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Integrating sequence and graph information for enhanced drug-target affinity prediction

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Science China(Information Sciences) 2024年第2期67卷 325-326页

作者： Haohuai HE Guanxing chen Calvin Yu-Chian chen Artificial Intelligence Medical Research Center School of Intelligent Systems EngineeringShenzhen Campus of Sun Yat-sen University

Drug discovery is a pivotal discipline involving the identification and development of innovative pharmaceuticals designed to combat a wide array of illnesses. It plays a crucial role in advancing global health outcomes and improving the standard of living for individuals worldwide. However,drug discovery often relies on laborious in vitro experiments,

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Enhanced photoluminescence of a microporous quantum dot color conversion layer by inkjet printing

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Nano Research 2024年第8期17卷 7717-7725页

作者： junchi chen Qihao jin Yidenekachew.j.Donie Orlando.T.Perales Dmitry Busko Bryce.S.Richards Uli Lemmer Light Technology Institute(LTI) Karlsruhe Institute of Technology(KIT)Engesserstrasse 1376131 KarlsruheGermany Department of Chemical Engineering and Materials Science University of Minnesota(UMN)421 Washington Ave.SEMinneapolisMN 55455-0132USA Institute for Microstructure Technology Karlsruhe Institute of Technology(KIT)Hermann-von-Helmholtz-Platz 176344 Eggenstein-LeopoldshafenGermany

Owing to their high color purity,tunable bandgap,and high efficiency,quantum dots(QDs)have gained significant attention as color conversion materials for high-end display ***,inkjet-printed QD pixels show great potential for realizing full-color mini/micro-light emitting diode(micro-LED)-based *** a color conversion layer,the photoluminescence intensity of QDs is limited by the insufficient absorptance of the excitation light due to the lack of *** scatterers,such as titanium dioxide microparticles,have been applied after additional surface engineering for sufficient dispersity to prevent nozzle clogging in inkjet printing *** our work,as an alternative approach,we use inkjet printing for depositing a phase separating polymer ink based on polystyrene(PS)and polyethylene glycol(PEG).QD/polymer composite pixels with scattering micropores are *** morphology of the micropores can be tailored by the weight ratio between PS and PEG which enables the manipulation of scattering *** the presence of the microporous structure,the photoluminescence intensity of the QD film is enhanced by 110%in drop-cast films and by 35.3%in inkjet-printed QD pixel arrays compared to the reference samples.

关键词： porous structure inkjet printing phase separation quantum dots display technology

Significant effect of ordered micro-domain on cell boundary phase distribution and demagnetization curve squareness of Sm_(2)Co_(17)-type magnet

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Rare Metals 2024年第4期43卷 1724-1735页

作者： Zhuang Liu Hai-chen wu Chao-Yue Zhang Chao-Qun Zhu Guo-Xin chen Huan-Ming Lu Ren-jie chen Aru Yan CISRI&NIMTE joint Innovation Center for Rare Earth Permanent Magnets Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo315201China University of Chinese Academy of Sciences Beijing100049China Analytical Center Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo315201China

Cu-rich cell boundary phase is difficult to precipitate evenly,resulting in a generally poor demagnetization curve squareness for Fe-rich Sm_(2)Co_(17)-type magnet,which is a key factor limiting the further improvement of magnetic energy *** this study,we report that nanoscale strip-like ordered micro-domains distributed in1:7H disordered matrix phase of the solid solution precursor is a new factor significantly affecting the precipitation and distribution of the cell boundary *** strip-like and continuous micro-twin structure with twin boundaries neatly perpendicular to the C-axis is observed after sintering *** solution treatment,sequential and long strip-like micro-twins gradually transform into disordered state along the basal plane,forming narrow disordered 1:7H(TbCu_(7)-type structure)phase between the separated strip-like ordered *** disordering transformation takes place via broken down of the long strip-like ordered micro-domains,which is accomplished by narrowing along the width direction followed by reduction of the ***,a new model revealing the effect of the ordered micro-domains on the formation of the cell boundary phase is *** boundaries enriched in Cu have already existed in the precursor with long strip-like ordered ***,the Cu-rich cell boundary phase acting as strong pinning centers cannot be precipitated homogeneously and distributed continuously after aging,resulting in a poor demagnetization curve squareness of Sm_(2)Co_(17)-type *** results indicate that significant broken down of the nanoscale ordered micro-domains in solution precursor is the key factor improving the distribution of cell boundary phase in Sm_(2)Co_(17)-type magnets.

