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Knotting ligands to control metal coordination geometry

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Science China Chemistry 2025年第2期68卷 403-404页

作者： Fabien B.l.Cougnon Department of Chemistry and Nanoscience Centre University of JyväskyläJyväskyläFinland

Zinc is a metal of particular importance for life[1].It is the most abundant transition metal in biological systems after iron and contributes both structural and catalytic roles to many cellular *** properties of Zn^(Ⅱ),unlike those of any other first-row transition metal ions,explain its biological *** to its filled d-shell orbitals,Zn^(Ⅱ) is redox-stable,has a ligand-field energy stabilization of zero and,consequently,no typical coordination number and *** metalloproteins exploit these features to carry a broad range of chemical reactions in mild *** metalloenzymes,unsaturated ZnII centres often act as redox-stable lewis *** protein backbone provides a highly preorganized environment around the metal centre and accompanies the changes in coordination geometry occurring as substrate transformation proceeds,thereby modulating the metal reactivity.

关键词： coordination geometry centre

Morphology and phylogeny of two species of Bathypathes from the tropical western Pacific,with description of a new species

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Journal of Oceanology and limnology 2025年第1期43卷 248-260页

作者： Ting lÜ Zifeng ZHAN Kuidong XU laboratory of Marine Organism Taxonomy and Phylogeny Qingdao Key Laboratory of Marine Biodiversity and ConservationInstitute of OceanologyChinese Academy of SciencesQingdao 266071China laboratory for Marine Biology and Biotechnology Laoshan LaboratoryQingdao 266237China University of Chinese Academy of Sciences Beijing 100049China

The black coral genus Bathypathes Brook,1889 represents a relatively diverse and ecologically important assemblage comprising the deep-sea hard substrate *** phylogenetic investigations have revealed the polyphyletic nature of Bathypathes,urging further morphological analysis to understand its *** combing morphological and molecular data,we describe Bathypathes multifurcata *** report *** Molodtsova,Opresko&Wagner,2022based on the specimens collected from the tropical western *** phylogenetic topology reconstructed using nuclear ITS1-5.8S-ITS2 and three mitochondrial fragments suggests the separation of Bathypathes into four *** analysis of morphological characters,particularly the colony branch and pinnule patterns also roughly classify Bathypathes into four morphological groups A–*** A is characterized by the unbranched colony and the subopposite arrangement of *** contrast to Group A,Groups B–D have the alternately arranged *** these,Group C exhibits a distinctly long unpinnulated stem compared to Groups B and *** B has unbranched colony,relatively short unpinnulated stem,and spines on pinnules have blunt *** Group D,large colonies(higher than 40 cm)have one or a few branches,small colonies(less than 40 cm)are unbranched,and spines on pinnules have acute *** data particularly those species without sequences are necessary to verify the classification of these groups.

关键词： Antipatharia black coral taxonomy phylogeny seamount western Pacific

Machine learning-assisted efficient design of Cu-based shape memory alloy with specific phase transition temperature

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International Journal of Minerals,Metallurgy and Materials 2024年第4期31卷 773-785页

作者： Mengwei Wu Wei Yong cunqin Fu Chunmei Ma Ruiping liu Department of Materials Science and Engineering China University of Mining&Technology(Beijing)Beijing 100083China Institute for Advanced Materials and Technology University of Science and Technology BeijingBeijing 100083China

The martensitic transformation temperature is the basis for the application of shape memory alloys(SMAs),and the ability to quickly and accurately predict the transformation temperature of SMAs has very important practical *** this work,machine learning(Ml)methods were utilized to accelerate the search for shape memory alloys with targeted properties(phase transition temperature).A group of component data was selected to design shape memory alloys using reverse design method from numerous unexplored *** modeling and feature modeling were used to predict the phase transition temperature of the shape memory *** experimental results of the shape memory alloys were obtained to verify the effectiveness of the support vector regression(SVR)*** results show that the machine learning model can obtain target materials more efficiently and pertinently,and realize the accurate and rapid design of shape memory alloys with specific target phase transition *** this basis,the relationship between phase transition temperature and material descriptors is analyzed,and it is proved that the key factors affecting the phase transition temperature of shape memory alloys are based on the strength of the bond energy between *** work provides new ideas for the controllable design and performance optimization of Cu-based shape memory alloys.

关键词： machine learning support vector regression shape memory alloys martensitic transformation temperature

Magnetosymbiosis discovery:new perspectives in magnetotaxis research

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Journal of Oceanology and limnology 2025年第1期43卷 177-186页

作者： Caroline l.MONTEIl Christopher T.lEFEVRE Aix-Marseille Université CEACNRSInstitute of Biosciences and Biotechnologies of Aix-MarseilleSaint-Paul-lez-Durance 13115France

Magnetotactic bacteria have been the only known magnetoreceptive microorganisms for *** if the existence of magnetotactic protists was suggested in 1986,this is only 30 years later that magnetotaxis was extended to the domain of Eukaryota,thanks to the characterization of magnetotactic symbiotic assemblies composed of a flagellated protist and bacteria biomineralizing magnetic *** mutualistic ectosymbiosis relies on a collective magnetotaxis coupled to a hydrogen-based *** new form of cooperation challenges our view of magnetic biomineralization in prokaryotes and magnetoreception in *** this review,we present how magnetosymbiosis was discovered and how cooperation ***,we discuss the future research and the new perspectives such discovery brought to the field of magnetotaxis.

