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Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods

Chinese Chemical Letters 2024年第2期35卷 352-357页

作者： Yingli Zhu Jie Qian Kunqian Yu jing Hou Yeshuo ma Fei Chen Jie Dong Wenbin Zeng Xiangya School of Pharmaceutical Sciences Central South UniversityChangsha 410083China National Engineering Research Center of Rice and Byproduct Deep Processing School of Food Science and EngineeringCentral South University of Forestry and TechnologyChangsha 410004China State Key Laboratory of Drug Research Drug Discovery and Design CenterShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Department of Geriatrics Third Xiangya HospitalCentral South UniversityChangsha 410013China

Multifunctional molecules with both optical signal and pharmacological activity play an important role in drug development,disease diagnosis,and basic theoretical *** N(APN),as a representative tumor biomarker with anti-tumor potential,still lacks a high-precision theranostic probe specifically targeting *** this study,a novel quaternity design strategy for APN theranostic probe was *** proposed strategy utilizes advanced machine learning and molecular dynamics simulations,and cleverly employs the strategy of conformation-induced fluorescence recovery to achieve multi-objective optimization and integration of functional *** this strategy,a unique“Off-On”theranostic probe,ABTP-DPTB,was ingeniously constructed to light up APN through fluorescence restoration,relying on conformation-induced effects and solvent *** from the common diagnostic probes,the intelligent design with non-substrated linkage makes ABTP-DPTB for long-term in-situ *** fabricated probe was used for detecting and inhibiting APN in various environments,with a better in vitro inhibitory than golden-standard drug bestatin.

关键词： Theranostic probe Artificial intelligence Conformational restriction Fluorescence restoration Design strategy

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Labial inverse dilaceration of bilateral maxillary central incisors: A case report

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World Journal of Clinical Cases 2024年第1期12卷 180-187页

作者： Jun-Min Wang Li-Feng Guo Li-Qiong ma jing Zhang Stomatological Hospital and College Key Laboratory of Oral Diseases Research of Anhui ProvinceAnhui Medical UniversityHefei 230032Anhui ProvinceChina Stomatological Hospital and College Anhui Medical UniversityHefei 230032Anhui ProvinceChina

BACKGROUND Dilaceration is a rare dental developmental anomaly characterized by an abrupt deviation along the longitudinal axis of the root in which an angulation forms between the root and the ***,we report on dilacerated bilateral maxi-llary central incisors in mixed *** SUMmaRY A 10-year-old girl presented with a chief complaint of unerupted central *** oral examination and radiography provided the basis for a diagnosis of dilaceration of the maxillary central *** surgical exposure of the impacted teeth,a button with an attached chain was applied to the palatal surface of teeth 11 and *** 8 mo,a button was bonded to the labial surface of the crown to fix an elastic chain and move the teeth toward the maxillary ***,a fixed appliance was applied to tooth alignment to Class 1 malocclusion using a 0.019×0.025-inch nickel-titanium *** 3 years of follow-up,the clinical findings and radiographic assessment showed that the roots had developed with vital dental pulp and healthy periodontium,were acceptable aesthetically,and showed no *** The rare occurrences of dilacerated bilateral maxillary central incisors can be successfully treated through surgical exposure and orthodontics.

关键词： Dilaceration Traumatic injury Central incisors Child Primary tooth Case report

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Microfacies and diagenetic alteration in a semi-deep to deep lacustrine shale: The Yanchang Formation in the Ordos Basin, China

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Petroleum Science 2024年第3期21卷 1524-1538页

作者： Bin Bai jing-Yue Hao Ling Fu Yu-Xi Liu Jian-Peng Wang Lan Wang Kevin GTaylor Lin ma PetroChina Research Institute of Petroleum Exploration and Development Beijing100083China Department of Earth and Environmental Sciences University of ManchesterM139PLUK College of Earth Sciences Jilin UniversityChangchun130061jilinChina Department of Chemical Engineering University of ManchesterM139PLUK

