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AI powered, automated discovery of polymer membranes for carbon capture

npj Computational Materials 2023年第1期9卷 966-976页

作者： Ronaldo Giro Hsianghan hsu Akihiro Kishimoto Toshiyuki Hama Rodrigo F.Neumann Binquan Luan Seiji Takeda Lisa Hamada Mathias B.Steiner IBM Research Av.República do Chile330CEP 20031-170 Rio de JaneiroRJBrazil IBM Research 7-7Shin-KawasakiSaiwai-KuKawasakiKanagawa 212-0032Japan IBM Research 1101 Kitchawan Road PO Box 218Yorktown HeightsNY 10598-0218USA

The generation of molecules with artificial intelligence(AI)or,more specifically,machine learning(ML),is poised to revolutionize materials *** applications range from development of potent drugs to efficient carbon capture and separation ***,existing computational discovery frameworks for polymer membranes lack automated training data creation,generative design,and physical performance validation at meso-scale where complex properties of amorphous materials *** methodological gaps are less relevant to the ML design of individual molecules such as the monomers which constitute the building blocks of ***,we report automated discovery of complex materials through inverse molecular design which is informed by meso-scale target features and process *** have explored the multi-scale discovery regime by computationally generating and validating hundreds of polymer candidates designed for application in post-combustion carbon dioxide ***,we have validated each discovery step,from training dataset creation,via graph-based generative design of optimized monomer units,to molecular dynamics simulation of gas permeation through the polymer *** the latter,we have devised a representative elementary volume(REV)enabling permeability simulations at about 1000×the volume of an individual,ML-generated monomer,obtaining quantitative *** discovery-to-validation time per polymer candidate is on the order of 100 h using one CPU and one GPU,offering a computational screening alternative prior to lab validation.

关键词： monomer latter elementary

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Super-Resolution Displacement Spectroscopic Sensing over a Surface“Rainbow”

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Engineering 2022年第10期17卷 75-81页

作者： Lyu Zhou Nan Zhang Chang Chieh hsu Matthew Singer Xie Zeng Yizheng Li Haomin Song Josep Jornet Yun Wu Qiaoqiang Gan Department of Electrical Engineering The State University of New York at BuffaloBuffaloNY 14260USA Department of Biomedical Engineering The State University of New York at BuffaloBuffaloNY 14260USA Department of Electrical and Computer Engineering Northeastern UniversityBostonMA 02115USA Material Science Engineering Program King Abdullah University of Science and TechnologyThuwal 23955-6900Saudi Arabia

Subwavelength manipulation of light waves with high precision can enable new and exciting applications in spectroscopy,sensing,and medical *** these applications,miniaturized spectrometers are desirable to enable the on-chip analysis of spectral *** particular,for imaging-based spectroscopic sensing mechanisms,the key challenge is to determine the spatial-shift information accurately(i.e.,the spatial displacement introduced by wavelength shift or biological or chemical surface binding),which is similar to the challenge presented by super-resolution ***,we report a unique"rainbow"trapping metasurface for on-chip spectrometers and *** with super-resolution image processing,the low-setting 4×optical microscope system resolves a displacement of the resonant position within 35 nm on the plasmonic rainbow trapping metasurface with a tiny area as small as0.002 *** unique feature of the spatial manipulation of efficiently coupled rainbow plasmonic resonances reveals a new platform for miniaturized on-chip spectroscopic analysis with a spectral resolution of 0.032 nm in wavelength *** this low-setting 4×microscope imaging system,we demonstrate a biosensing resolution of 1.92×109exosomes per milliliter for A549-derived exosomes and distinguish between patient samples and healthy controls using exosomal epidermal growth factor receptor(EGFR)expression values,thereby demonstrating a new on-chip sensing system for personalized accurate bio/chemical sensing applications.

