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Density functional theory study of B- and Si-doped carbons and their adsorption interactions with sulfur compounds

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Carbon Energy 2024年第2期6卷 195-208页

作者： peng Guo hong zhang Shuliang Dong Libao An College of Mechanical Engineering North China University of Science and TechnologyTangshanHebeiChina College of Life Sciences North China University of Science and TechnologyTangshanHebeiChina

Understanding the adsorption interactions between carbon materials and sulfur compounds has far-reaching impacts,in addition to their well-known important role in energy storage and conversion,such as lithium-ion *** this paper,properties of intrinsic B or Si single-atom doped,and B-Si codoped graphene(GR)and graphdiyne(GDY)were investigated by using density functional theory-based calculations,in which the optimal doping configurations were explored for potential applications in adsorbing sulfur *** showed that both B or Si single-atom doping and B-Si codoping could substantially enhance the electron transport properties of GR and GDY,improving their surface ***,B and Si atoms displayed synergistic effects for the codoped configurations,where B-Si codoped GR/GDY exhibited much better performance in the adsorption of sulfurcontaining chemicals than single-atom doped *** addition,results demonstrated that,after B-Si codoping,the adsorption energy and charge transfer amounts of GDY with sulfur compounds were much larger than those of GR,indicating that B-Si codoped GDY might be a favorable material for more effectively interacting with sulfur reagents.

关键词： adsorption density functional theory doping graphdiyne graphene sulfur compounds

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孕产妇不规则抗体血清学特征和临床意义分析

中国实验血液学杂志 2024年第1期32卷 231-236页

作者：张涛杨桂林张宏鹏吴盈盈李胜蓝万块祁海峰李春莉重庆医科大学附属妇女儿童医院重庆市妇幼保健院输血科重庆401174

目的:明确不规则抗体在孕产妇人群中的血清学特征,探讨其临床意义。方法:选取2017年1月-2022年3月于重庆医科大学附属妇女儿童医院就诊的孕产妇151471例,采用微柱凝胶抗人球蛋白法进行不规则抗体筛查,对部分抗体筛查阳性标本进一步做抗... 详细信息

目的:明确不规则抗体在孕产妇人群中的血清学特征,探讨其临床意义。方法:选取2017年1月-2022年3月于重庆医科大学附属妇女儿童医院就诊的孕产妇151471例,采用微柱凝胶抗人球蛋白法进行不规则抗体筛查,对部分抗体筛查阳性标本进一步做抗体特异性鉴定。结果:孕产妇不规则抗体筛查阳性率为0.91%(1375/151471),其中0.23%(355/151471)在孕早期检出,0.05%(71/151471)在孕中期检出,0.63%(949/151471)在孕晚期检出,孕晚期抗体阳性率明显高于孕早期和孕中期,且孕晚期新增阳性例数明显高于孕中期新增例数;分析1375例不规则抗体阳性结果的凝集强度,其中凝集强度为弱阳性占比最高,为50.11%(689/1375),可疑阳性占18.69%(257/1375),阳性占31.20%(429/1375),孕中期凝集强度分布与孕早期相比差异无统计学意义,但孕晚期可疑阳性和弱阳性的比例低于孕早期,阳性比例高于孕早期,比较差异有统计学意义(P<0.001)。不规则抗体阳性孕产妇中,妊娠≥2次孕产妇的占比明显高于≤1次者;进行抗体鉴定的60例孕产妇中,Rh系统占25.00%(15/60),Lewis系统占43.33%(26/60),Kidd系统占3.33%(2/60),MNS系统抗体占16.67%(10/60),P1PK系统抗体占1.67%(1/60),自身抗体占1.67%(1/60),4例无法确认特异性占6.67%(4/60);特异性抗体中以抗-Lea(30.00%)最为常见,其次是抗-E(16.67%)和抗-M(16.67%)。结论:不同地区、具有不同遗传背景的孕产妇人群的不规则抗体血清学特征存在差异,掌握本地区孕产妇不规则抗体的特征,对保证孕产妇输血安全、防治新生儿溶血病具有十分重要的意义。

关键词：孕产妇不规则抗体抗体鉴定血清学特征

孕产妇Rh表型分布特征及相容性输血的可行性探讨

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中国实验血液学杂志 2024年第3期32卷 868-874页

