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Grand canonical Monte Carlo simulation study of hydrogen storage by Li-decorated pha-graphene
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作者 张蒙蒙 张凤 +7 位作者 吴强 黄欣 闫巍 赵春梅 陈伟 杨志红 王允辉 武婷婷 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第6期476-480,共5页
Grand canonical Monte Carlo simulation(GCMCs)is utilized for studying hydrogen storage gravimetric density by pha-graphene at different metal densities,temperatures and pressures.It is demonstrated that the optimum ad... Grand canonical Monte Carlo simulation(GCMCs)is utilized for studying hydrogen storage gravimetric density by pha-graphene at different metal densities,temperatures and pressures.It is demonstrated that the optimum adsorbent location for Li atoms is the center of the seven-membered ring of pha-graphene.The binding energy of Li-decorated phagraphene is larger than the cohesive energy of Li atoms,implying that Li can be distributed on the surface of pha-graphene without forming metal clusters.We fitted the force field parameters of Li and C atoms at different positions and performed GCMCs to study the absorption capacity of H_(2).The capacity of hydrogen storage was studied by the differing density of Li decoration.The maximum hydrogen storage capacity of 4Li-decorated pha-graphene was 15.88 wt%at 77 K and100 bar.The enthalpy values of adsorption at the three densities are in the ideal range of 15 kJ·mol^(-1)-25 kJ·mol^(-1).The GCMC results at different pressures and temperatures show that with the increase in Li decorative density,the hydrogen storage gravimetric ratio of pha-graphene decreases but can reach the 2025 US Department of Energy's standard(5.5 wt%).Therefore,pha-graphene is considered to be a potential hydrogen storage material. 展开更多
关键词 hydrogen storage pha-graphene grand canonical Monte Carlo simulation(GCMCs) force field
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Screening for potential biomarkers of traditional Chinese medicinechest impediment syndromesbased on plasma metabonomics
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作者 Li-yun XU Xiao-ya LUO +2 位作者 Xiao-ling SHEN Yu-yang YOU zhi-hong yang 《中国药理学与毒理学杂志》 CAS CSCD 北大核心 2018年第4期319-319,共1页
OBJECTIVE To have a systematic pathomechanism view of three chest impediment.syndromes of Qi Deficiency and Blood Stasis syndrome(QDBS),Qi Stagnation and Blood Stasis syn.drome(QSBS),Cold Obstruction and Qi Stagnation... OBJECTIVE To have a systematic pathomechanism view of three chest impediment.syndromes of Qi Deficiency and Blood Stasis syndrome(QDBS),Qi Stagnation and Blood Stasis syn.drome(QSBS),Cold Obstruction and Qi Stagnation syndrome(COQS) and further investigate the changed metabolome and related pathways for screening potential biomarkers in rat plasma.METHODS According to clinical pathogeny,three kinds of syndrome models were established to simulate the disease of chest impediment.Plasma metabonomics based on UPLC-Q-TOF/MS was applied in this research to detected small molecule metabolites for identifyingthe special potential biomarkers of three chest impediment syndromes,respectively.RESULTS Significant metabolic differences were observed between thecontrol group and three syndrome groups.Furthermore,three syndrome groups were distinguished clearly by pattern recognition method.The particular metabolites contributing most to the classification of three chest impediment syndromes were identified.In the QSBS group,the potential biomarkers could include 2-keto-glutaramic acid,L-methionine,L-homocysteic acid,octadecanamide,stearoylglycine,behenic acid,linoleylcarnitine,lysoPC(14:1(9 Z)),indoxyl sulfate and cholic acid.In the COQS group,they could be aminoadipic acid,palmitic amide,oleamide,lysoPC(P-16:0),lysoPC(P-18:0),lysoPC(20:2(11 Z,14 Z)),9-HETE and tauroursodeoxycholic acid.Moreover,4-pyridoxic acid,L-palmi.toylcarnitine,lysoPC(20:0),lysoPC(22:5(4 Z,7 Z,10 Z,13 Z,16 Z)),3-hydroxyhexadecanoic acid and arachidonic acid