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| 1 | Diversity and ecological distribution of endophytic fungi associated with medicinal plants显示文摘A total of 973 isolates of endophytic fungi were recovered from 1144 tissue fragments of the six me-dicinal plant species belonging to 4 families collected in the Beijing Botanical Garden. Of these isolates 778 sporulated and were identified into 21 taxa by morphological characteristics. Among the taxa 11 belonged to Coelomycetes, 6 to Ascomycetes, and 4 to Hyphomycetes. Various numbers of endophytic fungi (5―8 taxa) were obtained from each plant. Alternaria alternata was the dominant species in the 6 plants, and Microsphaeropsis conielloides was also dominant in Eucommia ulmoides. There were high colonization rates (47.9%―63.1%) and isolation rates (0.7―0.93) of endophytic fungi, and they were conspicuously higher in twigs than those in leaves in the 6 plants examined. The colonization and isolation rates of endophytic fungi increased with the twig age. The results based on the analyses of cluster and Sorenson's similarity coefficients indicated that some endophytic fungi showed a certain degree of host and tissue preference. | SUN JianQiu1,2,3, GUO LiangDong1, ZANG Wei2,3, PING WenXiang4 & CHI DeFu3 1 Systematic Mycology and Lichenology Laboratory, Institute of Microbiology, Chinese Academy of Sciences, Beijing 100101, China 2 College of Life Science and Engineering, Qiqihar University, Qiqihar 161006, China 3 College of Forestry, Northeast Forestry University, Harbin 150040, China 4 College of Life Science, Heilongjiang University, Harbin 150080, China | 2008 | Science China(Life Sciences)2008，51，8： | 34 |
| 2 | Hepatocellular carcinoma redirects to ketolysis for progression under nutrition deprivation stress显示文摘癌症房间以他们的能力著名给新陈代谢的小径换新电线在各种各样的压力条件下面支持幸存和增长。尽管在肝生产了,酉同类身体没在正常的成年的肝房间被消费。我们这里发现酉同类分解代谢或 ketolysis 在 hepatocellular 被重新激活在营养剥夺条件下面的癌(HCC ) 房间。机械学地, 3-oxoacid CoA-transferase 1 (OXCT1 ) ,其表情在正常的成年的肝纸巾被压制的限制率的 ketolytic 酶,被浆液重新导致被触发饥饿的 mTORC2-AKT-SP1 在 HCC 房间发信号。而且,我们观察到在 HCC 的那提高的 ketolysis 为 AMPK 激活的压抑是批评的并且保护 HCC 房间免受过多的 autophagy 的伤害,从而提高肿瘤生长。重要地,临床的 HCC 样品的分析表明那增加的 OXCT1 表情预言更高耐心的死亡。一起拿,我们这里揭开剥夺营养的 HCC 房间为精力由采用酉同类身体的新奇新陈代谢的改编供应和癌症前进。 | De Huang Tingting Li Lin Wang Long Zhang Ronghui Yan Kui Li Songge Xing Gongwei Wu Lan Hu Weidong Jia Sheng-Cai Lin Chi V Dang Libing Song Ping Gao Huafeng Zhang | 2016 | Cell Research2016，26，10： | 27 |
| 3 | Predictive Value of Serum Creatinine, Blood Urea Nitrogen,Uric Acid, and β2-Microglobulin in the Evaluation of Acute Kidney Injury after Orthotopic Liver Transplantation显示文摘 | Hai-Yang Lu Xin-Yu Ning Ying-Qi Chen Shu-Jun Han Ping Chi Sai-Nan Zhu Yun Yue | 2018 | Chinese Medical Journal2018，，9： | 23 |
| 4 | Epigastric pain syndrome: What can traditional Chinese medicine do? A randomized controlled trial of Biling Weitong Granules显示文摘BACKGROUND Recent research suggests that although prokinetic agents,acid suppressors,and radical treatment for Helicobacter pylori infection may be effective in patients with functional dyspepsia(FD),a large proportion of patients still fail to respond to these treatments or may suffer from severe adverse reactions.Many traditional Chinese medicinal herbs can regulate the status of the entire body and have special advantages in the treatment of functional diseases.The present study was designed to verify the efficacy of Biling Weitong Granules(BLWTG),a traditional Chinese medicinal herbal compound formula,in alleviating epigastric pain syndrome(EPS)in FD patients,in an attempt to provide an effective prescription for the clinical treatment of this disease.AIM To evaluate the clinical efficacy and safety of BLWTG in treating EPS in patients with FD.METHODS In this multicenter,stratified,randomized,double-blind,placebo-controlled,parallel