作者：杨桂林张涛李春莉张宏鹏吴盈盈李胜蓝万块杨赟平重庆医科大学附属妇女儿童医院重庆市妇幼保健院输血科重庆401147

目的:分析重庆地区孕产妇Rh表型分布特征,探讨Rh表型在孕产妇中的临床意义及实行Rh表型相容性输血的可行性。方法:采用微柱凝胶法对65161例孕产妇进行ABO血型和Rh表型检测,以同期48122例男性为对照,通过χ^(2)检验对数据进行比较分析。... 详细信息

目的:分析重庆地区孕产妇Rh表型分布特征,探讨Rh表型在孕产妇中的临床意义及实行Rh表型相容性输血的可行性。方法:采用微柱凝胶法对65161例孕产妇进行ABO血型和Rh表型检测,以同期48122例男性为对照,通过χ^(2)检验对数据进行比较分析。结果:113283例样本中,RhD+112870例(99.64%),以CCDee(48.39%)和Cc DEe(32.88%)为主要表型,并检出重庆地区首例Rh缺失型D--表型;Rh D-413例(0.36%),以ccdee(52.78%)和Ccdee(33.41%)为主要表型;RhD+组与Rh D-组的Rh表型分布差异有统计学意义(Pe>C>c>E,与男性相比差异无统计学意义(P>0.05);孕产妇Rh表型分布与男性相比差异无统计学意义(P>0.05);不同ABO血型的孕产妇间Rh表型分布差异无统计学意义(P>0.05)。在孕产妇中,正常妊娠人群、有不良流产史人群、采用人类辅助生殖技术人群和不孕症患者人群间Rh表型分布无明显差异(P>0.05),4个孕产妇人群与本地区综合性三甲医院住院患者和献血者相比,Rh表型分布差异无统计学意义(P>0.05)。RhD阳性孕产妇中,CcDEe表型找到相容性血液的概率为100%,CCDee、CcDee和CCDEe表型找到相容血液的概率为45%-60%,ccDEE、ccDEe、CcDEE表型找到相容血液的概率为5%-10%,其余表型的相容概率均低于0.5%;提供CCDee和ccDEE两个表型的血液即可满足99%以上患者7种Rh表型相容性输血需求。结论:应对孕产妇进行Rh表型检测,对需要输血的孕产妇推行Rh表型相同或相容性输血是切实可行的输血举措。

关键词：孕产妇 Rh表型 Rh缺失型D-- Rh血型相容性输血

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人工智能THA术前规划的尸体验证研究

中国矫形外科杂志 2024年第16期32卷 1497-1501页

作者：郑勇强王泽峰方阳振刘晓峰张鸿鹏张金山晋江市医院(上海市第六人民医院福建医院)骨科福建晋江362200

[目的]验证“肩对肩”解剖标记定位法在大体标本全髋关节置换(total hip arthroplasty,THA)中恢复下肢长度的作用。[方法]在4具尸体行闭孔外肌肌腱止点的下为截骨标志的“肩对肩”THA,测量术后骨盆正位片下肢长度、尖肩距、截骨距、股... 详细信息

[目的]验证“肩对肩”解剖标记定位法在大体标本全髋关节置换(total hip arthroplasty,THA)中恢复下肢长度的作用。[方法]在4具尸体行闭孔外肌肌腱止点的下为截骨标志的“肩对肩”THA,测量术后骨盆正位片下肢长度、尖肩距、截骨距、股骨头旋转中心(center of rotation,COR)纵向及水平偏移度、髋臼外展角及前倾角,并与人工智能辅助规划系统(AIHIP)进行验证。[结果]4具尸体术后均达到双下肢等长。术后影像学与AIHIP规划的尖肩距、截骨距、股骨头旋转中心纵向偏移度及旋转中心水平偏移度比较差异均无统计学意义(P>0.05);术后影像学测量的髋臼外展角[(32.5±3.1)°vs(41.3±2.5)°,P=0.005]显著小于AIHIP规划的髋臼外展角,术后影像学测量的髋臼前倾角[(25.3±9.4)°vs(18.8±2.5)°,P=0.030]显著大于AIHIP规划的髋臼前倾角。术中测量的尖肩距显著大于术后影像测量[(26.3±2.6)mm vs(15.5±1.5)mm,P<0.001]和术前AIHIP规划[(26.3±2.6)mm vs(17.0±2.2)mm,P<0.001]。[结论]尸体手术对AIHIP的验证表明,股骨侧“肩对肩”解剖标记定位法能够保证股骨侧假体准确置入合适位置,有效恢复下肢长度,尽管不同时间点测量的部分参数有差异。

