Machine learning for membrane design and discovery

Membrane technologies are becoming increasingly versatile and helpful today for sustainable development.Machine Learning(ML),an essential branch of artificial intelligence(AI),has substantially impacted the research and development norm of new materials for energy and environment.This review provides an overview and perspectives on ML methodologies and their applications in membrane design and dis-covery.A brief overview of membrane technologies isfirst provided with the current bottlenecks and potential solutions.Through an appli-cations-based perspective of AI-aided membrane design and discovery,we further show how ML strategies are applied to the membrane discovery cycle(including membrane material design,membrane application,membrane process design,and knowledge extraction),in various membrane systems,ranging from gas,liquid,and fuel cell separation membranes.Furthermore,the best practices of integrating ML methods and specific application targets in membrane design and discovery are presented with an ideal paradigm proposed.The challenges to be addressed and prospects of AI applications in membrane discovery are also highlighted in the end.

Cyber-Physical Production Systems for Data-Driven,Decentralized,and Secure Manufacturing-A Perspective

With the concepts of Industry 4.0 and smart manufacturing gaining popularity,there is a growing notion that conventional manufacturing will witness a transition toward a new paradigm,targeting innovation,automation,better response to customer needs,and intelligent systems.Within this context,this review focuses on the concept of cyber–physical production system(CPPS)and presents a holistic perspective on the role of the CPPS in three key and essential drivers of this transformation:data-driven manufacturing,decentralized manufacturing,and integrated blockchains for data security.The paper aims to connect these three aspects of smart manufacturing and proposes that through the application of data-driven modeling,CPPS will aid in transforming manufacturing to become more intuitive and automated.In turn,automated manufacturing will pave the way for the decentralization of manufacturing.Layering blockchain technologies on top of CPPS will ensure the reliability and security of data sharing and integration across decentralized systems.Each of these claims is supported by relevant case studies recently published in the literature and from the industry;a brief on existing challenges and the way forward is also provided.

Dynamic culture of a thermosensitive collagen hydrogel as an extracellular matrix improves the construction of tissue-engineered peripheral nerve

Tissue engineering technologies offer new treatment strategies for the repair of peripheral nerve injury, hut cell loss between seeding and adhesion to the scaffold remains inevitable. A thermosensitive collagen hydrogel was used as an extracellular matrix in this study and combined with bone marrow mesenchymal stem cells to construct tissue-engineered peripheral nerve composites in vitro. Dynamic culture was performed at an oscillating frequency of 0.5 Hz and 35° swing angle above and below the horizontal plane. The results demonstrated that bone marrow mesenchymal stem cells formed membrane-like structures around the poly-L-lactic acid scaffolds and exhibited regular alignment on the composite surface. Collagen was used to fill in the pores, and seeded cells adhered onto the poly-L-lactic acid fibers. The DNA content of the bone marrow mesenchymal stem cells was higher in the composites constructed with a thermosensitive collagen hydrogel compared with that in collagen I scaffold controls. The cellular DNA content was also higher in the thermosensitive collagen hydrogel composites constructed with the thermosensitive collagen hydrogel in dynamic culture than that in static culture. These results indicate that tissue-engineered composites formed with thermosensitive collagen hydrogel in dynamic culture can maintain larger numbers of seeded cells by avoiding cell loss during the initial adhe-sion stage. Moreover, seeded cells were distributed throughout the material.

Targeting FGFR in non-small cell lung cancer:implications from the landscape of clinically actionable aberrations of FGFR kinases