The mineralogical development and diagenetic sequence of lacustrine shales in the Chang 7 Member of the Yanchang Formation in the Ordos Basin are detailed studied.A model of their depositional system and a diagenetic diagram are proposed in this *** detailed petrographic,mineralogical,and elemental analyses,four distinct shale types are identified:argillaceous shale,siliceous shale,calcareous shale,and carbonate,clay,and silt-bearing *** main diagenetic process in argillaceous shale is the transformation of illite to smectite,negatively impacting shale *** shale undergoes carbonate cementation and quartz dissolution,contributing to increased porosity,particularly in *** shale experiences diagenesis characterised by carbonate formation and dissolution,with a prevalence of *** carbonate,clay,and silt-bearing shale,the dissolution of K-feldspar contributes to illitization of *** shale,characterised by more clay minerals and lower mesopore volume,is identified as a potential hydrocarbon *** shale,with the highest pore volume and abundant inter-mineral pores,emerges as a promising shale oil *** findings contribute to a comprehensive understanding of shale properties,aiding in the prediction of shale oil exploration potential in the studied area.

关键词： Ordos Basin Yanchang Formation Chang 7 Member Diagenesis Microfacies

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Mechanism research progress on transition metal compound electrode materials for supercapacitors

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Rare Metals 2024年第9期43卷 4076-4098页

作者： Zhi-Hui Xu Xue-Lei Li Qing-Wen Li kai Lv jing-Shun Liu Xiu-Kun Hang Aruuhan Bayaguud School of materials Science and Engineering Inner Mongolia University of Technology School of materials Science and Engineering Tianjin University of Technology College of Chemistry and Chemical Engineering Inner Mongolia University

Supercapacitors(SCs) have remarkable energy storage capabilities and have garnered considerable interest due to their superior power densities and ultra-long cycling characteristics. However, their comparatively low energy density limits their extensive application in large-scale commercial applications. Electrode materials directly affect the performance of SCs. Thus, the development of cutting-edge electrode materials and modification of their morphological and structural properties are vital for advancing the performance of SCs. Transition metal compounds have a high specific capacity and good cycling durability, making them the most promising electrode active materials for high-energy density SCs. Nevertheless,their inadequate conductivity, unfavorable ion diffusion rates, substantial volume expansion and phase transitions during charging and discharging are obstacles to their stable and efficient integration into SCs. To address these challenges, this study provides a comprehensive summary of the current advancements in transition metal nanomaterials as electrode materials for SCs, an overview of the current research status, and the prevailing ***, this study highlights synthetic techniques and management strategies for electrode materials derived from transition metal compounds, targeting the resolution of the aforementioned challenges. Finally, a concise discussion is provided on the future directions of SC development, with an emphasis on the utilization of transition metal compound electrode materials.

关键词： Electrodes

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Optimizing surgical approaches for lacrimal gland adenoid cystic carcinoma to minimize cross-organ invasion

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International Journal of Ophthalmology(English edition) 2024年第10期17卷 1949-1952页

作者： Ming-Shen ma Ting-Ting Ren Fu-Xiao Luan jing Li Nan Wang Yong Tao Jian-Min ma Department of Ophthalmology Beijing Chaoyang HospitalCapital Medical UniversityBeijing 100027China Department of Ocular Oncology Beijing Tongren HospitalCapital Medical UniversityBeijing 100005China Gies College of Business University of Illinois at Urbana-ChampaignChampaignIL 61820United States

AIM:To evaluate the outcomes of eye-sparing surgery for lacrimal gland adenoid cystic carcinoma and the impact on tumor recurrence and orbital ***:The study enrolled four patients with recurrent lacrimal gland adenoid cystic *** outcome focused on the relevance of the integrity of the lateral orbital wall to the occurrence of extraorbital metastasis in the local recurrence of lacrimal gland adenoid cystic ***:Three patients underwent eye-sparing surgery via lateral orbitotomy without postoperative radiotherapy,and one patient who underwent eye-sparing surgery via sub-brow *** four patients all demonstrated a recurrence involving the invasion of extraorbital tissues as metastatic form through surgical bone ***:Preserving intact orbital bone tissue is crucial for mitigating direct cross-organ metastasis of lacrimal gland adenoid cystic *** findings suggest avoiding the lateral orbitotomy approach with no or limited orbital bone wall invasion.