关键词： Sm_(2)Co_(17) magnets Solution precursor Ordered micro-domains Disordering transformation Cellular structure

Improved Efficiency and Stability of Organic Solar Cells by Interface Modification Using Atomic Layer Deposition of Ultrathin Aluminum Oxide

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Energy & Environmental Materials 2024年第3期7卷 282-290页

作者： Ai Lan Yiqun Li Huiwen Zhu jintao Zhu Hong Lu Hainam Do Yifan Lv Yonghua chen Zhikuan chen Fei chen wei Huang School of Flexible Electronics(Future Technologies)and Key Laboratory of Flexible Electronics(KLOFE)and Institute of Advanced Materials(IAM) Jiangsu National Synergetic Innovation Center for Advanced Materials(SICAM)Nanjing Tech UniversityNanjing 210009China Department of Chemical and Environmental Engineering University of Nottingham Ningbo ChinaNingbo 315000China Key Laboratory of Flexible Electronics of Zhejiang Province Ningbo Institute of Northwestern Polytechnical UniversityNingbo 315103China Frontiers Science Center for Flexible Electronics Xi'an Institute of Flexible Electronics(IFE)and Xi'an Institute of Biomedical Materials&EngineeringNorthwestern Polytechnical UniversityXi'an 710072China

The interfacial contacts between the electron transporting layers(ETLs)and the photoactive layers are crucial to device performance and stability for OSCs with inverted ***,atomic layer deposition(ALD)fabricated ultrathin Al_(2)O_(3)layers are applied to modify the ETLs/active blends(PM6:BTP-BO-4F)interfaces of OSCs,thus improving device *** ALD-Al_(2)O_(3)thin layers on ZnO significantly improved its surface morphology,which led to the decreased work function of ZnO and reduced recombination losses in *** simultaneous increase in open-circuit voltage(V_(OC)),short-circuit current density(j_(SC))and fill factor(FF)were achieved for the OSCs incorporated with ALD-Al_(2)O_(3)interlayers of a certain thickness,which produced a maximum PCE of 16.61%.Moreover,the ALD-Al_(2)O_(3)interlayers had significantly enhanced device stability by suppressing degradation of the photoactive layers induced by the photocatalytic activity of ZnO and passivating surface defects of ZnO that may play the role of active sites for the adsorption of oxygen and moisture.

关键词： atomic layer deposition interface modification organic solar cells stability

Carrimycin ameliorates lipopolysaccharide and cecal ligation and puncture-induced sepsis in mice

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Chinese journal of Natural Medicines 2024年第3期22卷 235-248页

作者： LAI junzhong LIANG jiadi chen Kunsen GUAN Biyun chen Zhirong chen Linqin FAN jiqiang ZHANG Yong LI Qiumei SU jingqian chen Qi LIN jizhen The Cancer Center Fujian Medical University Union HospitalFuzhou 350001China Fujian Key Laboratory of Innate Immune Biology Biomedical Research Center of South ChinaFujian Normal UniversityFuzhou 350117China The Department of Otolaryngology Head&Neck SurgeryUniversity of Minnesota Medical SchoolMinneapolisMN 55455USA