Objective:Dysfunction in fibroblast growth factor receptor(FGFR)signaling has been reported in diverse cancer types,including non-small cell lung cancer(NSCLC).The frequency of FGFR aberrations in Chinese NSCLC patients is therefore of great clinical significance.Methods:A total of 10,966 NSCLC patients whose tumor specimen and/or circulating cell-free DNA(cf DNA)underwent hybridization capture-based next-generation sequencing were reviewed.Patients'clinical characteristics and treatment histories were also evaluated.Results:FGFR aberrations,including mutations,fusions,and gene amplifications,were detected in 1.9%(210/10,966)of the population.FGFR abnormalities were more frequently observed in lung squamous cell carcinomas(6.8%,65/954)than lung adenocarcinomas(1.3%,128/9,596).FGFR oncogenic mutations were identified in 19 patients(~0.17%),of which,68%were male lung squamous cell carcinoma patients.Eleven out of the 19 patients(58%)had concurrent altered PI3 K signaling,thus highlighting a potential combination therapeutic strategy of dual-targeting FGFR and PI3 K signaling in such patients.Furthermore,FGFR fusions retaining the intact kinase domain were identified in 12 patients(0.11%),including 9 FGFR3-TACC3,1 FGFR2-INA,1 novel FGFR4-RAPGEFL1,and 1 novel fusion between the FGFR1 and SLC20 A25′-untranslated regions,which may have caused FGFR1 overexpressions.Concomitant EGFR mutations or amplifications were observed in 6 patients,and 4 patients received anti-EGFR inhibitors,in whom FGFR fusions may have mediated resistance to anti-EGFR therapies.FGFR amplification was detected in 24 patients,with the majority being FGFR1 amplifications.Importantly,FGFR oncogenic mutations,fusions,and gene amplifications were almost always mutually exclusive events.Conclusions:We report the prevalence of FGFR anomalies in a large NSCLC population,including mutations,gene amplifications,and novel FGFR fusions.

Constructing a hollow core-shell structure of RuO_(2) wrapped by hierarchical porous carbon shell with Ru NPs loading for supercapacitor

Hollow core-shell structure nanomaterials have been broadly used in energy storage, catalysis, reactor,and other fields due to their unique characteristics, including the synergy between different materials,a large specific surface area, small density, large charge carrying capacity and so on. However, their synthesis processes were mostly complicated, and few researches reported one-step encapsulation of different valence states of precious metals in carbon-based materials. Hence, a novel hollow core-shell nanostructure electrode material, RuO_(2)@Ru/HCs, with a lower mass of ruthenium to reduce costs was constructed by one-step hydrothermal method with hard template and co-assembled strategy, consisting of RuO_(2) core and ruthenium nanoparticles(Ru NPs) in carbon shell. The Ru NPs were uniformly assembled in the carbon layer, which not only improved the electronic conductivity but also provided more active centers to enhance the pseudocapacitance. The RuO_(2) core further enhanced the material’s energy storage capacity. Excellent capacitance storage(318.5 F·g^(-1)at 0.5 A·g^(-1)), rate performance(64.4%) from 0.5 A·g^(-1)to 20 A·g^(-1), and cycling stability(92.3% retention after 5000 cycles) were obtained by adjusting Ru loading to 0.92%(mass). It could be attributed to the wider pore size distribution in the micropores which increased the transfer of electrons and protons. The symmetrical supercapacitor device based on RuO_(2)@Ru/HCs could successfully light up the LED lamp. Therefore, our work verified that interfacial modification of RuO_(2) and carbon could bring attractive insights into energy density for nextgeneration supercapacitors.

Laser Oscillating of Nickel Alloyed Welds on Press‑Hardened Steel

Laser oscillating welding was employed to fabricate Al-Si coated press-hardened steel(PHS)to improve the element homogeneity in the fusion zone.Laser oscillating welding was employed with various oscillation amplitudes(0 mm,0.5 mm and 1.3 mm)in this present.Ni foil of 0.06 mm thickness was used as an interlayer between two tailored PHS welded.The weld morphology,elemental profile,microstructure and tensile strength of welded joints were studied.The results showed that full penetration weld without any weld defects were achieved for any oscillation amplitudes,and weld width increased with increasing oscillation amplitudes.With the oscillation amplitudes increased,Ni and Al had an uneven elemental profile due to strong stirring force,but the Ni and Al content in the weld was decreased and Ni had a sharp descent compared to Al element.Only fewδ-ferrite was presented in fusion line with the oscillation amplitudes increased to 1.3 mm.The oscillation amplitudes did not have an effect on the tensile properties,which was similar to that of base metal.But if keeping increasing the oscillation amplitudes or reducing the thickness of Ni interlayer,it has a potential risk to form more and moreδferrite such that deteriorate the mechnical properties of welded joints.