关键词：全髋关节置换尸体手术人工智能规划解剖标志测量

A Simple Approach for Synthesis of TAPO-11 Molecular Sieve with Controllable Space Group

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Chinese Chemical Letters 2006年第10期17卷 1409-1412页

作者： Yue Ming LIU Huan Yan zhang Hai Jiao zhang Hai hong WU peng WU Ming Yuan HE Shanghai Key Laboratory of Green Chemistry and Chemical Processes Department of Chemistry East China Normal University Shanghai 200062

A TAPO-11 molecular sieve with the space group lcm2 was synthesized successfully. The samples with different space group were controlled simply only by adjusting the crystallization temperature （CT） in the hydrothermal system. In the system of gel with a molar composition of 0.7R- xTiO2： P2O5： Al2O3： 30H2O, where x is 0.01-0.10 and the R is a mixture of di-n-propylamine and diisopropylamine as templates. When CT was between 150-160℃, the calcined sample showed the space group of Icm^2, while it showed Pna21 at CT larger than 190℃. The characterizations of UV-Vis and FT-IR confirmed that Ti was incorporated into the AEL framework successfully.

关键词： TAPO-11 molecular sieve space group synthesis titanosilicate

CD209 signaling pathway as a biomarker for cisplatin chemotherapy response in small cell lung cancer

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Genes & Diseases 2024年第3期11卷 11-14页

作者： Anqi Lin hong Yang Jian zhang peng Luo Department of Oncology Zhujiang HospitalSouthern Medical UniversityGuangzhouGuangdong 510282China The First Clinical Medical School Southern Medical UniversityGuangzhouGuangdong 510515China

One of the bottlenecks in the clinical treatment of small cell lung cancer(SCLC)is its susceptibility to multidrug *** SCLC is sensitive to platinum-based chemotherapy at the initial stage of treatment,it can rapidly become drug-resistant,allowing tumor growth to accelerate.A significant decrease in drug sensitivity after recurrence and multidrug resistance can seriously interfere with the effectiveness of treatment,making sensitivity maintenance one of the urgent challenges to be ***,discovering prognostic markers for cisplatin chemotherapy and understanding the mechanisms of cisplatin resistance have great practical significance for improving the outcomes of sCLC patients.

关键词： cisplatin chemotherapy lung

Experimental and first-principles calculation of TiN growth mechanism on CeAlO_(3) surface in steel

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Journal of Iron and Steel Research International 2024年第2期31卷 452-463页

作者： Fei-hu He Jun peng Fang zhang Yong-bin Wang hong-tao Chang School of Materials and Metallurgy Inner Mongolia University of Science and TechnologyBaotou014010Inner MongoliaChina

Regular TiN is harmful to the toughness of steel,and its shape and size need to be *** the behavior of TiN precipitation on CeAlO_(3) surfaces is critical for controlling the morphology and formation process of CeAlO_(3)–TiN composite inclusions in the *** results showed that TiN had a square morphology on the CeAlO3 surface,and electron backscatter diffraction phase identification results revealed the orientation relationship between CeAlO_(3) and TiN as follows:(001)_(CeAlO_(3))//(110)_(TiN),(100)_(CeAlO_(3))/(001)_(TiN),and[010]_(CeAlO_(3))/[110]_(TiN).The CeAlO3 crystal structure was studied using the first-principles calculation method,and the adsorption and growth process of TiN on the CeAlO_(3) surface were investigated from the atomic *** calculation results indicate that there is no metallic bonding present in the CeAlO_(3) *** the low-index crystal planes of CeAlO_(3),the(110)planes terminated with O and CeAlO have the highest and lowest surface energies,respectively,with values of 0.373 and 0.051 eV/Å^(2).On the high surface energy plane of CeAlO_(3),the TiN atomic permutation structure is consistent with the arrangement of Ti and N atoms in TiN(100)or(110).For the low surface energy plane of CeAlO_(3),the Ti and N atoms are arranged in a ring-like structure.