group clinical trial,eligible patients were randomized into the BLWTG and placebo groups who were treated for 6 wk.Efficacy indicators including the severity and frequency of EPS and the time to pain resolution and safety indicators including adverse events were observed and compared.RESULTS The baseline demographic data and clinical characteristics,such as epigastric pain symptoms,pain intensity,and frequency of attacks,were matched between the two groups before randomization.After 6 wk of treatment and after the center effect was eliminated,the epigastric pain was significantly improved in 28.33%and 85.59%of the patients in the placebo and BLWTG groups,respectively(P<0.05).At 6 wk,the resolution rate of epigastric pain was 15%and 69.49%in the placebo and BLWTG groups,respectively(P<0.05).The differences of total FD clinical score between these two groups were significant(P<0.05)at 2,4,and 6 wk(P<0.05).The scores of each item and the total score in the Functional Digestive Disorders Quality of Life Questionnaire showed significant differences between the two groups at 6 wk after both the center and interaction effects were eliminated(P<0.05).There was no significant difference in the incidence of adverse events between the two groups,and no serious adverse event was noted during the observation.CONCLUSION Compared with placebo,BLWTG markedly improved EPS in FD patients without causing serious adverse reactions. | Yan-Dong Wen Fang Lu Ying-Pan Zhao Ping Wang Qian Yang Jun-Xiang Li Hui-Zhen Li Li-Li Chi Zheng-Hua Zhou Yan-Ping Tang Jin-Kang Xu Yang Zhao Xu-Dong Tang | 2020 | World Journal of Gastroenterology2020，26，28： | 16 |
| 5 | Kinetics of the accumulation of group 2 innate lymphoid cells in IL-33-induced and IL-25-induced murine models of asthma:a potential role for the chemokine CXCL16显示文摘ILC2s are implicated in asthma pathogenesis, but little is known about the mechanisms underlying their accumulation in airways.We investigated the time course of ILC2 accumulation in different tissues in murine models of asthma induced by a serial per-nasalchallenge with ovalbumin (OVA), house dust mice (HDM), IL-25 and IL-33 and explored the potential roles of ILC2-attractingchemokines in this phenomenon. Flow cytometry was used to enumerate ILC2s at various time points. The effects of cytokines andchemokines on ILC2 migration were measured in vitro using a chemotaxis assay and in vivo using small animal imaging. Comparedwith saline and OVA challenge, both IL-25 and IL-33 challenge alone induced significant accumulation of ILC2s in the mediastinallymph nodes, lung tissue and bronchoalveolar lavage fluid of challenged animals, but with a distinct potency and kinetics. In vitro,IL-33 and CXCL16, but not IL-25 or CCL25, directly induced ILC2 migration. Small animal in vivo imaging further confirmed that asingle intranasal provocation with IL-33 or CXCL16 was sufficient to induce the accumulation of ILC2s in the lungs followinginjection via the tail vein. Moreover, IL-33-induced ILC2 migration involved the activation of ERK1/2, p38, Akt, JNK and NF-κB, whileCXCL16-induced ILC2 migration involved the activation of ERK1/2, p38 and Akt. These data support the hypothesis that epitheliumderived IL-25 and IL-33 induce lung accumulation of ILC2s, while IL-33 exerts a direct chemotactic effect in this process. AlthoughILC2s express the chemokine receptors CXCR6 and CCR9, only CXCL16, the ligand of CXCR6, exhibits a direct chemoattractanteffect. | Yan Li Shihao Chen Yafei Chi Yiran Yang Xiwen Chen Huating Wang Zhe Lv Jingjing Wang Linjie Yuan Ping Huang Kewu Huang Chris JCorrigan Wei Wang Sun Ying | 2019 | Cellular & Molecular Immunology2019，16，1： | 13 |