Prompt acceleration of a μ^(+) beam in a toroidal wakefield driven by a shaped steep-rising-front Laguerre–Gaussian laser pulse

Recent experimental data for anomalous magnetic moments strongly indicates the existence of new physics beyond the Standard Model.Energetic μ^(+) bunches are relevant to μ^(+) rare decay,spin rotation,resonance and relaxation(μSR)technology,future muon colliders,and neutrino factories.In this paper,we propose prompt μ^(+) acceleration in a nonlinear toroidal wakefield driven by a shaped steep-rising-front Laguerre–Gaussian(LG)laser pulse.An analytical model is described,which shows that a μ^(+) beam can be focused by an electron cylinder at the centerline of a toroidal bubble and accelerated by the front part of the longitudinal wakefield.A shaped LG laser with a short rise time can push plasma electrons,generating a higher-density electron sheath at the front of the bubble,which can enhance the acceleration field.The acceleration field driven by the shaped steep-rising-front LG laser pulse is about four times greater than that driven by a normal LG laser pulse.Our simulation results show that a 300 MeV μ^(+) bunch can be accelerated to 2 GeV and its transverse size is focused from an initial value of w_(0)=5μm to w=2μm in the toroidal bubble driven by the shaped steep-rising-front LG laser pulse with a normalized amplitude of a=22.

Secure vehicular data communication in Named Data Networking

Vehicular data misuse may lead to traffic accidents and even loss of life,so it is crucial to achieve secure vehicular data communications.This paper focuses on secure vehicular data communications in the Named Data Networking(NDN).In NDN,names,provider IDs and data are transmitted in plaintext,which exposes vehicular data to security threats and leads to considerable data communication costs and failure rates.This paper proposes a Secure vehicular Data Communication(SDC)approach in NDN to supress data communication costs and failure rates.SCD constructs a vehicular backbone to reduce the number of authenticated nodes involved in reverse paths.Only the ciphtertext of the name and data is included in the signed Interest and Data and transmitted along the backbone,so the secure data communications are achieved.SCD is evaluated,and the data results demonstrate that SCD achieves the above objectives.

Genomic dissection of gastrointestinal and lung neuroendocrine neoplasm

Objective:Neuroendocrine neoplasms(NENs)are relatively rare and heterogeneous malignancies with two major subtypes:low-grade neuroendocrine tumor(NET)and high-grade neuroendocrine carcinoma(NEC).Comprehensive molecular characterization of NENs is needed to refine our understanding of the biological underpinnings of different NEN subtypes and to predict disease progression more accurately.Methods:We performed whole-exome sequencing(WES)of NEN samples from 49 patients(25 NETs and 24 NECs)arising from the stomach,intestines or lung.Clinicopathologic features were assessed and associated with molecular events.Results:NENs generally harbor a low mutation burden,with TP53 being the top mutated gene found in 31%of patients.Consistent with other studies,p53 signaling pathway dysfunction is significantly enriched in NECs compared to NETs(P<0.01).Other than TP53,tissue type-specific mutation profiles of NENs were observed in our cohort compared to those reported in pancreatic NETs.Importantly,we observed significant genomic instability,with increased copy number alterations observed across the NEN genome,which was more profound in NECs and independently correlated with poor overall survival(OS)(P<0.001).NECs could be further stratified into two molecular subtypes based on OS(P<0.001)and the chromosomal instability score(CIS).Interestingly,we discovered that the gain of whole chromosome 5 occurred at the early stage of NEN development,followed by the loss of 5 q exclusively in NECs(P<0.001).Conclusions:These findings provide novel insights into the molecular characteristics of NENs and highlight the association of genomic stability with clinical outcomes.

Wortmannin induced apoptosis of leukemia cells by reducing PI3K/Akt

Objective： We studied the effects of Wortmannin （WM） on the proliferation and apoptosis of leukemia cells, and explore the possible mechanisms. Methods： The human myeloid leukemia cell line K562 was treated with different concentrations of WM, and then detected the activity of the cell proliferation by MTT assay, comet tail formation of cell DNA damage phenomenon by single cell gel electrophoresis, cell apoptosis byAnnexin V-FITC/PI double staining and the expression levels of total Akt, phoshorylated Akt, NF-KB and protein in K562 cell by Western blotting, RT-PCR test before and after WM. Results： WM inhibited cell proliferation of K562 in a concentration-dependent manner, with IC50 value for 24 h being 25 nmol/L. WM induced apoptosis of K562 cells in a concentration-dependent manner, and could induce the breakage of DNA strand of K562 cell. The rate of DNA tail and the tail length of experimental groups were significantly higher than that of control group. WM may inhibit the expression of phosphorylated Akt and NF-KB protein in a dose-dependent manner in both the protein and gene levels, but no significant effect on total Akt protein. Conclusion： WM inhibited cell proliferation and induced apoptosis in K562 and concentration-dependent manner. The possible mechanism may be involved in the regulation of survival signaling pathway, such as PI3K/Akt/NK-KB.

