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1Risk factors for progression to acute-on-chronic liver failure during severe acute exacerbation of chronic hepatitis B virus infection显示文摘BACKGROUND Acute exacerbation in patients with chronic hepatitis B virus(HBV) infection results in different severities of liver injury. The risk factors related to progression to hepatic decompensation(HD) and acute-on-chronic liver failure(ACLF) in patients with severe acute exacerbation(SAE) of chronic HBV infection remain unknown.AIM To identify risk factors related to progression to HD and ACLF in compensated patients with SAE of chronic HBV infection.METHODS The baseline characteristics of 164 patients with SAE of chronic HBV infection were retrospectively reviewed. Independent risk factors associated with progression to HD and ACLF were identified. The predictive values of our previously established prediction model in patients with acute exacerbation(AE model) and the model for end-stage liver disease(MELD) score in predicting the development of ACLF were evaluated.RESULTS Among 164 patients with SAE, 83(50.6%) had compensated liver cirrhosis(LC),43 had progression to HD without ACLF, and 29 had progression to ACLF within 28 d after admission. Independent risk factors associated with progression to HD were LC and low alanine aminotransferase. Independent risk factors for progression to ACLF were LC, high MELD score, high aspartate aminotransferase(AST) levels, and low prothrombin activity(PTA). The area under the receiver operating characteristic of the AE model [0.844, 95%confidence interval(CI): 0.779-0.896] was significantly higher than that of MELD score(0.690, 95%CI: 0.613-0.760, P < 0.05) in predicting the development of ACLF.CONCLUSION In patients with SAE of chronic HBV infection, LC is an independent risk factor for progression to both HD and ACLF. High MELD score, high AST, and low PTA are associated with progression to ACLF. The AE model is a better predictor of ACLF development in patients with SAE than MELD score.Ling Yuan Bai-Mei Zeng Lu-Lu Liu Yi Ren Yan-Qing Yang Jun Chu Ying Li Fang-Wan Yang Yi-Huai He Shi-De Lin 2019World Journal of Gastroenterology2019,25,19:13
2Uncertainty analysis of hydrological model parameters based on the bootstrap method:A case study of the SWAT model applied to the Dongliao River Watershed,Jilin Province,Northeastern China显示文摘As an important tool for the description and analysis of hydrological processes,the watershed hydrological model has been increasingly applied to watershed hydrological simulations and water resource management.However,in most cases,model parameters are only determined in a calibration scheme which fits the modeled data to observations,thus significant uncertainties exist in the model parameters.How to quantitatively evaluate the uncertainties in model parameters and the resulting uncertainty impacts on model simulations has always been a question which has attracted much attention.In this study,two methods based on the bootstrap method(specifically,the model-based bootstrap and block bootstrap)are used to analyze the parameter uncertainties in the case of the SWAT(Soil and Water Assessment Tool)model applied to a hydrological simulation of the Dongliao River Watershed.Then,the uncertainty ranges of five sensitivity parameters are obtained.The calculated variation coefficients and the variable parameter contributions show that,among the five parameters,ESCO and CN2 have relatively high uncertainties:the variation coefficients and contribution rates are 23.98 and 70%,14.43 and 18%,respectively.The three remaining parameters have relatively low uncertainties.We compare the two uncertainty ranges of parameters acquired by the two bootstrap methods,and find that the uncertainty ranges of parameters acquired by the block bootstrap are narrower than those acquired by the model-based bootstrap.Further analysis of the effects of parameter uncertainties on the model simulation reveals that the parameter uncertainties have great impacts on results of the model simulation,and in the model calibration stage 60%70%of runoff observations were within the corresponding 95%confidence interval.The uncertainty in the model simulation during the flood season(i.e.the wet period)is relatively higher than that during the dry season.ZHANG Zheng LU WenXi CHU HaiBo CHENG WeiGuo ZHAO Ying 2014Science China(Technological Sciences)2014,57,1:9