could be the potential biomarkers for the QDBS group.CONCLUSION Three chest impediment syndromes have their own potential biomarkers.Each special metabolite has its owndifferent metabolic pathway.Both metabolismof cysteine and methionine,and metabolism of alanine,aspartate and glutamate are the main pathways in regulation of metabolic disorders in QSBS syndrome.Lysine biosynthesis and degradation,fatty acid metabolism,and glycerophospholipid metabolism are the main pathways in regulation of metabolic disorders in COQS syndrome.Arachidonic acid metabolism,fatty acid metabolism,fatty acid elongation in mitochondria,and vitamin B6 metabolism are the main pathways in regulation of metabolic disorders in QDBS syndrome.These endogenous substances were indicated as the special potential biomarkers for three chest impediment syndromes and worth studying in depth. 展开更多
关键词 气虚血瘀 胆固醇 治疗方法 临床分析
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Preimplantation genetic testing guidelines of International Society of Reproductive Genetics
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作者 Chen-Ming Xu Si-Jia Lu +24 位作者 Song-Chang Chen Jing-Lan Zhang Cong-Jian Xu Yuan Gao Yi-Ping Shen Yun-Xia Cao Ling-Qian Wu Fan Jin Ge Lin Ping Liu Yi-Min Zhu Yan-Ting Wu Dan Zhang Bill Yee Vitaly AKushnir zhi-hong yang Jia-Yin Liu Zi-Jiang Chen Alan Thornhill Angie NBeltsos Johan Smitz John Frattarelli Alan Handyside Jie Qiao He-Feng Huang 《Reproductive and Developmental Medicine》 CAS CSCD 2023年第1期3-11,共9页
The International Society of Reproductive Genetics(ISRG)assembled a workgroup made up of clinicians,clinical laboratory directors,and scientists for the purpose of creating the guidelines for preimplantation genetic t... The International Society of Reproductive Genetics(ISRG)assembled a workgroup made up of clinicians,clinical laboratory directors,and scientists for the purpose of creating the guidelines for preimplantation genetic testing(PGT).The most up-to-date information and clinical insights for the optimal PGT practice were incorporated in these guidelines.Recommendations are provided for embryologists,medical geneticists,clinical laboratorians,and other healthcare providers to improve the wellbeing of patients seeking assisted reproductive treatment and their offspring. 展开更多
关键词 Preimplantation genetic testing GUIDELINES International Society of Reproductive Genetics(ISRG)
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Enhanced Microwave Absorption Properties of Double-Layer Absorbers Based on Spherical NiO and Co_(0.2)Ni_(0.4)Zn_(0.4)Fe_2O_4 Ferrite Composites 被引量:2
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作者 Pei-Jiang Liu Zheng-Jun Yao +3 位作者 Vincent Ming Hong Ng Jin-Tang Zhou zhi-hong yang Ling-Bing Kong 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2018年第2期171-179,共9页
Microwave absorption properties of spherical NiO particles and Co_(0.2)Ni_(0.4)Zn_(0.4)Fe_2O_4(CNZF) ferrites with single-layer and double-layer absorbers were studied in the frequency range of 2–18 GHz. The spherica... Microwave absorption properties of spherical NiO particles and Co_(0.2)Ni_(0.4)Zn_(0.4)Fe_2O_4(CNZF) ferrites with single-layer and double-layer absorbers were studied in the frequency range of 2–18 GHz. The spherical NiO particles were synthesized by using a hydrothermal process, while the CNZF powders were prepared by using a sol–gel autoignition method. The double-layer absorbers, composed of 30 wt% NiO as matching layer and 30 wt% CNZF as absorption layer,with a total thickness of 3.2 mm, exhibited a maximum reflection loss(RL) of –67.0 d B at 9.2 GHz and an effective absorbing bandwidth below –10 d B to be 3.9 GHz from 7.0 to 10.9 GHz. The excellent microwave absorption performance of the double-layer absorbers should be ascribed to the high impedance matching ratio, the great microwave attenuation capability, and well-coupled layer. 展开更多
关键词 微波吸收 吸收性质 NIO 吸收器 铁酸盐 球形 GHz 频率范围
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