关键词： Rainbow trapping Metasurface Surface plasmon polaritons Super-resolution displacement On-chip biosensing

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Scalable, Green Chain Transfer Agent for Cationic RAFT Polymerizations

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Chinese Journal of Chemistry 2023年第4期41卷 399-404页

作者： Scott W.Spring Chloe S.Cerione Jesse H.hsu Shelby L.Shankel Brett P.Fors Department of Chemistry and Chemical Biology Cornell UniversityIthacaNew York14853 United States

Cationic polymerizations of vinyl ethers have gained recent attention due to their ability to produce robust,biorenewable *** developments have been largely enabled by the advent of cationic reversible addition−fragmentation chain-transfer(RAFT)polymerization;however,the scalability and sustainability of this method are hindered by current chain-transfer agents(CTAs),which exist as viscous,colored oils requiring complex syntheses and solvent-intensive ***,we produce a solid,colorless CTA through a green synthetic route in 83%yield on a 50-gram *** investigate the utility of this CTA in chemical,electrochemical,photochemical,and acid-initiated methods,revealing that it achieves efficient polymerization with excellent control over molecular weight,low dispersity values,high chain end fidelity,and temporal control in cationic RAFT polymerizations.

关键词： Vinyl ethers CTA Cationic polymerization Green RAFT

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Effects of thermal transport properties on temperature distribution within silicon wafer

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Journal of Central South University 2014年第4期21卷 1402-1410页

作者：王爱华牛义红陈铁军 P.F.hsu School of Materials and Metallurgy Northeastern University Department of Mechanical and Aerospace Engineering Florida Institute of Technology

A combined conduction and radiation heat transfer model was used to simulate the heat transfer within wafer and investigate the effect of thermal transport properties on temperature non-uniformity within wafer surface. It is found that the increased conductivities in both doped and undoped regions help reduce the temperature difference across the wafer surface. However, the doped layer conductivity has little effect on the overall temperature distribution and difference. The temperature level and difference on the top surface drop suddenly when absorption coefficient changes from 104 to 103 m-1. When the absorption coefficient is less or equal to 103 m-1, the temperature level and difference do not change much. The emissivity has the dominant effect on the top surface temperature level and difference. Higher surface emissivity can easily increase the temperature level of the wafer surface. After using the improved property data, the overall temperature level reduces by about 200 K from the basis case. The results will help improve the current understanding of the energy transport in the rapid thermal processing and the wafer temperature monitor and control level.

关键词：温度分布热传导性能硅晶片辐射传热模型吸收系数温度监视器快速热处理非均匀性

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Successful endoscopic sclerotherapy for cholecystojejunostomy variceal bleeding in a patient with pancreatic head cancer

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World Journal of Gastroenterology 2010年第1期16卷 123-125页

作者： Yu-Chun hsu hsu-Heng Yen Maw-Soan Soon Department of Gastroenterology Changhua Christian Hospital

Variceal bleeding outside the esophagus and stomach is rare but important because of its difficult diagnosis and *** from cholecystojejunostomy varices has been reported to be a late complication of palliative biliary surgery for chronic *** ectopic variceal bleeding has never been reported after palliative surgery for pancreatic cancer,probably because of the limited lifespan of these patients. Herein,we report our successful experience using endoscopic cyanoacrylate sclerotherapy to treat bleeding from cholecystojejunostomy varices in a 57-year-old man with pancreatic head *** our knowledge,this is the first case report in the literature of this rare complication.

关键词： Ectopic varix Pancreatic cancer Cholecystojejunostomy Sclerotherapy

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The Current Immune Function of Hepatic Dendritic Cells

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Cellular & Molecular Immunology 2007年第5期4卷 321-328页

作者： Willy hsu Eric Gershwin Division of Rheumatology Allergy and Clinical ImmunologyUniversity of California at Davis School of Medicine451 E. Health Sciences DriveSuite 6510DavisCA 95616USA

While only a small percentage of the liver as dendritic cells, they play a major role in the regulation of liver immunity. Four major types of dendritic cell subsets include myeloid CD8α^-B220^-, lymphoid CD8α^＋B220^-, plasmacytoid CD8α^-B220^＋, and natural killer dendritic cell with CD8α^-B220^-NK1.1^＋ phenotype. Although these subsets have slightly different characteristics, they are all poor naive T cell stimulators. In exchange for their reduced capacity for allostimulation, hepatic DCs are equipped with an enhanced ability to secrete cytokines in response to TLR stimulation. In addition, they have increased level of phagocytosis. Both of these traits suggest hepatic DC as part of the innate immune system. With such a high rate of exposure to the dietary and commensal antigens, it is important for the hepatic DCs to have an enhanced innate response while maintaining a tolerogenic state to avoid chronic inflammation. Only upon secondary infectivity does the hepatic DC activate memory T cells for rapid eradication of recurring pathogen. On the other hand, overly tolerogenic characteristics of hepatic DC may be responsible for the increase prevalence of autoimmunity or liver malignancies.