3Analysis of genetic architecture and favorable allele usage of agronomic traits in a large collection of Chinese rice accessions显示文摘Genotyping and phenotyping large natural populations provide opportunities for population genomic analysis and genome-wide association studies(GWAS). Several rice populations have been re-sequenced in the past decade;however, many major Chinese rice cultivars were not included in these studies. Here, we report large-scale genomic and phenotypic datasets for a collection mainly comprised of 1,275 rice accessions of widely planted cultivars and parental hybrid rice lines from China. The population was divided into three indica/Xian and three japonica/Geng phylogenetic subgroups that correlate strongly with their geographic or breeding origins. We acquired a total of 146 phenotypic datasets for 29 agronomic traits under multi-environments for different subpopulations. With GWAS, we identified a total of 143 significant association loci, including three newly identified candidate genes or alleles that control heading date or amylose content. Our genotypic analysis of agronomically important genes in the population revealed that many favorable alleles are underused in elite accessions, suggesting they may be used to provide improvements in future breeding efforts. Our study provides useful resources for rice genetics research and breeding.Xiuxiu Li Zhuo Chen Guomin Zhang Hongwei Lu Peng Qin Ming Qi Ying Yu Bingke Jiao Xianfeng Zhao Qiang Gao Hao Wang Yunyu Wu Juntao Ma Liyan Zhang Yongli Wang Lingwei Deng Shanguo Yao Zhukuang Cheng Diqiu Yu Lihuang Zhu Yongbiao Xue Chengcai Chu Aihong Li Shigui Li Chengzhi Liang 2020Science China(Life Sciences)2020,63,11:8
4The Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST)显示文摘The Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST, also called the Guo Shou Jing Telescope) is a special reflecting Schmidt telescope. LAMOST's special design allows both a large aperture (effective aperture of 3.6 m-4.9 m) and a wide field of view (FOV) (5°). It has an innovative active reflecting Schmidt configuration which continuously changes the mirror's surface that adjusts during the observation process and combines thin deformable mirror active optics with segmented active optics. Its primary mirror (6.67m×6.05 m) and active Schmidt mirror (5.74m×4.40 m) are both segmented, and composed of 37 and 24 hexagonal sub-mirrors respectively. By using a parallel controllable fiber positioning technique, the focal surface of 1.75 m in diameter can accommodate 4000 optical fibers. Also, LAMOST has 16 spectrographs with 32 CCD cameras. LAMOST will be the telescope with the highest rate of spectral acquisition. As a national large scientific project, the LAMOST project was formally proposed in 1996, and approved by the Chinese government in 1997. The construction started in 2001, was completed in 2008 and passed the official acceptance in June 2009. The LAMOST pilot survey was started in October 2011 and the spectroscopic survey will launch in September 2012. Up to now, LAMOST has released more than 480 000 spectra of objects. LAMOST will make an important contribution to the study of the large-scale structure of the Universe, structure and evolution of the Galaxy, and cross-identification of multiwaveband properties in celestial objects.Xiang-Qun Cui Yong-Heng Zhao Yao-Quan Chu Guo-Ping Li Qi Li Li-Ping Zhang Hong-Jun Su Zheng-Qiu Yao Ya-Nan Wang Xiao-Zheng Xing Xin-Nan Li Yong-Tian Zhu Gang Wang Bo-Zhong Gu A-Li Luo Xin-Qi Xu Zhen-Chao Zhang Gen-Rong Liu Hao-Tong Zhang De-Hua Yang Shu-Yun Cao Hai-Yuan Chen Jian-Jun Chen Kun-Xin Chen Ying Chen Jia-Ru Chu Lei Feng Xue-Fei Gong Yong-Hui Hou Hong-Zhuan Hu Ning-Sheng Hu Zhong-Wen Hu Lei Jia Fang-Hua Jiang Xiang Jiang Zi-Bo Jiang Ge Jin Ai-Hua Li Yan Li Ye-Ping Li Guan-QunLiu Zhi-Gang Liu Huo-Ming Shi Zheng-Hong Tang Qing-Sheng Tao Xiang-Yan Yuan Chao Zhai Jing Zhang Yan-Xia Zhang Yong Zhang Ming Zhao Fang Zhou Guo-Hua Zhou Jie Zhu Si-Cheng Zou 2012Research in Astronomy and Astrophysics2012,12,9:8