Carrimycin(CA),sanctioned by China’s National Medical Products Administration(NMPA)in 2019 for treating acute bronchitis and sinusitis,has recently been observed to exhibit multifaceted biological activities,encompassing anti-inflammatory,antiviral,and anti-tumor *** these applications,its efficacy in sepsis treatment remains *** study introduces a novel function of CA,demonstrating its capacity to mitigate sepsis induced by lipopolysaccharide(LPS)and cecal ligation and puncture(CLP)in mice *** research employed in vitro assays,real-time quantitative polymerase chain reaction(RT-qPCR),and RNA-seq analysis to establish that CA significantly reduces the levels of pro-inflammatory cytokines,namely tumor necrosis factor-alpha(TNF-α),interleukin 1 beta(IL-1β),and interleukin 6(IL-6),in response to LPS ***,western blotting and immunofluorescence assays revealed that CA impedes Nuclear Factor Kappa B(NF-κB)activation in LPS-stimulated RAw264.7 *** these findings,in vivo experiments demonstrated that CA effectively alleviates LPS-and CLP-triggered organ inflammation in C57BL/6 *** insights were gained through 16S sequencing,highlighting CA’s pivotal role in enhancing gut microbiota diversity and modulating metabolic pathways,particularly by augmenting the production of short-chain fatty acids in mice subjected to ***,a comparative analysis revealed that CA’s anti-inflammatory efficacy surpasses that of equivalent doses of aspirin(ASP)and ***,these findings suggest that CA exhibits significant therapeutic potential in sepsis *** discovery provides a foundational theoretical basis for the clinical application of CA in sepsis management.

关键词： Carrimycin Inflammation Lipopolysaccharide Cecal ligation and puncture Sepsis Gut microbiota

Geometric phase-encoded stimuli-responsive cholesteric liquid crystals for visualizing real-time remote monitoring:humidity sensing as a proof of concept

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Light(Science & Applications) 2024年第2期13卷 283-293页

作者： Shi-Long Li Zhao-Yi chen Peng chen wei Hu Chaohong Huang Sen-Sen Li Xuejia Hu Yan-Qing Lu Lu-jian chen Department of Electronic Engineering School of Electronic Science and EngineeringXiamen University361005 XiamenChina College of Engineering and Applied Sciences Nanjing University210093 NanjingChina Fujian Key Laboratory of Ultrafast Laser Technology and Applications Xiamen University361005 XiamenChina

Liquid crystals are a vital component of modern photonics,and recent studies have demonstrated the exceptional sensing properties of stimuli-responsive cholesteric liquid ***,existing cholesteric liquid crystal-based sensors often rely on the naked eye perceptibility of structural color or the measurement of wavelength changes by spectrometric tools,which limits their practical ***,developing a platform that produces recognizable sensing signals is *** this study,we present a visual sensing platform based on geometric phase encoding of stimuli-responsive cholesteric liquid crystal polymers that generates real-time visual patterns,rather than frequency *** demonstrate this platform’s effectiveness,we used a humidity-responsive cholesteric liquid crystal polymer film encoded with a q-plate pattern,which revealed that humidity causes a shape change in the vortex beam reflected from the encoded cholesteric liquid crystal ***,we developed a prototype platform towards remote humidity monitoring benefiting from the high directionality and long-range transmission properties of laser beams carrying orbital angular *** approach provides a novel sensing platform for cholesteric liquid crystals-based sensors that offers promising practical *** ability to generate recognizable sensing signals through visual patterns offers a new level of practicality in the sensing field with stimuli-responsive cholesteric liquid *** platform might have significant implications for a broad readership and will be of interest to researchers working in the field of photonics and sensing technology.

关键词： humidity visual liquid

New insights on the high-corrosion resistance of UHP Mg-Ge alloys tested in a simulated physiological environment

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journal of Magnesium and Alloys 2024年第3期12卷 1026-1044页

作者： Ting Liu Xingrui chen jeffrey Venezuela Yuan wang Zhiming Shi wenyi chen Matthew Dargusch Centre for Advanced Materials Processing and Manufacturing(AMPAM) School of Mechanical and Mining Engineeringthe University of QueenslandBrisbaneQLD 4072Australia CSIRO Mineral Resources 1 Technology CourtPullenvaleQLD 4069Australia

UHP Mg-Ge alloys was recently found to provide excellent corrosion *** paper provides new insights on the mechanism of improved corrosion resistance of UHP Mg-Ge alloys in Hanks’*** studied UHP Mg-0.5Ge and UHP Mg-1Ge alloys showed superior corrosion resistance compared to UHP Mg and wE43,with the Mg-1Ge exhibiting the best corrosion *** exceptional corrosion resistance of the UHP alloy is attributed to(i)Mg_(2)Ge’s ability to suppress cathodic kinetics,(ii)Ge’s capability to accelerate the formation of a highly passive layer,and the(iii)low amounts of corrosion-accelerating impurities.

