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Exploring charge and spin fluctuations in infinite-layer cuprate SrCuOfrom a phonon perspective

Science China(Physics,Mechanics & Astronomy) 2024年

作者： Xin Du Pei-Han Sun Ben-Chao Gong Jian-Feng Zhang zhong-yi Lu Kai Liu Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices Renmin University of China Department of Physics School of Science Jiangsu University of Science and Technology Institute of Physics Chinese Academy of Sciences Key Laboratory of Quantum State Construction and Manipulation (Ministry of Education) Renmin University of China

The infinite-layer cuprate ACuO2（A = Ca, Sr, Ba） possesses the simplest crystal structure among numerous cuprate superconductors and can serve as a prototypical system to explore the unconventional superconductivity. Based on the first-principles electronic structure calculations, we have studied the electronic and magnetic properties of the infinite-layer cuprate SrCuO2from a phonon perspective. We find that interesting fluctuations of charges, electrical dipoles, and local magnetic moments can be induced by the atomic displacements of phonon modes in SrCuO2upon the hole doping. Among all optical phonon modes of SrCuO2in the antiferromagnetic Ne′el state, only the A1gmode that involves the full-breathing O vibrations along the Cu-O bonds can cause significant fluctuations of local magnetic moments on O atoms and dramatic charge redistributions between Cu and O atoms. Notably, due to the atomic displacements of the A1gmode, both the charge fluctuations on Cu and the electrical dipoles on O show a dome-like evolution with increasing hole doping, quite similar to the experimentally observed behavior of the superconducting Tc; in comparison, the fluctuations of local magnetic moments on O display a monotonic enhancement along with the hole doping. Further analyses indicate that around the optimal doping, there exists a large softening in the frequency of the A1gphonon mode and a van Hove singularity in the electronic structure close to the Fermi level, suggesting potential electron-phonon coupling. Our work reveals the important role of the full-breathing O phonon mode playing in the infinite-layer SrCuO2, which may provide new insights in understanding the cuprate superconductivity.

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Organic matter pore characteristics of over-mature marine black shale: a comparison of organic fractions with different densities

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Frontiers of Earth Science 2023年第1期17卷 310-321页

作者： Shitan NING Peng XIA Niuniu ZOU yi zhong yin YU Yuliang MOU Ke WANG College of Resources and Environmental Engineering Guizhou UniversityGuiyang 500025China Key Laboratory of Karst Georesources and Environment Ministry of Education Guizhou UniversityGuiyang 500025China School of Geosciences China University of PetroleumQingdao 266580China

Organic matter pores are considered to be the most important type of pore for preserving hydrocarbon gases in shale gas reservoirs.The organic matter in each over-mature marine shale sample was separated into two organic fractions with densities of greater than and less than 1.25 g/cm^(3),and then their molecular compositions and pore characteristics were quantitatively evaluated using solid state 13C-nuclear magnetic resonance(NMR)and gas(N2 and CO_(2))adsorption analyses,respectively.The results revealed that aromatic carbon is the dominant molecular composition of the over-mature organic matter in the Lower Cambrian Niutitang shale.During the over-mature stage,the organic fractions with densities of greater than and less than 1.25 g/cm^(3) have no significant differences in molecular composition.The organic fractions with densities of greater than and less than 1.25 g/cm^(3) do have significant differences in their organic pore characteristics.In contrast to the high density organic fraction,the low density fraction contained abundant micropores and lacked mesopores and macropores.The organic pore structures of the different occurrence states of organic matter were significantly different.The C/O of organic matter in different occurrence states are obviously different,which proves that the organic pore structure is closely related to both the occurrence state and density of the organic matter.However,these relationships are still unclear and require further study.

关键词： pore characteristics organic matter black shale Early Cambrian Yangtze Block

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Prediction of pathological complete response and prognosis in locally advanced rectal cancer

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World Journal of Gastrointestinal Oncology 2024年第6期16卷 2520-2530页

作者： yi-Jun Xu Dan Tao Song-Bing Qin Xiao-Yan Xu Kai-Wen Yang zhong-Xu Xing Ju-ying Zhou Yang Jiao Li-Li Wang Department of Radiation Oncology The First Affiliated Hospital of Soochow UniversitySuzhou 215006Jiangsu ProvinceChina Department of Radiation Oncology The Fourth Affiliated Hospital of Soochow UniversitySuzhou 215006Jiangsu ProvinceChina School of Radiation Medicine and Protection Medical College of Soochow UniversitySuzhou 215123Jiangsu ProvinceChina