5Theoretical insight into the enhanced CH_4 desorption via H_2O adsorption on different rank coal surfaces显示文摘The density functional theory was used to investigate the adsorption of CH_4 and H_2O on different rank coal surfaces.The coal rank is the dominant factor in affecting the adsorption capacity of coal.In order to better understand gas and water interaction with coal of different maturity,we developed fourteen coal models to represent the different rank coal.The interactions of CH_4 and H_2O with coal surfaces were studied and characterized by their adsorption energies,Mulliken charges and electrostatic potential surfaces.The results revealed that the interaction between coal and CH_4 was weak physical adsorption,and that the interaction between coal and H_2 O consisted of physical and chemical adsorption.Adsorption energy of coal–H_2O system was larger than that of coal–CH_4 on all rank coals,suggesting that the adsorption priority in the coal models is H_2 O > CH_4.Consequently,the injection of H_2 O into the different rank coal could effectively enhance the coal bed methane(CBM) recovery.Yanan Zhou Wenjing Sun Wei Chu Xiaoqiang Liu Fangli Jing Ying Xue 2016Journal of Energy Chemistry2016,25,4:8
6Molecular Characterization and Correlation with β-lactam Resistance of Streptococcus pneumonia Isolates in Hangzhou,China显示文摘Penicillin-binding proteins(PBPs) are the target of β-lactam antibiotics(the major treatment for Streptococcus pneumoniae infections),and mutations in PBPs are considered as a primary mechanism for the development of β-lactam resistance in S.pneumoniae.This study was conducted to investigate the mutations in the PBPs of clinical S.pneumoniae isolates in Hangzhou,China,in correlation with β-lactam resistance.Results showed that 19 F was the predominant serotype(7/27) and 14 of the S.pneumoniae isolates were resistant to both penicillin G and cephalosporin.Genotyping results suggested that β-lactam-resistant isolates primarily exhibited single-site mutations in both the STMK and SRNVP motifs of pbp1 a in combination with double-site mutations in the STMK motif of pbp2 x,which might be the primary mechanisms underlying the β-lactam resistance of the isolates in this study.chu mei fen liu xiao xiang zhang shao ni huang yan ying du peng wang li fang ji lei yan jie sun ai hua 2018Biomedical and Environmental Sciences2018,31,5:7
7Study of the tolerance of Hippochaete ramosissimum to Cu stress显示文摘We investigated the tolerance of Hippochaete ramosissimum and the changes in physiological metabolism following exposure to copper using pot experiments and analyzing plant physiology and biochemistry. The results showed that Cu tolerance in Hippochaete ramosissimum varied significantly between different populations; the tolerance of plants living in Cu polluted areas for extended periods of time exceeded that of plants living in unpolluted areas.SOD and POD activities in highly Cu tolerant plants increased noticeably following exposure to Cu. This indicates that maintaining and increasing the two kinds of protective enzyme activities are the primary foundations of plant tolerance. However, no change in CAT activity was demonstrated following Cu exposure. In summary, there existed considerable differences in physiological metabolism between different populations of Hippochaete ramosissimum following exposure to Cu.LIU Dengyi, LI Ying, CHU Ling, WANG Guanglin & WANG Lilong Biodiversity Research Center, Anhui Normal University, Wuhu 241000, China The Provincial Key Laboratory of Conservation and Exploitation of Biological Resources in Anhui, Wuhu 241000, China 2005Science China(Life Sciences)2005,48,z1:7
8Nitrogen-doped graphene supported Pd@PdO core- shell clusters for C-C coupling reactions显示文摘Baojiang Jiang Sanzhao Song Jianqiang Wang Ying Xie Wenyi Chu Hongfeng Li Hui Xu Chungui Tian Honggang Fu 2014Nano Research2014,7,9:7
9A Local Cluster of Omicron Variant COVID-19 Likely Caused by Internationally Mailed Document——Beijing Municipality,China,January 2022显示文摘On January 15,2022,a 26 years old female(Case A)went to a sampling site for coronavirus disease 2019(COVID-19)testing due to excessive fatigue and fever for two days.This patient preliminarily tested positive for severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)using a quantitative real-time reverse transcription polymerase chain reaction(qRT-PCR)method.Daitao Zhang Shuangsheng Wu Zhenyong Ren Ying Sun Xiangfeng Dou Zhaomin Feng Fu Li Yi Tian Shujuan Cui Baiwei Liu Bing Lyu Xiaoli Wang Feng Liu Lina Jin Chu Jiang Lina Tian Zhenjiang Xin Zhichao Liang Lei Jia Quanyi Wang Yang Pan Peng Yang 2022China CDC weekly2022,4,14:6