关键词： UHP Mg-Ge alloy Cathodic kinetics suppression Biodegradable metals In vitro corrosion Magnesium corrosion.

The future of artificial hibernation medicine:protection of nerves and organs after spinal cord injury

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Neural Regeneration Research 2024年第1期19卷 22-28页

作者： Caiyun Liu Haixin Yu Zhengchao Li Shulian chen Xiaoyin Li Xuyi chen Bo chen School of Acupuncture&Moxibustion and Tuina Tianjin University of Traditional Chinese MedicineTianjinChina Research Center of Experimental Acupucture Science Tianjin University of Traditional Chinese MedicineTianjinChina Characteristic Medical Center of Chinese People’s Armed Police Force TianjinChina Binhai New Area Hospital of TCM TianjinChina Fourth Teaching Hospital of Tianjin University of TCM TianjinChina

Spinal cord injury is a serious disease of the central nervous system involving irreversible nerve injury and various organ system *** present,no effective clinical treatment *** one of the artificial hibernation techniques,mild hypothermia has preliminarily confirmed its clinical effect on spinal cord ***,its technical defects and barriers,along with serious clinical side effects,restrict its clinical application for spinal cord *** hibernation is a futureoriented disruptive technology for human life *** involves endogenous hibernation inducers and hibernation-related central neuromodulation that activate particular neurons,reduce the central constant temperature setting point,disrupt the normal constant body temperature,make the body adapt"to the external cold environment,and reduce the physiological resistance to cold ***,studying the artificial hibernation mechanism may help develop new treatment strategies more suitable for clinical use than the cooling method of mild hypothermia *** review introduces artificial hibernation technologies,including mild hypothermia technology,hibernation inducers,and hibernation-related central neuromodulation *** summarizes the relevant research on hypothermia and hibernation for organ and nerve *** studies show that artificial hibernation technologies have therapeutic significance on nerve injury after spinal co rd injury through inflammatory inhibition,immunosuppression,oxidative defense,and possible central *** also promotes the repair and protection of res pirato ry and digestive,cardiovascular,locomoto r,urinary,and endocrine *** review provides new insights for the clinical treatment of nerve and multiple organ protection after spinal cord injury thanks to artificial *** present,artificial hibernation technology is not mature,and research fa ces various *** rtheless,the effort is wo rthwhi

关键词： artificial hibernation central thermostatic-resista nt regulation hypothermia multi-system protection neuroprotection organ protection spinal cord injury synthetic torpor

The Mixed-Mode Fatigue Crack Propagation Model of Piezoelectric Materials Under Electric Fatigue Loading by the jk-Integral

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Acta Mechanica Solida Sinica 2024年第4期37卷 634-641页

作者： Xianghua chen Chunguang wang Qun Li The Institute of Xi’an Aerospace Solid Propulsion Technology Xi’an710025China State Key Laboratory for Strength and Vibration of Mechanical Structures School of Aerospace EngineeringXi’an Jiaotong UniversityXi’an710049China

The electric fatigue load has a significant effect on the crack propagation behavior and failure life of piezoelectric materials and devices. In this paper, an electrical mixed-mode fatigue crack propagation model for piezoelectric materials is proposed based on the piezoelectric jk-integral theory. The crack initiation, propagation, and life prediction criteria of piezoelectric materials under electric fatigue loading are given by this model, and the finite element simulation model is established to study the electrical mixed-mode crack propagation behavior of piezoelectric structures. Meanwhile, the electrical mixed-mode fatigue crack propagation model is applied to the fatigue crack propagation behavior of a piezoelectric typical defective structure, the crack–hole interference model. The mixed-mode crack propagation, fatigue life, and the interference behavior between the crack and hole at various hole locations of the crack–hole interference model are well recognized by this model. The crack propagation behavior under different electrical load intensities is also considered. The results show that the hole in front of the crack tip inhibits crack propagation to a certain extent, and the strength of electrical load affects the fatigue life of piezoelectric materials and structures. Therefore, the proposed electrical mixed-mode fatigue crack propagation model provides a reference for predicting the mixed-mode fatigue crack propagation behavior and fatigue life of piezoelectric structures under electric fatigue loading.

关键词： Configurational force j k-integral Piezoelectric Mixed-mode crack propagation Life prediction