Study of Celastrol on Akt Signaling Pathway and Its Roles in the Apoptosis of K562 Cells

The purpose Celastrol, the main active compound of the Celastrus genus plants, belonging to Celastraceae, has recently marked antitumour potency on solid tumours of various derivations, Methods: We demonstrate here that Celastrol also present powerful antileukaemic potency through both growth arrest and apoptosis induction in K562 cells, which was accompanied by typical apoptotic morphological and sharp decreased expression of phosphorylation level of Caspase family members and Akt signaling pathway related proteins were determined by western blot before and after celastrol treatment, and further the effect of AKT signaling pathway on celastrol-induced-apoptosis was analyzed. However, in vitro treatment with Celastrol resulted in significantly reduced expression of phophorylation of Akt, Survivin and Bcl-2 significantly in K562 cells. Results: 25 nmol/L WORT (PI3K-Akt inhibitor) can significantly augmented cell apoptosis induced by Celastrol in K562 cells in dose-dependent manner, Moreover, most Caspase3,8,6 were activated in K562 cells during Celastrol treatment, 50 μmol/Lz-VAD-fmk (Caspase inhibitor) can to enhance the apoptosis induced by Celastrol. Discussion: These results suggest that the fact that Akt signaling pathway might act as new targets of Celastrol, correlates well with the sensitivity to Celastrol, as well as the rate of apoptosis induced by Celastrol, Mechanisms that regulate Akt signaling pathway may be provide novel opportunities for drug development.

A machine-learning-enabled approach for bridging multiscale simulations of CNTs/PDMS composites

Benefitting from the interlaced networking structure of carbon nanotubes(CNTs),the composites of CNTs/polydimethylsiloxane(PDMS)have found extensive applications in wearable electronics.While hierarchical multiscale simulation frameworks exist to optimize the structure parameters,their wide applications were hindered by the high computational cost.In this study,a machine learning model based on the artificial neural networks(ANN)embedded graph attention network,termed as AGAT,was proposed.The datasets collected from the micro-scale and the macro-scale simulations are utilized to train the model.The ANN layer within the model framework is trained to pass the information from micro-scale to macro-scale,while the whole model is aimed to predict the electro-mechanical behavior of the CNTs/PDMS composites.By comparing the AGAT model with the original multiscale simulation results,the data-driven strategy is shown to be promising with high accuracy,demonstrating the potential of the machine-learning-enabled approach for the structure optimization of CNT-based composites.

Mn-based MXene with high lithium-ion storage capacity

3d-transition metal(Fe,Co,Ni,and Mn)-based MXene materials have been predicted to demonstrate exceptional electrochemical performance because of their good electrical conductivity and the presence of metallic atoms with multiple charge states.However,until now,there have been no reports on MXenes based on Fe,Co,Ni,and Mn,due to the lack of 3d-metal-layered precursors.Herein,we successfully synthesized the first 3d-transition metal-based MXenes,Mn_(2)CT_(x) by exfoliating a layered precursor derived from the anti-perovskite bulk Mn3GaC.The as-prepared Mn_(2)CT_(x) MXene nanosheets were employed as anode materials in lithium-ion batteries,which exhibited stable storage capacity of 764.7 mAh·g^(-1) at 0.5 C,placing its storage capacities at an upper-middle level compared with other reported MXene materials as well as other Mn-based anode materials.Overall,this study opens a new avenue for MXene research by synthesizing 3d-transition metal-based MXenes for electrochemical applications.