10The Lyman-alpha Solar Telescope(LST) for the ASO-S mission——Ⅱ. design of LST显示文摘As one of the three payloads for the Advanced Space-based Solar Observatory(ASO-S)mission,the Lyman-alpha(Lyα)Solar Telescope(LST)is composed of three instruments:a Solar Corona Imager(SCI),a LyαSolar Disk Imager(SDI)and a full-disk White-light Solar Telescope(WST).When working in-orbit,LST will simultaneously perform high-resolution imaging observations of all regions from the solar disk to the inner corona up to 2.5 R⊙(R⊙stands for the mean solar radius)with a spatial resolution of 4.8′′and 1.2′′for coronal and disk observations,respectively,and a temporal resolution of 30–120 s and 1–120 s for coronal and disk observations,respectively.The maximum exposure time can be up to20 s due to precise pointing and image stabilization function.Among the three telescopes of LST,SCI is a dual-waveband coronagraph simultaneously and independently observing the inner corona in the HI Lyα(121.6±10 nm)line and white light(WL)(700±40 nm)wavebands by using a narrowband Lyαbeam splitter and has a field of view(FOV)from 1.1 to 2.5 R⊙.The stray-light suppression level can attain<10^-6 B⊙(B⊙is the mean brightness of the solar disk)at 1.1 R⊙and≤5×10^-8 B⊙at 2.5 R⊙.SDI and WST are solar disk imagers working in the Lyαline and 360.0 nm wavebands,respectively,which adopt an off-axis two-mirror reflective structure with an FOV up to 1.2 R⊙,covering the inner coronal edge area and relating to coronal imaging.We present the up-to-date design for the LST payload.Bo Chen Hui Li Ke-Fei Song Quan-Feng Guo Pei-Jie Zhang Ling-Ping He Shuang Dai Xiao-Dong Wang Hai-Feng Wang Chun-Long Liu Hong-Ji Zhang Guang Zhang Yunqi Wang Shi-Jie Liu Hong-Xin Zhang Lei Liu Shi-Lei Mao Yang Liu Jia-Hao Peng Peng Wang Liang Sun Yang Liu Zhen-Wei Han Yan-Long Wang Kun Wu Guang-Xing Ding Peng Zhou Xin Zheng Ming-Yi Xia Qing-Wen Wu Jin-Jiang Xie Ya Chen Shu-Mei Song Hong Wang Bo Zhu Chang-Bo Chu Wen-Gang Yang Li Feng Yu Huang Wei-Qun Gan Ying Li Jing-Wei Li Lei Lu Jian-Chao Xue Bei-Li Ying Ming-Zhe Sun Cheng Zhu Wei-Min Bao Lei Deng Zeng-Shan Yin 2019Research in Astronomy and Astrophysics2019,19,11:6
11Bacterial Particle Swarm Optimization显示文摘JI Zhen WANG Yiwei CHU Ying WU Qinghua 2009Chinese Journal of Electronics2009,18,2:5
12Proliposomes for oral delivery of dehydrosilymarin: preparation and evaluation in vitro and in vivo显示文摘目的: 改进 dehydrosilymarin 的口头的 bioavailability 的大豆 phospholipids,胆固醇, isopropyl 十四酸盐和钠 cholate 创作了与一个多相的驱散的系统提出 proliposomes,草药的药 silymarin 的一种氧化形式。Chang CHU Shan-shan TONG Ying XU Li WANG Min FU Yan-ru GE Jiang-nan YU Xi-ming XU 2011Acta Pharmacologica Sinica2011,32,7:5
13HYD-PEP06 suppresses hepatocellular carcinoma metastasis,epithelial-mesenchymal transition and cancer stem cell-like properties by inhibiting PI3K/AKT and WNT/β-catenin signaling activation显示文摘HYD-PEP06,an endostatin-modified polypeptide,has been shown to produce effective anticolorectal carcinoma effects through inhibiting epithelial-mesenchymal transition(EMT).However,whether HYD-PEP06 has similar suppressive effect on hepatocellular carcinoma(HCC) remained unknown.In this study,HYD-PEP06 inhibited metastasis and EMT but not proliferation in vitro.Cignal finder pathway reporter array and Western blot analysis revealed that HYD-PEP06 suppressed HCCLM3 cell metastasis and EMT by inhibiting the PI3 K/AKT pathway.Moreover,HYD-PEP06 exerted antimetastasis effects in HepG2 cancer stem-like cells(CSCs) via suppressing the WNT/β-catenin signaling pathway.Finally,in HCCLM3 tumor-bearing BALB/c nu/nu nude mice,HYD-PEP06 substantially suppressed tumor growth,lung metastasis and HCC progress.Our results suggest that HYD-PEP06 inhibits the metastasis and EMT of HCC and CSCs as well,and thus has the potential as an agent for HCC treatment.Wei Tian Jiatong Li Zhuo Wang Tong Zhang Ying Han Yanyan Liu Wenfeng Chu Yu Liu Baofeng Yang 2021Acta Pharmaceutica Sinica B2021,11,6:5
14BFA BASED NEURAL NETWORK FOR IMAGE COMPRESSION显示文摘A novel Bacterial Foraging Algorithm (BFA) based neural network is presented for image compression. To improve the quality of the decompressed images, the concepts of reproduction, elimination and dispersal in BFA are firstly introduced into neural network in the proposed algorithm. Extensive experiments are conducted on standard testing images and the results show that the pro- posed method can improve the quality of the reconstructed images significantly.Chu Ying Mi Hua Ji Zhen Shao Zibo Q. H. Wu 2008Journal of Electronics(China)2008,25,3:4