关键词： lacrimal gland adenoid cystic carcinoma recurrence eye-sparing surgery

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Cation-πinteractions regulate electrocatalytic water oxidation over iridium single atoms supported on conjugated polymers

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Science China Chemistry 2024年第6期67卷 2063-2069页

作者： jing Bai Yunxia Liu Ziwei ma Shouhan Zhang Guojie Chao Haiping Lin Elke Debroye Longsheng Zhang Tianxi Liu Key Laboratory of Synthetic and Biological Colloids Ministry of EducationSchool of Chemical and Material EngineeringJiangnan UniversityWuxi214122China School of Chemistry and Chemical Engineering Northwestern Polytechnical UniversityXi’an710072China School of Physics and Information Technology Shanxi Normal UniversityXi’an710062China Department of Chemistry KU LeuvenCelestijnenlaan 200FLeuven3001Belgium

Designing cost-effective and high-performing metal catalysts is significant for many renewable energy conversion *** metal loading without sacrificing activity and durability is highly desired for the catalyst design,especially for those reactions where the noble metals deliver the best catalyzing ***-atom catalysts(SACs)with maximal metalatom utilization,homogeneous and tailorable active sites have emerged as promising catalyst candidates,where the local coordination structures of the metal atoms in SACs largely determine the reaction *** design strategies of constructing strong metal-support interactions can stabilize the individual metal atoms in SACs,but present obstacles to provide a flexible manipulation platform for elaborately tailoring the coordination structures to achieve performance optimization towards a specifically targeted ***,for the proof-of-concept study,we report a novel design of SAC with iridium(Ir)single atoms supported on conjugated polymer,in which the adsorption energies of reaction intermediates on Ir atoms and the reaction kinetics towards acidic water oxidation can be readily optimized through modulating the formed cation-πinteractions that can be tailored by adjusting the molecular structures of conjugated *** strategy establishes a general route to develop targeted SACs for various catalytic reactions.

关键词： conjugated polymers single-atom catalysts cation-πinteractions oxygen evolution reaction

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Assessment of soil total phosphorus storage in a complex topography along China's southeast coast based on multiple mapping scales

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Pedosphere 2024年第1期34卷 236-251页

作者： Zhongxing CHEN jing LI kai HUANG Miaomiao WEN Qianlai ZHUANG Licheng LIU Peng ZHU Zhenong JIN Shihe XING Liming ZHANG Fujian Provincial Key Laboratory of Soil Environmental Health and Regulation College of Resources and EnvironmentFujian Agriculture and Forestry UniversityFuzhou 350002China State Key Laboratory of Atmospheric Boundary Layer Physics and Atmospheric Chemistry Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China Guangxi Zhuang Autonomous Region Plant Protection Station Nanjing 530022China Department of Earth Atmosphericand Planetary SciencesPurdue UniversityWest Lafayette IN47907US Department of Bioproducts and Biosystems Engineering University of Minnesota-Twin CitiesSaint Paul MN 55108USA Department of Geography The University of Hong KongHong Kong 999077China