关键词： CeAlO_(3)-TiN inclusion Orientation relationship Crystal structure First principle Surface energy

On Klein tunneling of low-frequency elastic waves in hexagonal topological plates

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Applied Mathematics and Mechanics(English Edition) 2024年第7期45卷 1139-1154页

作者： Yuxin YAO Yuansheng MA Fang hong Kai zhang Tingting WANG Haijun peng Zichen DENG School of Mechanics Civil Engineering and ArchitectureNorthwestern Polytechnical UniversityXi’an710072China MIIT Key Laboratory of Dynamics and Control of Complex Systems Northwestern Polytechnical UniversityXi’an710072China State Key Laboratory of Structural Analysis for Industrial Equipment Dalian University of TechnologyDalian116024Liaoning ProvinceChina

Incident particles in the Klein tunnel phenomenon in quantum mechanics can pass a very high potential *** the concept of tunneling into the analysis of phononic crystals can broaden the application *** this study,the structure of the unit cell is designed,and the low frequency(<1 k Hz)valley locked waveguide is realized through the creation of a phononic crystal plate with a topological phase transition *** defect immunity of the topological waveguide is verified,that is,the wave can propagate along the original path in the cases of impurities and ***,the tunneling phenomenon is introduced into the topological valley-locked waveguide to analyze the wave propagation,and its potential applications(such as signal separators and logic gates)are further explored by designing phononic crystal *** research has broad application prospects in information processing and vibration control,and potential applications in other directions are also worth exploring.

关键词： topological metamaterial elastic wave Klein tunneling valley-locked waveguide

Vertically grown MoS_(2)nanosheets on graphene with defect-rich structure for efficient sodium storage

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Rare Metals 2024年第3期43卷 1062-1071页

作者： Ying Wang Jia-peng He Han-Qing Pan Qing-peng Wang Lei zhang Yong-Chang Liu Qing-hong Wang School of Chemistry&Materials Science Jiangsu Key Laboratory of Green Synthetic Chemistry for Functional MaterialsJiangsu Normal UniversityXuzhou221116China Institute of Biopharmaceutical Research Liaocheng UniversityLiaocheng252059China Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and TechnologyState Key Laboratory for Advanced Metals and MaterialsUniversity of Science and Technology BeijingBeijing100083China Centre for Catalysis and Clean Energy Gold Coast CampusGriffith UniversityGold CoastQLD4222Australia

The synthesis of a perpendicular growth structure of MoS_(2)nanosheets on graphene for efficient sodium storage is challenging yet ideal due to the benefits of open ion diffusion channels and high electronic *** this study,we have successfully fabricated a novel structure of vertical MoS_(2)nanosheets on graphene,with ZnS nanoparticles serving as bonding points(MoS_(2)/ZnS/G),through a facile hydrothermal *** the synthesis process,Zn^(2+)not only acts as a landing site for the vertical growth of MoS_(2)nanosheets but also triggers the formation of a defect-rich structure in the final *** unique architecture of MoS_(2)/ZnS/G effectively combines the advantages of a vertically aligned geometry and a defectrich structure for energy *** resulting structure displays shortened transport paths for electrons/ions,enhanced conductivity,improved structural integrity,and an increased number of active sites for promising electrochemical *** expected,when used as anode for sodium-ion batteries,the as-synthesize d MoS_(2)/ZnS/G exhibits excellent rate capability(high capacity of 298 mAh·g^(-1)at 5 A·g^(-1))and good cycling stability(a capacity decay of 0.056%per cycle after 500 cycles at 1 A·g^(-1)).According to the kinetic investigations,the electrochemical process of the MoS_(2)/ZnS/G sample is primarily governe d by a pseudocapacitive behavior,which enhances the charge/discharge kinetics and allows the MoS_(2)/ZnS/G structure to remain intact during cycling.

关键词： MoS_(2) Perpendicular growth Graphene Sodium storage Electrochemical performance