15DNA Polymorphisms of 5′-Flanking Region of Insulin-Like Growth Factor 1 Gene and Their Association with Reproduction Traits in Goats显示文摘Research on the identity of genes and their relationship with traits of economic importance in farm animals could assist in the selection of livestock. In this study, the polymorphisms of insulin-like growth factor 1 (IGF1) gene in 561 goats of ten breeds were detected by polymerase chain reaction (PCR)-single strand conformation polymorphism (SSCP) and their association with litter size and birth weight in three breeds were investigated. The effects of IGF1 polymorphisms on the breeding value for litter size and birth weight were examined using least square methods. Two deletions (CA) were detected in the microsatellite and two mutations (A1637G, T1640C) were found in 5′-flanking regulatory region. No significant association between the polymorphisms in 5′-flanking region of IGF1 and birth weight was found in the three breeds of goats. In Gulin Ma goats, two polymorphisms were found to affect litter size traits. In Chuandong White goats and Guizhou White goats, no significant difference (P<0.05) in litter size between goats carrying different genotypes was observed. Further evaluation and confirmation studies in more goat populations with larger sample sizes are necessary.WANG Ping-qing TAN Ying ZHANG Bao-yun CHU Ming-xing DENG La-mei FAN Qi LIUChong-xu 2011Agricultural Sciences in China2011,10,10:4
16Comparison of diagnostic validity of two autism rating scales for suspected autism in a large Chinese sample显示文摘BACKGROUND Autism is the most common clinical developmental disorder in children.The childhood autism rating scale(CARS)and autistic autism behavior checklist(ABC)are the most commonly used assessment scales for diagnosing autism.However,the diagnostic validations and the corresponding cutoffs for CARS and ABC in individuals with suspected autism spectrum disorder(ASD)remain unclear.Furthermore,for suspected ASD in China,it remains unclear whether CARS is a better diagnostic tool than ABC.Also unclear is whether the current cutoff points for ABC and CARS are suitable for the accurate diagnosis of ASD.AIM To investigate the diagnostic validity of CARS and ABC based on a large Chinese sample.METHODS A total of 591 outpatient children from the ASD Unit at Beijing Children’s Hospital between June and November 2019 were identified.First,the Clancy autism behavior scale(CABS)was used to screen out suspected autism from these children.Then,each suspected ASD was evaluated by CARS and ABC.Receiver operating characteristic(ROC)curve analysis was used to compare diagnostic validations.We also calculated the area under the curve(AUC)for both CARS and ABC.RESULTS We found that the Cronbach alpha coefficients of CARS and ABC were 0.772 and 0.426,respectively.Therefore,the reliability of the CARS was higher than that of the ABC.In addition,we found that the correlation between CARS and CABS was 0.732.Next,we performed ROC curve analysis for CARS and ABC,which yielded AUC values of 0.846 and 0.768,respectively.The cutoff value,which is associated with the maximum Youden index,is usually applied as a decision threshold.We found that the cutoff values of CARS and ABC were 34 and 67,respectively.CONCLUSION This result indicated that CARS is superior to ABC in the Chinese population with suspected ASD.Jia-Hui Chu Fang Bian Rui-Ying Yan Yan-Lin Li Yong-Hua Cui Ying Li 2022World Journal of Clinical Cases2022,10,4:4
17Emergence of target waves in neuronal networks due to diverse forcing currents显示文摘The electric activities of neurons could be changed when ion channel block occurs in the neurons.External forcing currents with diversity are imposed on the regular network of Hodgkin-Huxley(HH) neuron,and target waves are induced to occupy the network.The forcing current I1 is imposed on neurons in a local region with m 0 ×m 0 nodes in the network,neurons in other nodes are imposed with another forcing current I2.Target wave could be developed to occupy the network when the gradient forcing current(I1-I2) exceeds certain threshold,and the formation of target wave is independent of the selection of boundary condition.It is also found that the developed target wave can decrease the negative effect of ion channel block and suppress the spiral wave,and thus channel noise is also considered.The potential mechanism of formation of target wave could be that the gradient forcing current(I1-I2) generates quasi-periodical signal in local area,and the propagation of quasi-periodical signal induces target-like wave due to mutual coupling among neurons in the network.MA Jun WANG ChunNi YING HePing WU Ying CHU RunTong 2013Science China(Physics,Mechanics & Astronomy)2013,56,6:4