化学品智能制造的科学基础

基于第318期“双清论坛”,面向通过人工智能技术促进化工基础理论发展和指导产业化实践的目标,本文介绍了化学品智能制造的科学背景,凝练了人工智能方法与化工基础研究和产业化实践深度融合的关键科学问题,展示了近年来化学品制造工艺变革、技术和装备创新、系统集成和优化控制等方面的研究进展,对化工过程智能化研究提出建议,推动我国在化学品智能制造原理和方法上的重大创新。

变革性储能技术的化学工程科学问题

本文归纳总结了变革性储能技术的研发现状和发展趋势。从化学工程学科的角度,分析了变革性储能技术发展面临的主要挑战,凝练了储能材料—器件—系统亟需解决的关键科学问题,提出了“新能源化工”发展的新思路及未来的研究重点,助力推动我国变革性储能技术的研发能力提升,为促进绿色低碳发展发挥战略性、基础性和先导性作用。

Testing method and distribution characteristics of spatial pesticide spraying deposition quality balance for unmanned aerial vehicle

In order to explore the spatial pesticide spraying deposition distribution,the downwash flow field characteristics for unmanned aerial vehicle(UAV)pesticide application with accurate flight height and velocity and the relationship of these two aspects,a novel measurement method was proposed in this paper.A model‘3WQF80-10’single-rotor diesel UAV was tested using this method in wheat field and the effects of flight direction,flight parameters and crosswind on the distribution of spatial spraying deposition quality balance(SSDQB)and the downwash flow field distribution were researched.A cuboid aluminum sampling frame of spatial spraying deposition quality balance(SFSSDQB)with monofilament wires was made for collecting the droplets in four directions,and a set of multi-channel micro-meteorology measurement system(MMMS)was applied for measuring the downwash wind speed in three directions.Besides,BeiDou Navigation Satellite System(BNSS)was used for controlling and recording the working height,velocity and track of this model of single-rotor UAV.The results showed the distribution of the spatial spray deposition and the downwash flow field of UAV could be measured effectively at exact flight height and velocity via this method.When the average wind speed was 0.9 m/s,the average temperature was 31.5℃ and the average relative humidity was 34.1%,and the average distribution ratios of spraying deposition for model‘3WQF80-10’UAV on the upwind part,the top part,the downwind part and the bottom part were 4.4%,2.3%,50.4%and 43.7%,respectively.The flight directions of forward and backward had an impact on droplet deposition distribution and the working effect of flying backwards,with 60%of deposition ratio of the bottom part of the SFSSDQB,was better than flying forward.There was a linear negative correlation between the coefficient of variation(CV)of the bottom part and the flight height and the coefficient of determination was 0.9178,which means that the deposition distribution becomes more uniform with the increase of height.Additionally,there was a linear positive correlation between weighted mean deposition rate and crosswind speed and the coefficient of determination was 0.9684,which shows the deposition distribution gets more concentrated towards the downwind part with the rise of crosswind speed.Therefore,according to the results of tests of downwash airflow speed,it is shown that regardless of the flight direction and height and the crosswind,all these factors influence the droplet deposition distribution via weakening the intensity of the downwash airflow field in the direction perpendicular to the ground.The results can provide valuable information for the research of UAV pesticide application techniques and the establishment of the standard of spraying deposition and drift tests of UAV in crop field.

Effect of Laser Welding Process Parameters on Microstructure and Mechanical Properties on Butt Joint of New Hot-Rolled Nano-scale Precipitation-Strengthened Steel

A 4 kW fiber laser was chosen to weld the new hot-rolled nano-scale precipitation-strengthened steel with a thickness of 4.5 mm. The effect of laser power, defocusing distance, and welding speed on the welded joint appearance was examined, and the microstructure and mechanical properties on the typical butt joints were investigated. Results showed that increasing laser welding power may cause faster downward flow of molten metal to produce greater root humping. With the welding speed increasing, the average welding seam （WS） width decreased, and the average WS and heat-affected zone （HAZ） hardness increased. The microstructures of WS, fusion line, and coarse grain heat-affected zone were lath martensite, but the growth direction of the original austenite grain boundaries was significantly different. The microstructures of fine grain heat-affected zone were ferrite and martensite, and the microstructure of mixed grain heat- affected zone contained ferrite, massive M/A island, and a small amount of martensite. The micro-hardness values of WS, HAZ, and base metal （BM） were 358, 302, and 265 HV, respectively. The butt joint fracture at the BM far from the WS and the welded joint tensile strength are observed to follow proportional relationship with hardness.