| 6 | Antiphospholipid Antibody Titers and Clinical Outcomes in Patients with Recurrent Miscarriage and Antiphospholipid Antibody Syndrome: A Prospective Study显示文摘 | Yu Song Hai-Yan Wang Jie Qiao Ping Liu Hong-Bin Chi | 2017 | Chinese Medical Journal2017，，3： | 11 |
| 7 | An electrostatic spectral neighbor analysis potential for lithium nitride显示文摘Machine-learned interatomic potentials based on local environment descriptors represent a transformative leap over traditional potentials based on rigid functional forms in terms of prediction accuracy.However,a challenge in their application to ionic systems is the treatment of long-ranged electrostatics.Here,we present a highly accurate electrostatic Spectral Neighbor Analysis Potential(eSNAP)for ionicα-Li3N,a prototypical lithium superionic conductor of interest as a solid electrolyte or coating for rechargeable lithium-ion batteries.We show that the optimized eSNAP model substantially outperforms traditional Coulomb–Buckingham potential in the prediction of energies and forces,as well as various properties,such as lattice constants,elastic constants,and phonon dispersion curves.We also demonstrate the application of eSNAP in long-time,large-scale Li diffusion studies in Li3N,providing atomistic insights into measures of concerted ionic motion(e.g.,the Haven ratio)and grain boundary diffusion.This work aims at providing an approach to developing quantum-accurate force fields for multi-component ionic systems under the SNAP formalism,enabling large-scale atomistic simulations for such systems. | Zhi Deng Chi Chen Xiang-Guo Li Shyue Ping Ong | 2019 | npj Computational Materials2019，，1： | 11 |
| 8 | CHEMICAL BEHAVIOR OF CERIUM ELEMENT IN ROCK WEATHERING SYSTEM显示文摘1INTRODUCTIONTheelectronicstructureofgroundstateatomceriumisXe4f15d16s2,andtheelectronicstructureoftrivalentoxidizingstateisX... | Chi, Ru'an Zhu, Guocai Zhang, Ping Xu, Yinghui | 1999 | 中国有色金属学会会刊:英文版1999，9，1： | 10 |
| 9 | Recent advances and applications of deep learning methods in materials science显示文摘Deep learning(DL)is one of the fastest-growing topics in materials data science,with rapidly emerging applications spanning atomistic,image-based,spectral,and textual data modalities.DL allows analysis of unstructured data and automated identification of features.The recent development of large materials databases has fueled the application of DL methods in atomistic prediction in particular.In contrast,advances in image and spectral data have largely leveraged synthetic data enabled by high-quality forward models as well as by generative unsupervised DL methods.In this article,we present a high-level overview of deep learning methods followed by a detailed discussion of recent developments of deep learning in atomistic simulation,materials imaging,spectral analysis,and natural language processing.For each modality we discuss applications involving both theoretical and experimental data,typical modeling approaches with their strengths and limitations,and relevant publicly available software and datasets.We conclude the review with a discussion of recent cross-cutting work related to uncertainty quantification in this field and a brief perspective on limitations,challenges,and potential growth areas for DL methods in materials science. | Kamal Choudhary Brian DeCost Chi Chen Anubhav Jain Francesca Tavazza Ryan Cohn Cheol Woo Park Alok Choudhary Ankit Agrawal Simon J.L.Billinge Elizabeth Holm Shyue Ping Ong Chris Wolverton | 2022 | npj Computational Materials2022，，1： | 9 |