关键词： hepatic dendritic cell immune tolerance autoimmunity

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Carbonitride MXene Ti_(3)CN(OH)_(x)@MoS_(2)hybrids as efficient electrocatalyst for enhanced hydrogen evolution

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Nano Research 2023年第4期16卷 4656-4663页

作者： Jizhou Jiang Fangyi Li Saishuai Bai Yongjing Wang Kun Xiang Haitao Wang Jing Zou Jyh-Ping hsu School of Environmental Ecology and Biological Engineering School of Chemistry and Environmental EngineeringKey Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationNovel Catalytic Materials of Hubei Engineering Research CenterWuhan Institute of TechnologyWuhan 430205China Department of Chemical Engineering “National Taiwan University”Taipei 10617

Renewable energy powered electrocatalytic water splitting is a promising strategy for hydrogen generation,and the design and development of high-efficiency and earth-abundant electrocatalysts for hydrogen evolution reaction(HER)are highly ***,MoS2 nanoflowers decorated two-dimensional carbonitride-based MXene Ti3CN(OH)x hybrids have been constructed by etching and post-hydrothermal *** electrochemical performance of the as-obtained Ti_(3)CN(OH)_(x)@MoS_(2)hybrids having a quasi core-shell structure is fascinating:An overpotential of 120 mV and a Tafel slope of 64 mV∙dec^(−1)can be delivered at a current density of 10 mA∙cm^(−2).And after 3,000 cyclic voltammetry cycles,it can be seen that there is no apparent *** the experimental results and density functional theory(DFT)calculations indicate that the synergetic effects between Ti_(3)CN(OH)x and MoS_(2)are responsible for the robust electrochemical HER *** electrons of-OH group in Ti_(3)CN(OH)x are transferred to MoS_(2),making the adsorption energy of the composite for H almost *** metallic Ti_(3)CN(OH)x is also beneficial to the fast charge transfer *** construction of MXene-based hybrids with optimal electronic structure and unique morphology tailored to the applications can be further used in other promising energy storage and conversion devices.

关键词： Ti_(3)CN(OH)x MoS_(2) hydrogen evolution reaction density functional theory(DFT)calculations

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Effect of Laser Welding on Properties of Dissimilar Joint of Al-Mg-Si and Al-Mn Aluminum Alloys

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Journal of Materials Science & Technology 2010年第3期26卷 276-282页

作者： C.C.Chang C.P.Chou S.N.hsu G.Y.Hsiung J.R.chen Department of Mechanical Engineering National Chiao-Tung University National Synchrotron Radiation Research Center Department of Biomedical Engineering and Environmental Sciences National Tsing-Hua University

This study discusses the welding properties for the components of an aluminum-alloy ultra-high vacuum chamber and beam position monitor （BPM）.The welding parameters include the modes of laser output （pulsed wave and continuous wave）,welding speed,shield gas flow,welding bead structure,and focusing *** results showed that the welding defect rate of the pulsed wave type was larger than that of the continuous wave *** crack in the welding bead reduced with decreasing welding *** fusion penetration of the welding bead was higher when the focusing distance was long enough to deepen into the welding *** morphology during the experimental process revealed the proper flow of shield *** adaptability design of the welding bead structure in the preceding processes had more effect on overall welding structure and morphology.