Soil phosphorus (P) plays a vital role in both ecological and agricultural ecosystems, where total P (TP) in soil serves as a crucial indicator of soil fertility and quality. Most of the studies covered in the literature employ a single or narrow range of soil databases, which largely overlooks the impact of utilizing multiple mapping scales in estimating soil TP, especially in hilly topographies. In this study, Fujian Province, a subtropical hilly region along China’s southeast coast covered by a complex topographic environment, was taken as a case study. The influence of the mapping scale on soil TP storage (TPS)estimation was analyzed using six digital soil databases that were derived from 3 082 unique soil profiles at different mapping scales, i.e., 1:50 000 (S5),1:200 000 (S20), 1:500 000 (S50), 1:1 000 000 (S100), 1:4 000 000 (S400), and 1:10 000 000 (S1000). The regional TPS in the surface soil (0–20 cm) based on the S5, S20, S50, S100, S400, and S1000 soil maps was 20.72, 22.17, 23.06, 23.05, 22.04, and 23.48 Tg, respectively, and the corresponding TPS at0–100 cm soil depth was 80.98, 80.71, 85.00, 84.03, 82.96, and 86.72 Tg, respectively. By comparing soil TPS in the S20 to S1000 maps to that in the S5map, the relative deviations were 6.37%–13.32%for 0–20 cm and 0.33%–7.09%for 0–100 cm. Moreover, since the S20 map had the lowest relative deviation among different mapping scales as compared to S5, it could provide additional soil information and a richer soil environment than other smaller mapping scales. Our results also revealed that many uncertainties in soil TPS estimation originated from the lack of detailed soil information, i.e., representation and spatial variations among different soil types. From the time and labor perspectives, our work provides useful guidelines to identify the appropriate mapping scale for estimating regional soil TPS in areas like Fujian Province in subtropical China or other places with similar complex topographies. Moreover,

关键词： agricultural management appropriate mapping scale digitized conventional soil map estimation uncertainty subtropical hilly region

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Hydrogen and nitrogen absorption properties of Ce-added Zr_(2)(Fe_(1-x)Ni_(x)) alloys

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Journal of Rare Earths 2024年第6期42卷 1136-1141,I0005页

作者： kai Yin Xiaopeng Liu State Key Laboratory of Advanced materials for Smart Sensing GRINM Group Co.Ltd.Beijing10088China GRImaT Engineering Institute Co. Ltd.Beijing101407China General Research Institute of Nonferrous Metals Beijing100088China

To improve the nitriding resistance of Zr_(2)Fe alloy,the Ce-added Zr_(2)(Fe_(1-x)Ni_(x))(x=0,0.15,0.3,0.5)alloys were prepared by magnetic levitation melting *** effects of Ni substitution for Fe on the phase structure,hydrogen and nitrogen absorption properties of the alloys were investigated by X-ray diffraction,scanning electron microscopy and p-c isotherm *** experimental results show that Ni substitution can effectively inhibit the formation of both α-Zr and ZrFe_(2) phases and promote the formation of C16 structure Zr_(2)(Fe,Ni)phase,causing Ni-substituted alloys to exhibit low nitrogen absorption rate and *** 623 K under 0.5 MPa nitrogen pressure,the nitrogen absorption capacity of Ce-added Zr_(2)(Fe_(0.5)Ni_(0.5))alloy reaches to 0.8 mL/g,much lower than that of Zr_(2)Fe alloy(1.5 mL/g).Ni substitution decreases the crystal cell volume of the C_(16)Zr_(2)(Fe,Ni)phase,resulting in an increase in the hydrogen absorption equilibrium *** 623 K under 0.05 MPa hydrogen pressure,the hydrogen absorption capacity decreases from 1.46 wt%of Zr_(2)Fe alloy to 1.41 wt%of Ce-added Zr_(2)(Fe_(0.5)Ni_(0.5))alloy.