Drift potential of UAV with adjuvants in aerial applications

The reduction of pesticide aerial spraying drift is still one of the major challenges in modern agriculture.The aim of this study was to evaluate the drift potential of different types of unmanned aerial vehicle(UAV)and adjuvant products for reducing spray drift in aerial applications.Three types of UAV(3WQF120-12 and 3CD-15 fuel oil powered single-rotor UAV and HY-B-15L battery powered single-rotor UAV)were selected in this study with regular application parameters to compare each spray drift,and 3WQF120-12 fuel oil powered UAV was selected to quantify spray drift of 6 adjuvants dissolved in water under field conditions.Solutions were marked with brillant sulfoflavin dye(BSF)at 0.1%.Petri dishes and rotary impactors were used to collect airborne and sediment drift,respectively.Drift deposits were evaluated by spectrophotometry in order to quantify deposits.The results showed that when the flight height was 1.5-2.0 m above the crop at the flight speed of 4-5 m/s and the average wind speed of 1.63-1.73 m/s,3WQF120-12 fuel oil powered UAV had lower drift potential than the other two types;DV0.5 and percentage of droplets with diameter≤75μm had very significant effects on spray drift percentage(p=0.01);the risk of drift in agricultural spraying could be significantly decreased not only by reducing the percentage of fine droplets but also by changing droplet spectra.Compared to water,Silwet DRS-60,ASFA+B,T1602,Break-thru Vibrant,QF-LY and Tmax could reduce by 65%,62%,59%,46%,42%,and 19%spray drift,respectively.when water without adjuvants were sprayed,90%of drift droplets were located within a range of 10.1 m of the target area while with 0.8%Silwet DRS-60 adjuvant in water,the distance was shortened to 6.4 m.

Human health ambient water quality criteria for 13 heavy metals and health risk assessment in Taihu Lake

Heavy metals are widely concerning because of their toxicity,persistence,non-degradation and bioaccumulation ability.Iluman health ambient water quality criteria(AWQC)are specific levels of chemicals that can occur in water without harming human health.At present,most countries do not consider the effects of aquatic vegetables in deriving human health AWQC.Therefore,the intake of aquatic vegetables(Brasenia schreberi)was added to the derivation of human health AWQC and a health risk assessment for 13 heavy metals in Taihu Lake.The human health AWQC(consumption of water,fish and aquatic vegetables)values of 13 heavy metals ranged from 0.04(Cd)to 710.87μg/L(Sn),and the intake of B.schreberi had a very significant effect on the human health AWQC for Cu,with a more than 62-fold difference.The hazard quotients of As(2.8),Cd(1.6),Cr(1.4)and Cu(4.86)were higher than the safe level(HQ=1),indicating that As,Cd,Cr and Cu in Taihu Lake posed a significant health risk.Sensitivity analysis showed that the contribution rate of B.schreberi intake to the human health risk from Cu was 91.6%,and all results indicated that the risk of Cu in B.schreberi to human health should be of particular concern.This study adds the consideration of aquatic vegetable consumption to the traditional method of human health AWQC derivation and risk assessments for the first time,and this approach can promote the development of risk assessments and water quality criteria.

Heterologous biosynthesis of natural product naringenin by co-culture engineering

Co-culture engineering is an emerging approach for microbial biosynthesis of a variety of biochemicals.In this study,E.coli-E.coli co-cultures were developed for heterologous biosynthesis of the natural product naringenin.The co-cultures were composed of two independent E.coli strains dedicated to functional expression of different portions of the biosynthetic pathway,respectively.The co-culture biosynthesis was optimized by investigating the effect of carbon source,E.coli strain selection,timing of IPTG induction and the inoculation ratio between the co-culture strains.Compared with the monoculture strategy,the utilization of the designed co-cultures significantly improved the naringenin production,largely due to the reduction of metabolic stress,employment of proper hosts for improving pathway enzyme activities,and flexible adjustment of the relative biosynthetic strength between the coculture strains.The findings of this study extend the applicability of co-culture engineering in complex natural product biosynthesis.