18Biomineralized polymer matrix composites for bone tissue repair:a review显示文摘Bone defects caused by trauma, infection or bone tumor resection, are highly prevalent. A small number(5%–10%) of these injuries fail to heal due to non-union and require surgical intervention. Currently, the principal treatment options for these defects are autografts, allografts, xenografts or synthetic grafts. The main problems associated with these therapies include pain,infection and donor site morbidity. Bone tissue engineering is a diverse field that focuses on the regeneration of bone by combining cells, scaffolds, growth factors and dynamic forces. There have been many recent studies utilizing biomineralized polymer matrix composites which mimic the natural structure of bone. The principal focus of this review is on recent advances in the synthesis of various types of biomineralized polymer matrix composite. Examples of the biomineralization of naturallyderived and synthetic polymers widely used for bone engineering are also summarized.Lin Zhong Ying Qu Kun Shi Bingyang Chu Minyi Lei Kangkang Huang Yingchun Gu Zhiyong Qian 2018Science China Chemistry2018,61,12:4
19Continuous and comprehensive atmospheric observations in Beijing:a station to understand the complex urban atmospheric environment显示文摘Due to profound impact on climate and human health,air quality has attracted attention from all levels of the civil society.The key step in the provision of required tools for the society to tackle the complex air quality problem is to characterize it in a comprehensive manner with a long-term perspective.Here,we describe a continuous and comprehensive observation station and its accompanying state-ofthe-art instrumentation that was established to investigate the complex urban atmospheric environment in a rapidly developing Chinese Megacity.The station,located in downtown Beijing,aims to study air quality by identifying the major atmospheric pollutants and key processes determining their formation and loss mechanisms.A few hundreds of parameters are continuously measured with the state-of-the-art instruments,including trace gas concentrations,aerosol particle size distributions,and mass concentrations,covering aerosol particle chemical composition from molecules to micrometer-sized aerosol particles.This produced long-term,comprehensive big data with around 1�10^(11)bytes per year.In this paper,we provide an overview on the facilities of the station,the instrumentation used,the workflow of continuous observations and examples of results from 2018 to 2019 and a basis for establishing a modern long-term,comprehensive atmospheric urban observation station in other megacities.Yongchun Liu Chao Yan Zemin Feng Feixue Zheng Xiaolong Fan Yusheng Zhang Chang Li Ying Zhou Zhuohui Lin Yishou Guo Ying Zhang Li Ma Wenshuo Zhou Zhikun Liu Lubna Dada Kaspar Dallenbach Jenni Kontkanen Runlong Cai Tommy Chan Biwu Chu Wei Du Lei Yao Yonghong Wang Jing Cai Juha Kangasluoma Tom Kokkonen Joni Kujansuu Anton Rusanen Chenjuan Deng Yueyun Fu Rujing Yin Xiaoxiao Li Yiqun Lu Yiliang Liu Chaofan Lian Dongsen Yang Weigang Wang Maofa Ge Yuesi Wang Douglas R.Worsnop Heikki Junninen Hong He Veli-Matti Kerminen Jun Zheng Lin Wang Jingkun Jiang Tuukka Petaja Federico Bianchi Markku Kulmala 2020Big Earth Data2020,4,3:3
20A DFT study of methane activation on graphite surfaces with vacancy defects显示文摘The activation of methane on graphite surfaces with monovacancies and 5-8-5 vacancies have been investigated using density functional theory. Sixteen different initial adsorption configurations were investigated to identify the most favorable activation site.It is found that methane tends to be activated on the defective graphite surfaces,and the most stable configuration is that methane activation happened in the center hole of the monovacancy site,with a reaction energy of 1.13 eV.Electron transfer and weaker electrostatic potential of the vacancy region indicate that carbon atom of methane tends to fill the vacancy and makes the system more stable.Fengsi Liu Wei Chu Wenjing Sun Ying Xue Qian Jiang 2012Journal of Natural Gas Chemistry2012,21,6:3
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