关键词： Zr_(2)Fe alloy Ce Pressure-composition isotherm Hydrogen absorption Nitrogen absorption Rare earths

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Salicylic acid positively regulates maize defenses against lepidopteran insects

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Plant Diversity 2024年第4期46卷 519-529页

作者： Yohannes Besufekad Setotaw jing Li Jinfeng Qi Canrong ma Mou Zhang Cuilian Huang Lei Wang Jianqiang Wu Department of Economic Plants and Biotechnology Yunnan Key Laboratory for Wild Plant ResourcesKunming Institute of BotanyChinese Academy of SciencesKunming 650201China CAS Center for Excellence in Biotic Interactions University of Chinese Academy of SciencesBeijing 100049China State Key Laboratory of Plant Diversity and Specialty Crops Beijing 100093China

In response to insect attack,plants use intricate signaling pathways,including phytohormones,such as jasmonate(JA),ethylene(ET),and salicylic acid(SA),to activate ***(Zea mays)is one of the most important staple food crops around the *** studies have shown that the JA and ET signaling play important roles in maize defense against insects,but little is known about whether and how SA regulates maize resistance to insect *** this study,we ectopically expressed the NahG(salicylate hydroxylase)gene in maize plants(NahG maize)to block the accumulation of *** was found that compared with the wild-type(WT)maize,the NahG-maize exhibited decreased resistance to the generalist insects Spodoptera litura and Spodoptera frugiperda and the specialist Mythimna separata,and the compromised resistance in the NahG maize was associated with decreased levels of defensive metabolites benzoxazinoids(Bxs)and chlorogenic acid(CA).Quantification of simulated *** feedinginduced JA,JA-isoleucine conjugate(JA-Ile),and ET in the WT and NahG maize indicated that SA does not regulate JA or JA-Ile,but positively controls *** provide evidence suggesting that the SA pathway does not crosstalk with the JA or the ET signaling in regulating the accumulation of Bxs and *** analysis revealed that the bHLH,ERF,and WRKY transcription factors might be involved in SAregulated *** study uncovers a novel and important phytohormone pathway in maize defense against lepidopterous larvae.

关键词： Benzoxazinoids Salicylic acid Herbivory maize Transcriptome

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Phase-Dislocation-Mediated High-Dimensional Fractional Acoustic-Vortex Communication

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Research 2024年第3期2023卷 575-584页

作者： Ruijie Cao Gepu Guo Wei Yue Yang Huang Xinpeng Li Chengzhi kai Yuzhi Li Juan Tu Dong Zhang Peng Xi Qingyu ma School of Computer and Electronic Information Nanjing Normal UniversityNanjing 210023China Department of Biomedical Engineering College of Future TechnologyPeking UniversityBeijing 100871China nstitute of Acoustics Nanjing UniversityNanjng 210093China National Biomedical Imaging Center Peking UniversityBeijing 100871China

With unlimited topological modes in mathematics,the fractional orbital angular momentum(FOAM)demonstrates the potential to infinitely increase the channel capacity in acoustic-vortex(AV)***,the accuracy and stability of FOAM recognition are still limited by the nonorthogonality and poor anti-interference of fractional AV *** popular machine learning,widely used in optics based on large datasets of images,does not work in acoustics because of the huge engineering of the 2-dimensional point-by-point ***,we report a strategy of phase-dislocation-mediated high-dimensional fractional AV communication based on pair-FOAM multiplexing,circular sparse sampling,and machine *** unique phase dislocation corresponding to the topological charge provides important physical guidance to recognize FOAMs and reduce sampling points from theory to practice.A straightforward convolutional neural network considering turbulence and misalignment is further constructed to achieve the stable and accurate communication without involving experimental *** experimentally present that the 32-point dual-ring sampling can realize the 10-bit information transmission in a limited topological charge scope from±0.6 to±2.4 with the FOAM resolution of 0.2,which greatly reduce the divergence in AV *** infinitely expanded channel capacity is further verified by the improved FOAM resolution of *** with other milestone works,our strategy reaches 3-fold OAM utilization,4-fold information level,and 5-fold OAM *** of the extra advantages of high dimension,high speed,and low divergence,this technology may shed light on the next-generation AV communication.

关键词： infinitely topological fractional

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