| 10 | Untreated Prior Pulmonary Tuberculosis Adversely Affects Pregnancy Outcomes in Infertile Women Undergoing in vitro Fertilization and Embryo Transfer: A Large Retrospective Cohort Study显示文摘Objective Prior pulmonary tuberculosis(PTB) on chest X-ray(CXR) was commonly found in infertile patients receiving examinations before in vitro fertilization and embryo transfer(IVF-ET). It was unclear whether untreated PTB would affect pregnancy outcomes after IVF-ET.Method We conducted a retrospective cohort study of 14,254 infertile patients who had received IVFET at Peking University Third Hospital in 2017. Prior PTB was defined as the presence of signs suggestive of old or inactive PTB on CXR, with or without a clinical TB history. Patients who had prior PTB on CXR but had not received a clinical diagnosis and anti-TB therapy were included for analysis. Live birth,clinical pregnancy, and miscarriage rates were compared between the untreated PTB and non-PTB groups.Results The untreated PTB group had significantly lower clinical pregnancy(31.7% vs. 38.1%) and live birth(23.8% vs. 30.6%) rates than the non-PTB group(both P < 0.001). Multivariate analysis revealed that untreated PTB was a risk factor for decreased live birth rate [odds ratio(OR), 0.80;95% confidence interval(CI), 0.66–0.98;P = 0.028] in all patients and for increased miscarriage(OR, 4.19;95% CI,1.69–10.39;P = 0.002) and decreased live birth(OR, 0.45;95% CI, 0.24–0.83;P = 0.011) rates in patients with unexplained infertility.Conclusions Untreated PTB was associated with adverse pregnancy outcomes after IVF-ET, especially in patients with unexplained infertility, highlighting the clinical significance of PTB in this specific patient population. | GAI Xiao Yan CHI Hong Bin ZENG Lin CAO Wen Li CHEN Li Xue ZHANG Chen LU Ming NING Lan Ding CHANG Chun ZHANG Wei Xia LIU Ping LI Rong SUN Yong Chang QIAO Jie | 2021 | Biomedical and Environmental Sciences2021，34，2： | 6 |
| 11 | Adsorption-oxidation of hydrogen sulfide on Fe/walnut-shell activated carbon surface modified by NH_3-plasma显示文摘Walnut-shell activated carbon(WSAC) supported ferric oxide was modified by non-thermal plasma(NTP), and the removal efficiency for hydrogen sulfide over Fe/WSAC modified by dielectric barrier discharge(DBD) was significantly promoted. The sample modified for10 min and 6.8 k V output(30 V input voltage) maintained 100% H2 S conversion over a long reaction time of 390 min. The surface properties of adsorbents modified by NTP under different conditions were evaluated by the methods of X-ray photoelectron spectroscopy(XPS), Brunauer–Emmett–Teller(BET) analysis and in-situ Fourier transform infrared spectroscopy(FTIR), to help understand the effect of the NTP treatment. NTP treatment enhanced the adsorption capacity of Fe/WSAC, which could due to the formation of micro-pores with sizes of0.4, 0.5 and 0.75 nm. XPS revealed that chemisorbed oxygen changed into lattice oxygen after NTP treatment, and lattice oxygen is beneficial for H2 S oxidation. From the in-situ FTIR result,transformation of the reaction path on Fe/WSAC was observed after NTP modification. The research results indicate that NTP is an effective method to improve the surface properties of the Fe/WSAC catalyst for H2 S adsorption-oxidation. | Ping Ning Sijian Liu Chi Wang Kai Li Xin Sun Lihong Tang Gui Liu | 2018 | Journal of Environmental Sciences2018，30，2： | 5 |
| 12 | Exposure Effects of Terahertz Waves on Primary Neurons and Neuron-like Cells Under Nonthermal Conditions显示文摘Objective This study aimed to explore the potential effects of terahertz(THz) waves on primary cultured neurons from 4 rat brain regions(hippocampus, cerebral cortex, cerebellum, and brainstem)and 3 kinds of neuron-like cells(MN9 D, PC12, and HT22 cells) under nonthermal conditions.Methods THz waves with an output power of 50(0.16 THz) and 10(0.17 THz) m W with exposure times of 6 and 60 min were used in this study. Analysis of temperature change, neurite growth, cell membrane roughness, micromorphology, neurotransmitters and synaptic-related proteins(SYN and PSD95) was used to evaluate the potential effects.Results Temperature increase caused by the THz wave was negligible. THz waves induced