catalysts. The high reducibility of the CeO2 catalyst, an important factor in the CO2-OCM catalyst activity, may be enhanced by the presence of manganese oxide species. The manganese oxide species increases oxygen mobility and oxygen vacancies in the CeO2 catalyst. Raman and Fourier Transform Infra Red (FT-IR) spectroscopies revealed the presence of lattice vibrations of metal-oxygen bondings and active sites in which the peaks corresponding to the bulk crystalline structures of Li2O, CaO, WO3 and MnO are detected. The performance of 5%MnO/15%CaO/CeO2 catalyst is the most potential among the CeO2-based catalysts, although lower than the 2%Li2O/MgO catalyst. The 2%Li2O/MgO catalyst showed the most promising C2+ hydrocarbons selectivity and yield at 98.0% and 5.7%, respectively.
文摘With ion implantation (N+, energy 10 keV and dosage 1.56×1015 N+cm-2), a high xylanase-producing strain Aspergillus niger N212 was selected. Based on an orthogonal experiment, an optimal fermentation condition was designed for this high-yield strain. The suitable medium was composed of 8% corncob; 1.0% wheat bran; 0.1%TWEEN20; 0.5% (NH4)2SO4; 0.5%NaNO3; 0.5%FeSO4, 7.5 × 10-4; MnSO4·H2O, 2.5 × 10-4; ZnSO4, 2.0 × 10-4; CoCl2, 3.0 × 10-4. At present, under our experiment condition, xylanase activity of Aspergillus niger N212 reached a level of 600 IU/ml, almost increased by 100% in xylanase production and the time of yielding xylanase was largely reduced to 12 h at 28℃.
文摘Objective To estimate the prevalence of unknown atrial fibrillation(AF)in the elderly population of the Veneto Region,Italy.Methods 1820 patients aged≥65 years with no history of AF and not anticoagulated were enrolled in primary-care settings.They underwent an opportunistic electrocardiogram screening with a handheld device(My Diagnostick)designed to specifically detect AF.The electrocardiogram recordings were reviewed by the researchers,who confirmed the presence of AF.Results The device detected an arrhythmia in 143 patients,which was confirmed as AF in 101/143(70.6%),with an overall prevalence of AF of 5.5%(101/1820).Prevalence of unknown AF resulted in 3.6%in patients aged 65–74 years,and 7.5%in patients age 75 or older,and increased according to CHA2 DS2-VASc score:3.5%in patients with a score of 1 or 2,5.6%in patients with a score of 3,7.0%in patients with a score of 4,and 7.2%in patients with a score≥5.The detection rate was significantly higher in patients with mild symptoms compared to asymptomatic counterparts(24.1%vs.4.0%,P<0.0001).At multivariate analysis,congestive heart failure and age≥75 years-old were independent predictors for screen-detected AF.Conclusions An opportunistic screening with handheld device revealed an unexpectedly high prevalence of unknown AF in elderly patients with mild symptoms.Prevalence increased with age and CHA2DS2-VASc score.
文摘Screening is an important process in mineral industry. In this paper, a study has been made to simulate the screening process based on a high-performance MATLAB/Simulink software, with an example of simulating the sieving process of a vibrating screen. A simulation model of the sieving process with a vibrating screen （SMSPVS） was proposed, using correlative mathematical models and Simulink blocks. The results show that the simulation data was very close to the actual data, The minimum errors of size distribution of oversize and undersize are 0.65% and 0.20%, resoectivelv. The sieving orocess can be accurately simulated by the SMSPVS.
基金Projects 50574091 and 50774084 supported by the National Natural Science Foundation of China
文摘The authors have created a virtual test of vibration particle-screening using Autodesk's 3ds Max software,the MAXScript scripting language and the AGEIA PhysX physics processing unit(PPU).The affect of various parameters on screening efficiency were modeled.The parameters included vibration amplitude,frequency and direction.The length and inclination of the vibrating surface were also varied.The virtual experiment is in basic agreement with results predicted from screening theory.This shows that the virtual screener can be used for preliminary investigations and the results used to evaluate screen design.In addition it can help with theoretical research.
文摘Background:The German Military Medical Service contributed to the medical screening of unaccompanied minor refugees(UMRs)coming to Germany in 2014 and 2015.In this study,a broad range of diagnostic procedures was applied to identify microorganisms with clinical or public health significance.Previously,those tests had only been used to screen soldiers returning from tropical deployments.This instance is the first time the approach has been studied in a humanitarian context.Methods:The offered screenings included blood cell counts,hepatitis B serology and microscopy of the stool to look for protozoa and worm eggs as well as PCR from stool samples targeting pathogenic bacteria,protozoa and helminths.If individuals refused certain assessments,their decision to do so was accepted.A total of 219 apparently healthy male UMRs coming from Afghanistan,Egypt,Somalia,Eritrea,Syria,Ghana,Guinea,Iran,Algeria,Iraq,Benin,Gambia,Libya,Morocco,Pakistan,and Palestine were assessed.All UMRs who were examined at the study department were included in the assessment.Results:We detected decreasing frequencies of pathogens that included diarrhoea-associated bacteria[Campylobacter(C.)jejuni,enteropathogenic Escherichia(E.)coli(EPEC),enterotoxic E.coli(ETEC),enteroaggregative E.coli(EAEC),enteroinvasive E.coli(EIEC)/Shigella spp.),Giardia(G.)duodenalis,helminths(comprising Schistosoma spp.,Hymenolepis(H.)nana,Strongyloides(S.)stercoralis]as well as hepatitis B virus.Pathogenic microorganisms dominated the samples by far.While G.duodenalis was detected in 11.4%of the assessed UMRs,the incidence of newly identified cases in the German population was 4.5 cases per 100,000 inhabitants.Conclusion:We conclude that the applied in-house PCR screening systems,which have proven to be useful for screening military returnees from tropical deployments,can also be used for health assessment of immigrants from the respective sites.Apparently healthy UMRs may be enterically colonized with a broad variety of pathogenic and apathogenic microorganisms.Increased colonization rates,as shown for G.duodenalis,can pose a hygiene problem in centralized homes for asylum seekers.