关键词： Laser welding Aluminum alloy Ultra-high vacuum Beam position monitor (BPM)

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Comprehensive characterization of ambient nanoparticles collected near an industrial science park:Particle size distributions and relationships with environmental factors

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Journal of Environmental Sciences 2011年第8期23卷 1334-1341页

作者： Yuhjeen Huang Lingyen hsu Yunghsun Chang Department of Biomedical Engineering and Environmental Sciences "National" Tsing Hua University

We investigated the characteristics of ambient particles and their relationships with various environmental factors, including gaseous pollutants （CI-h, non-methane hydrocarbons （NMHC）, total hydrocarbons （THC）, NOx, CO, SO2）, meteorological parameters （humidity, temperature）, and time （day/night, workday/weekend）. We used an electrical low-pressure cascade impactor to measure the number and size distributions of ambient particles （0.007-10 ~m） that were collected approximately 1 km northwest of Hsinchu Science Park in Taiwan between February and May 2007. The number concentrations of particles were enhanced through photochemical reactions during the day. In addition, high traffic flow during workdays increased the formation of particulates. Except for SO2, all of the gaseous pollutants we studied （CH4, NMHC, THC, NOx, CO） correlated positively with the total number concentrations of ambient particles during daytime, indicating that they might contribute to the particulate burden. The poorer relationship between the SO2 level and the total number concentration of particles suggests that SO2 might participate indirectly in the nucleation process during particle formation, The high enrichment factors for Zn, Pb, Cu, and Mn, which mostly comprised the ultrafine particles （diameter：〈 0.1 Ixm） and fine particles （diameter： 0.1-1 ~tm）, presumably arose from emissions from traffic and high technology factories. Heterogeneous reactions on solid particles might play a role in the removal of SOx and NOx from the atmosphere. Sulfides and nitrides can further react with these local pollutants, forming specific Cu-containing compounds： Cut （39%）, CuSO4 （34%）, and Cu（NO3）2 （27%）, within the ambient particles in this industrial area.

关键词： environmental factors ambient particles electrical low-pressure impactor (ELPI) XANES

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Effects of intravascular laser phototherapy on delayed neurological sequelae after carbon monoxide intoxication as evaluated by brain perfusion imaging:A case report and review of the literature

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World Journal of Clinical Cases 2021年第13期9卷 3048-3055页

作者： Chuan-Ching Liu Chun-Sheng hsu Hsin-chen He Yuan-Yang cheng Shin-Tsu Chang Department of Physical Medicine and Rehabilitation Taichung Veterans General HospitalTaichung 407Taiwan Department of Public Health and Institute of Public Health Chung Shan Medical UniversityTaichung 402Taiwan Department of Rehabilitation Science Jenteh Junior College of MedicineNursing and ManagementMiaoli 356Taiwan School of Medicine National Yang-Ming UniversityTaipei 112Taiwan Center for Geriatrics and Gerontology Taichung Veterans General HospitalTaichung 407Taiwan Department of Physical Medicine and Rehabilitation Tri-Service General HospitalSchool of MedicineNational Defense Medical CenterTaipei 114Taiwan

BACKGROUND Delayed neurological sequelae(DNS)caused by carbon monoxide(CO)intoxication poses considerable treatment challenges for clinical *** this report,we used nuclear medicine imaging and the Mini-Mental State Examination(MMSE)to evaluate the effectiveness of intravascular laser irradiation of blood(ILIB)therapy for the management of *** SUMMARY A 51-year-old woman presented to our medical center experiencing progressive bradykinesia,rigidity of limbs,gait disturbance,and cognitive *** on her neurological deficits,laboratory tests and imaging findings,the patient was diagnosed with delayed neurological sequelae of CO *** received intensive rehabilitation and ILIB therapy during 30 sessions over 2 mo after *** single-photon emission computed tomography was performed both prior to and after ILIB *** original hypoperfusion area in bilateral striata,bilateral frontal lobe,right parietal lobe,and bilateral cerebellum showed considerable improvement after completion of *** patient’s MMSE score also increased markedly from 6/30 to 25/*** of DNS became barely detectable,and the woman was able to carry out her daily living activities *** ILIB therapy could facilitate recovery from delayed neurological sequelae in patients with CO intoxication,as demonstrated by improved cerebral blood flow and functional outcomes in our patient.

关键词： Carbon monoxide poisoning Delayed neurological sequelae Intravascular laser irradiation of blood Redistribution Single photon emission computed tomography Case report

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