significant neurotransmitter changes in primary hippocampal, cerebellar, and brainstem neurons and in MN9 D and PC12 cells. THz wave downregulated SYN expression in primary hippocampal neurons and downregulated PSD95 expression in primary cortical neurons.Conclusion Different types of cells responded differently after THz wave exposure, and primary hippocampal and cortical neurons and MN9 D cells were relatively sensitive to the THz waves. The biological effects were positively correlated with the exposure time of the THz waves. | TAN Sheng Zhi TAN Peng Cheng LUO Lan Qing CHI Yun Liang YANG Zi Long ZHAO Xue Long ZHAO Li DONG Ji ZHANG Jing YAO Bin Wei XU Xin Ping TIAN Guang CHEN Jian Kui WANG Hui PENG Rui Yun | 2019 | Biomedical and Environmental Sciences2019，32，10： | 5 |
| 13 | 路堤荷载下混凝土芯水泥土搅拌桩工作特性研究(英文)显示文摘研究目的:研究混凝土芯水泥土搅拌桩在路堤荷载下的荷载传递规律和变形控制机理。创新要点:评价路堤荷载下混凝土芯水泥土搅拌桩的地基处理效果,测量混凝土芯的竖向应力变化规律和复合地基桩土荷载分担特点,并分析填土过程中混凝土芯水泥土搅拌桩复合地基的固结规律。研究方法:通过埋设沉降板、分层沉降管、测斜管、土压力盒、孔隙水压力计以及钢筋应力计,在路堤填筑过程中对混凝土芯水泥土搅拌桩复合地基进行了长期现场试验。重要结论:1.混凝土芯水泥土搅拌桩复合地基的总沉降、工后沉降以及深层水平位移控制效果均较好,优于普通水泥土搅拌桩复合地基;2.混凝土芯水泥土搅拌桩复合地基的桩土应力比以及荷载分担比均大于普通水泥土搅拌桩复合地基,能有效减小土体表面的荷载量,对于控制沉降有一定的效果。3.在路堤这种柔性荷载作用下,混凝土芯水泥土搅拌桩上部会出现一定的负摩擦阻力,存在一个'中性点'。4.混凝土芯水泥土搅拌桩复合地基的固结速率较快,能有效控制由于主固结引起的长期沉降。 | Chi WANG Yong-fu XU Ping DONG | 2014 | Journal of Zhejiang University-Science A(Applied Physics & Engineering)2014，15，6： | 5 |
| 14 | Nosocomial Infection Surveillance in a Tuberculosis Specialized Hospital in China显示文摘Nosocomial infections(NIs) are a critical issue affecting the quality of healthcare. In this study, we performed a retrospective study to explore the incidence rates, mortality rates, and microbial spectrum of NIs in Beijing Chest Hospital, a tuberculosis(TB) specialized hospital in China. Our data demonstrate that the overall incidence rate of inpatients with NIs slightly decreased from 2012 to 2016, which may be associated with the implementation of hand hygiene measures, while the mortality rates associated with NI did not significantly change. In addition, the species distribution of NIs was quite different from that presented in previous reports, and Klebsiella pneumoniae was the most frequently isolated microorganism. | XIE Zhong Yao HUANG Guo Fang GAO Hui CHI Yu Qing WANG Yan Xia PANG Yu WANG Jing Ping | 2017 | Biomedical and Environmental Sciences2017，30，9： | 5 |
| 15 | Comparison of physiological responses to oxidative and heavy metal stress in seedlings of rice paddy, Oryza sativa L.显示文摘Physiological responses on the bases of activities of antioxidant enzymes: peroxidase, catalase, superoxide dismutase and glutathione reductase as well as estimation of total protein, lipid peroxidation and thiols in the form of protein, non\|protein, glutathione and phytochelatin measured in growing seedlings of paddy, Oryza sativa L., from day 2 to 8 were compared following treatment of seeds for 5h with oxidative agents, paraquat 5 × 10 -5 , 10 -4 , 10 -3 mol/L, H 2O 2 10 -3 , 5×10 -3 , 10 -2 mol/L, and CdCl 2 10 -5 , 10 -4 , 5×10 -3 mol/L. A significant induction of all antioxidant enzymes along with an increase in the levels of protein, lipid peroxidation and glutathione was noted in response to oxidative stress, CdCl 2 induced significant peroxidase and catalase activities but not superoxide dismutase. In a marked contrast from oxidative stress, CdCl 2 decreased glutathione reductase activity as well as glutathione levels but increased phytochelatin level. The different physiological responses thus underlined the crucial involvement of glutathione and phytochelatin in the oxidative and heavy metal\|linduced adaptive responses respectively. | YU Guo\|ying, WANG Guo\|ping, HE Chi\|quan (Lab for Wetland Process and Environment, Changchun Institute of Geography, The Chinese Academy of Sciences, Changchun 130021,China E\|mail: yuguoying@mail.ccig.ac.cn) | 2000 | Journal of Environmental Sciences2000，12，4： | 5 |