BACKGROUND Colorectal cancer is currently the third most common malignant tumor and the second leading cause of cancer-related death worldwide.Neoadjuvant chemoradiotherapy(nCRT)is standard for locally advanced rectal cancer(LARC).Except for pathological examination after resection,it is not known exactly whether LARC patients have achieved pathological complete response(pCR)before surgery.To date,there are no clear clinical indicators that can predict the efficacy of nCRT and patient outcomes.AIM To investigate the indicators that can predict pCR and long-term outcomes following nCRT in patients with LARC.METHODS Clinical data of 128 LARC patients admitted to our hospital between September 2013 and November 2022 were retrospectively analyzed.Patients were categorized into pCR and non-pCR groups.Univariate analysis(using the χ^(2) test or Fisher’s exact test)and logistic multivariate regression analysis were used to study clinical predictors affecting pCR.The 5-year disease-free survival(DFS)and overall survival(OS)rates were calculated using Kaplan-Meier analysis,and differences in survival curves were assessed with the log-rank test.RESULTS Univariate analysis showed that pretreatment carcinoembryonic antigen(CEA)level,lymphocyte-monocyte ratio(LMR),time interval between neoadjuvant therapy completion and total mesorectal excision,and tumor size were correlated with pCR.Multivariate results showed that CEA≤5 ng/mL(P=0.039),LMR>2.73(P=0.023),and time interval>10 wk(P=0.039)were independent predictors for pCR.Survival analysis demonstrated that patients in the pCR group had significantly higher 5-year DFS rates(94.7%vs 59.7%,P=0.002)and 5-year OS rates(95.8%vs 80.1%,P=0.019)compared to the non-pCR group.Tumor deposits(TDs)were significantly correlated with shorter DFS(P=0.002)and OS(P<0.001).CONCLUSION Pretreatment CEA,LMR,and time interval contribute to predicting nCRT efficacy in LARC patients.Achieving pCR demonstrates longer DFS and OS.TDs correlate with poor prognosis.

关键词： Locally advanced rectal cancer Neoadjuvant chemoradiotherapy Pathological complete response Carcinoembryonic antigen Inflammation-related markers Tumor deposit Prognosis

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Acceptor-engineering tailored type-I photosensitizer with aggregation-induced NIR-II emission for cancer multimodal phototheranostics

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Science China Chemistry 2024年

作者： Jiangao Li Niu Niu Deliang Wang Xue Liu yi Qin Lei Wang Ben zhong Tang Dong Wang Center for AIE Research Shenzhen Key Laboratory of Polymer Science and Technology Guangdong Research Center for Interfacial Engineering of Functional Materials College of Materials Science and Engineering Shenzhen University Guangzhou Municipal and Guangdong Provincial Key Laboratory of Molecular Target & Clinical Pharmacology the State Key Laboratory of Respiratory Disease School of Pharmaceutical Sciences and the Fifth Affiliated Hospital Guangzhou Medical University School of Science and Engineering Shenzhen Institute of Aggregate Science and Technology The Chinese University of Hong Kong

Exploration of single molecular species synchronously featured by long excitation/emission wavelength, accurate diagnosis, and effective therapy, remains supremely appealing to implement high-performance cancer phototheranostics. However, those previously established phototheranostic agents are undiversified and stereotyped in terms of structural skeleton, and generally exhibit insufficient phototheranostic outcomes. Herein, we innovatively utilized indanone-condensed thiadiazolo[3,4-g]quinoxaline(ITQ) as electron acceptor to construct novel photosensitizer with second near-infrared(NIR-II) emission. Experimental study and theoretical calculation demonstrated that comparing with the counterparts constituting by widely employed NIR-II building block benzobisthiadiazole(BBTD) and 6,7-diphenylthiadiazoloquinoxaline(DPTQ), ITQ-based photosensitizer(TITQ) showed superior aggregation-induced emission(AIE) characteristics, much stronger type-I reactive oxygen species(ROS) production, and prominent photothermal conversion capacity. Furthermore, TITQ nanoparticles with excellent biocompatibility were capable of effectively accumulating in the tumor site and visualizing tumor through fluorescence-photoacoustic-photothermal trimodal imaging with highly spatiotemporal resolution, and completely eliminating tumor by type-I photodynamic-photothermal therapy.