| 16 | Near-resonance enhanced label-free stimulated Raman scattering microscopy with spatial resolution near 130 nm显示文摘High-resolution optical microscopes that can break 180 nm in spatial resolution set to conventional microscopies are much-needed tools.However,current optical microscopes have to rely on exogenous fluorescent labels to achieve high resolution in biological imaging.Herein,we report near-resonance enhanced label-free stimulated Raman scattering(SRS)microscopy with a lateral resolution near 130 nm,in which the high-resolution image contrast originates directly from a low concentration of endogenous biomolecules,with sensitivity gains of approximately 23 times.Moreover,by using a 0.3-m-long optical fiber,we developed hyperspectral SRS microscopy based on spectral focusing technology.Attributed to enhancements in spatial resolution and sensitivity,we demonstrated highresolution imaging of three-dimensional structures in single cells and high-resolution mapping of large-scale intact mouse brain tissues in situ.By using enhanced high-resolution hyperspectral SRS,we chemically observed sphingomyelin distributed in the myelin sheath that insulates single axons.Our concept opens the door to biomedical imaging with~130 nm resolution. | Yali Bi Chi Yang Yage Chen Shuai Yan Guang Yang Yaozu Wu Guoping Zhang Ping Wang | 2018 | Light(Science & Applications)2018，7，1： | 4 |
| 17 | Complex strengthening mechanisms in the NbMoTaW multiprincipal element alloy显示文摘Refractory multi-principal element alloys(MPEAs)have exceptional mechanical properties,including high strength-to-weight ratio and fracture toughness,at high temperatures.Here we elucidate the complex interplay between segregation,short-range order,and strengthening in the NbMoTaW MPEA through atomistic simulations with a highly accurate machine learning interatomic potential.In the single crystal MPEA,we find greatly reduced anisotropy in the critically resolved shear stress between screw and edge dislocations compared to the elemental metals.In the polycrystalline MPEA,we demonstrate that thermodynamically driven Nb segregation to the grain boundaries(GBs)and W enrichment within the grains intensifies the observed short-range order(SRO).The increased GB stability due to Nb enrichment reduces the von Mises strain,resulting in higher strength than a random solid solution MPEA.These results highlight the need to simultaneously tune GB composition and bulk SRO to tailor the mechanical properties of MPEAs. | Xiang-Guo Li Chi Chen Hui Zheng Yunxing Zuo Shyue Ping Ong | 2020 | npj Computational Materials2020，，1： | 4 |
| 18 | Super solar particle event around AD775 was found显示文摘A rapid radiocarbon14C increase of 120/00in AD774–775 has been reported in cedar and oak tree rings.So far,the origin of the14C increase is still uncertain and the possible origin is either supernova or solar particle event.The most possible origin of14C increase is strong solar flares and Coronal Mass Ejections(CMEs)with strong particles emission.Comprehensive approaches to identify the strong historical solar particle events based on the rapid14C/10Be increase in tree/coral rings and ice cores,long duration strong auroras and geomagnetic storms are introduced.Evidence of the super auroras in AD775 was first found in a Chinese Chronicles Jiutangshu and it supports the views that the rapid14C increase and strong auroras around AD775 are most possibly caused by strong solar storms with intense particles emission.It was identified that the solar event around AD775 would be the strongest solar particle event in the past 11400 years.The discovery is significant for the research on the history of solar activities,space weather and forecast,radiation of solar energetic particles and protection. | Dazhuang Zhou Chi Wang Binquan Zhang Shenyi Zhang Ping Zhou Yueqiang Sun Jinbao Liang Guangwu Zhu Ji Wu | 2014 | Chinese Science Bulletin2014，59，22： | 4 |
| 19 | Automated generation and ensemble-learned matching of X-ray absorption spectra显示文摘X-ray absorption spectroscopy(XAS)is a widely used materials characterization technique to determine oxidation states,coordination environment,and other local atomic structure information.Analysis of XAS relies on comparison of measured spectra to reliable reference spectra.However,existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry coverage.In this work,we report the development of XASdb,a large database of computed reference XAS,and an Ensemble-Learned Spectra IdEntification(ELSIE)algorithm for the matching of spectra.XASdb currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra(XANES)for over 40,000 materials from the open-science Materials Project database.We discuss a high-throughput automation framework for FEFF calculations,built on robust,rigorously benchmarked parameters.FEFF is a computer program uses a real-space Green’s function approach to calculate X-ray absorption spectra.We will demonstrate that the ELSIE algorithm,which combines 33 weak“learners”comprising a set of preprocessing steps and a similarity metric,can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal structures.The XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Project,providing an important new public resource for the analysis of XAS to all materials researchers.Finally,the ELSIE algorithm itself has been made available as part of veidt,an open source machine-learning library for materials science. | Chen Zheng Kiran Mathew Chi Chen Yiming Chen Hanmei Tang Alan Dozier Joshua J.Kas Fernando D.Vila John J.Rehr Louis F.J.Piper Kristin A.Persson Shyue Ping Ong | 2018 | npj Computational Materials2018，，1： | 3 |
| 20 | Surface characterization of metal oxides-supported activated carbon fiber catalysts for simultaneous catalytic hydrolysis of carbonyl sulfide and carbon disulfide显示文摘The sol–gel method was used to synthesize a series of metal oxides-supported activated carbon fiber (ACF) and the simultaneous catalytic hydrolysis activity of carbonyl sulfide (COS)and carbon disulfide (CS2) at relatively low temperatures of 60°C was tested.The effects of preparation conditions on the catalyst properties were investigated,including the kinds and amount of metal oxides and calcination temperatures.The activity tests indicated that catalysts with 5 wt.%Ni after calcining at 400°C (Ni(5)/ACF(400)) had the best performance for the simultaneous catalytic hydrolysis of COS and CS2.The surface and structure properties of prepared ACF were characterized by scanning electron microscope-energy disperse spectroscopy (SEM-EDS),Brunauer–Emmett–Teller (BET),X-ray diffraction (XRD),carbon dioxidetemperature programmed desorption (CO2-TPD) and diffuse reflectance Fourier transform infrared reflection (DRFTIR).And the metal cation defects were researched by electron paramagnetic resonance (EPR) method.The characterization results showed that the supporting of Ni on the ACF made the ACF catalyst show alkaline and increased the specific surface area and the number of micropores,then improved catalytic hydrolysis activity.The DRFTIR results revealed that-OH species could facilitate the hydrolysis of COS and CS2;-COO and-C–O species could facilitate the oxidation of catalytic hydrolysate H2S.And the EPR results showed that high calcination temperature conditions provide more active reaction center for the COS and CS2 adsorption. | Kunlin Li Chi Wang Ping Ning Kai Li Xin Sun Xin Song Yi Mei | 2020 | Journal of Environmental Sciences2020，32，10： | 3 |
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