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Acceptor-engineering tailored type-Ⅰ photosensitizer with aggregation-induced NIR-II emission for cancer multimodal phototheranostics

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Science China Chemistry 2024年第8期 2647-2660页

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Modulated noble metal/2D MOF heterostructures for improved hydrogen storage of MgH2

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Rare Metals 2024年第4期43卷 1672-1685页

作者： Zeng-yi Li Li-Xian Sun Fen Xu Yu-Mei Luo Yong-Peng Xia Sheng Wei Chen-Chen Zhang Ri-Guang Cheng Chao-Feng Ye Meng-Yuan Liu Ju-Lan Zeng zhong Cao Hong-Ge Pan School of Material Science and Engineering Guilin University of Electronic Technology School of Chemistry and Chemical Engineering Changsha University of Science and Technology Institute of Science and Technology for New Energy Xi'an Technological University

The conjugation of external species with twodimensional（2D） materials has broad application prospects.In this study,we have explored the potential of noble metal/2D MOF heterostructures in hydrogen storage.Specifically,the MgH2-Ni-MOF@Pd system has shown remarkable hydrogen desorption/sorption performances,starting to liberate hydrogen at 181 0C,which is 230 0C lower than that of pristine MgH2.Under the catalytic effect of Ni-MOF@Pd,the dehydrogenation apparent activation energy of MgH2 is noticeably decreased from（133.5 ± 17.5） to（34.58 ± 1.87） kJ·mol-1,and the hydrogenation apparent activation energy is reduced from（70.41 ± 7.43） to（25.78 ± 4.64） kJ·mol-1,which is lowered by 63.4%.The fully-dehydrogenated MgH2-NiMOF@Pd composite rapidly uptakes hydrogen,with 2.62wt% at 100℃ and 6.06 wt% at 150℃ within 300 s,respectively.The mechanism analysis of MgH2 catalyzed by Ni-MOF@Pd has revealed that the transformation of Mg2Ni and Mg2NiH4could act as a "hydrogen pump",providing numerous channels for fast diffusion and transport of hydrogen atoms.Moreover,in the dehydrogenation process,the element Pd reacts with MgH2to form the MgPd alloy phase,which makes MgH2take precedence to decompose through the Mg-Pd alloy rather than self-decomposition,further reducing thermal stability and improving de/hydrogenation kinetics.The synergistic effect of Mg-Pd,Mg2Ni,and the special ultra-thin 2D sheet structure of the additive is the main reason for the good hydrogen storage property of MgH2-Ni-MOF@Pd.Our findings provide inspiration for designing efficient multifunctional additives with unique morphologies to optimize the hydrogen desorption/sorption behaviors of hydrogen storage materials.

关键词： Hydrogen storage Magnesium hydride 2D metal-organic framework nanosheets Ni/Pd Synergistic catalysis

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局部一致性主动学习的源域无关开集域自适应

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软件学报 2024年第4期35卷 1651-1666页

作者：王帆韩忠义苏皖尹义龙山东大学软件学院山东济南250101

无监督域自适应在解决训练集(源域)和测试集(目标域)分布不一致的问题上已经取得了一定的成功.在面向低能耗场景和开放动态任务环境时,在资源约束和开放类别出现的情况下,现有的无监督域自适应方法面临着严峻的挑战.源域无关开集域自适... 详细信息

无监督域自适应在解决训练集(源域)和测试集(目标域)分布不一致的问题上已经取得了一定的成功.在面向低能耗场景和开放动态任务环境时,在资源约束和开放类别出现的情况下,现有的无监督域自适应方法面临着严峻的挑战.源域无关开集域自适应(SF-ODA)旨在将源域模型中的知识迁移到开放类出现的无标签目标域,从而在无源域数据资源的限制下辨别公共类和检测开放类.现有的源域无关开集域自适应的方法聚焦于设计准确检测开放类别的源域模型或增改模型的结构.但是,这些方法不仅需要额外的存储空间和训练开销,而且在严格的隐私保护场景下难以实现.提出了一个更加实际的场景:主动学习的源域无关开集域自适应(ASF-ODA),目标是基于一个普通训练的源域模型和少量专家标注的有价值的目标域样本来实现鲁棒的迁移.为了达成此目标,提出了局部一致性主动学习(LCAL)算法.首先,利用目标域中局部特征标签一致的特点,LCAL设计了一种新的主动选择方法:局部多样性选择,来挑选更有价值的阈值模糊样本来促进开放类和公共类分离.接着,LCAL基于信息熵初步筛选出潜在的公共类集合和开放类集合,并利用第一步得到的主动标注样本对这两个集合进行匹配纠正,得到两个对应的可信集合.最后,LCAL引入开集损失和信息最大化损失来进一步促使公共类和开放类分离,引入交叉熵损失来实现公共类的辨别.在Office-31、Office-Home和VisDA-C这3个公开的基准数据集上的大量实验表明:在少量有价值的目标域样本的帮助下,LCAL不仅显著优于现有的源域无关开集域自适应方法,还大幅度超过了现有的主动学习方法的表现,在某些迁移任务上可以提升20%.

关键词：资源约束开集识别源域无关域自适应开集域自适应主动学习

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Assessing risk of Bombali virus spillover to humans by mutagenesis analysis of viral glycoprotein

hLife

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hLife 2024年第1期2卷 32-42页

作者： Lincan Li Tianyu Gan Ziyue Ma yi Huang Jin zhong Unit of Viral Hepatitis CAS Key Laboratory of Molecular Virology and ImmunologyShanghai Institute of Immunity and InfectionCenter for Biosafety Mega-ScienceChinese Academy of SciencesShanghaiChina University of Chinese Academy of Sciences BeijingChina ShanghaiTech University ShanghaiChina Wuhan National Biosafety Laboratory Center for Biosafety Mega-ScienceChinese Academy of SciencesHubeiChina

Ebolaviruses,such as the highly pathogenic Ebola virus(EBOV),belong to the family Filoviridae and have caused out-breaks of severe and fatal hemorrhagic fever over the past years.Bombali virus(BOMV)is a newly discovered ebolavirus from bats with unknown potential to infect humans.For most ebolaviruses,the interaction between viral glycoprotein(GP)and host receptor Niemann-Pick C1(NPC1)is crucial for viral entry and determines host tropism.Here,we analyzed the BOMV GP-mediated virus entry into human cells using our recently developed EBOV transcription-and replication-competent virus-like particle(trVLP)system.We demonstrated that while BOMV GP can be efﬁciently incorporated into trVLPs,it is inefﬁcient in mediating trVLP entry into human cells.However,BOMV GP-mediated virus entry into human cells can be signiﬁcantly enhanced by a few mutations in the NPC1-binding domain of GP.Furthermore,we showed that these mutations increase the binding of BOMV-GP to human NPC1.In summary,our results suggested that although wild-type BOMV does not efﬁciently infect human cells,the emergence of mutations in viral GP may boost its ability to spill over to humans,highlighting the importance of monitoring BOMV GP evolution in preventing potential BOMV spillover events.

关键词： Bombali virus glycoprotein entry Ebola virus Niemann-Pick C1

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Forgetting and small G protein Rac

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Protein & Cell 2010年第6期1卷 503-506页

作者： yichun Shuai yi zhong School of Life Sciences Tsinghua UniversityBeijing 100084China Cold Spring Harbor Laboratory Cold Spring HarborNY 11724USA

It is far from understood why we forget things that are known to us seconds ago.Emerging evidence emphasizes that small G protein Rac could be a key to understanding this type of rapid early memory forgetting.This current perspective article will first review these studies and then discuss their implications for the internal processes underlying forgetting.

关键词： forget getting Rac

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A comparative study of acupuncture combined with rehabilitation gymnastics on postoperative anal function of lower rectal cancer

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World Journal of Clinical Cases 2024年第18期12卷 3491-3496页

作者： Zhan-Lun Liu yi-Wei He Yan-Feng Liu Ni Wang Wei Li Li-zhong Shen Department of Digestive Surgery Hebei Provincial Hospital of Traditional Chinese MedicineShijiazhuang 050000Hebei ProvinceChina

BACKGROUND From the anal function,inflammatory response and other indicators,acupuncture combined with rehabilitation gymnastics was applied to patients with cancer undergoing low resection,aiming to improve the prognosis of patients.AIM To explore the effects of acupuncture combined with rehabilitation gymnastics on anal function after lower rectal cancer surgery.METHODS From January 2020 to December 2022,128 patients who underwent rectal cancer surgery in the Department of Oncology of Hebei Provincial Hospital of Traditional Chinese Medicine Hospital were selected and divided into two groups using the random number table method,with 64 patients in each group.Patients in the control group were not treated with acupuncture or rehabilitation gymnastics and served as blank controls.Patients in the study group were treated with acupuncture and rehabilitation gymnastics from the 7th postoperative day.The anal incontinence scores,changes in serum interleukin-4,interleukin-6,and interleukin-10 Levels,and serum motilin,5-hydroxytryptamine,and vasoactive intestinal peptide levels were compared.RESULTS There were no significant differences in serum interleukin-4,interleukin-6,and interleukin-10 Levels between the groups before treatment(P>0.05).After treatment,these levels were better than those of the control group(P0.05).Anal incontinence scores in the study group were lower than those in the control group at 14 d,21 d,and 28 d postoperatively(P0.05).After treatment,these levels were higher in the study group than in the control group,and vasoactive intestinal peptide level was lower in the study group than in the control group(P<0.05).CONCLUSION Acupuncture combined with rehabilitation gymnastics can promote the recovery of anal function a

关键词： Low rectal cancer Anal function Acupuncture Rehabilitation gymnastics

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