关键词： magnetotaxis biomineralization symbiosis magnetotactic

Beginning from the end:the presynaptic terminal as a pathomechanism hub in frontotemporal dementia and amyotrophic lateral sclerosis

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Neural Regeneration Research 2025年第11期20卷 3217-3218页

作者： laura Huggon Emma l.Clayton UK Dementia Research Institute at King’s College london LondonUK Department of Basic and Clinical Neuroscience Institute of Psychiatry Psychology&NeuroscienceKing’s College LondonLondonUK

Frontotemporal dementia and amyotrophic lateral sclerosis:Frontotemporal dementia(F T D)and amyo t rophic lateral sclerosis(AlS)are neurodegenerative diseases with significant overlapping *** these neurodegenerative diseases affect different neuronal populations(with FTD affecting neurons of the frontal and temporal lobes,and AlS affecting upper and lower motor neurons),these two diseases are complexly *** and AlS exist on a disease spectrum,with shared genetic causes,clinical presentations,and pathologies.

关键词： diseases amyotrophic sclerosis

Seismites of the late Triassic lockatong Formation,Pennsylvania,USA:implications for Newark Basin border fault movement

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Journal of Palaeogeography 2025年第1期14卷 1-14页

作者： Edward l.Simpson Michael C.Wizevich David l.Fillmore Department of Physical Sciences Kutztown University of Pennsylvania Department of Earth and Space Sciences Central Connecticut State University

Numerous soft-sediment deformation structures(SSDS) within thin-bedded, heterolithic lacustrine shoreline deposits of the Upper Triassic Tumble Falls Member, lockatong Formation of eastern Pennsylvania, demonstrate liquefaction, fluidization and shearing features processes affecting sediment. This study employs thin-section analysis of SSDS to interpret them as probable seismites from the Triassic-Jurassic Newark Basin. Sedimentary structures include right-lateral offset of desiccation cracks and ichnofossils, thrust,reverse, and normal faults with mm-scale offsets, horsts and grabens, lateral spreads, and single and complex multiple networks of dikes and sills and associated sedimentary volcanoes, thin mudflows on a paleosurface linked to sediment dikes, load and flame structures, ball and pillow structures, recumbent folds, and incipient breccias. Dike fill consists of mudstone, angular sedimentary clasts, sandstone margins with mudstone cores,and plastically deformed sediment fill. The SSDS indicate that late Triassic lacustrine shoreline sediments were subjected to forces, probably compressive with a minimal shear component reflected in the offset of the dikes and ichnofossils, that induced liquefaction followed by fluidization and vertical movement of *** forces that altered sediment vertical stability, leading to deformation of the sediment included gravitationally unstable density gradients, vertical shear stress, and gravitational body forces. SSDS can be induced by seismic and aseismic processes. However, this unique combination of forces and resulting sedimentary structures indicate an origin by earthquake activity, likely produced by the nearby, active Newark Basin border fault system. The lockatong Formation SSDS seismites improve our understanding via thin section analysis of the rheology and preservation potential of SSDS in lacustrine shoreline deposits, critical for the geologic history of Newark Basin, as well as the refinement for paleos

关键词： Seismites Triassic lockatong Formation lacustrine Soft-sediment deformation structures

A DFT＋U Investigation on Methylamine Decomposition Catalyzed by Pt4 Cluster Supported on Oxygen Defective Rutile（110） TiO2

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Chemical Research in Chinese Universities 2017年第3期33卷 406-414页

作者： lU cunqin lIU Jianhong JIN Chun GUO Yong WANG Guichang College of Chemistry and Enviromental Engineering Shanxi Datong University Datong 037009 P. R. China Key laboratory of Advanced Energy Materials Chemistry Ministry of Education Nankai University Tianjin 300071 P. R. China Department of Chemistry and Center of Theoretical Chemistry Study Nankai University Tianjin 300071 P. R. China

The adsorption and decomposition mechanisms of methylamine catalyzed by Pt4 cluster supported on ruffle（110） titania[namely, Pt4/TiO2-R（110）] were investigated via density functional theory slab calculations with Hubbard corrections（DFT＋U）. The adsorption energies under the most stable configuration of the possible species and the energy barriers of the possible elementary reactions involved in methylamine decomposition were obtained. Through systematic calculations for the reaction mechanism of methylamine decomposition on the PtVTiO2-R（110）, the most possible decomposition path is CHaNH2→CH2NH2＋H→CH2NH＋2H→CHNH＋3H→HCN＋4H→CN＋5H, which is similar to that of methylamine dissociation catalyzed by Pt（100） surface.

关键词： Pt4 cluster Methylamine decomposition Titania Density functional theory slab calculations with Hubbard correction

Force and impulse multi-sensor based on flexible gate dielectric field effect transistor

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 214-220页

作者： Chao Tan Junling lü Chunchi Zhang Dong liang lei Yang Zegao Wang College of Materials Science and Engineering Sichuan UniversityChengdu 610065China The 54th Research Institute of China Electronics Technology Group Corporation Shijiazhuang 050081China

Nowadays,force sensors play an important role in industrial production,electronic information,medical health,and many other ***-dimensional material-based filed effect transistor(2D-FET)sensors are competitive with nano-level size,lower power consumption,and accurate ***,few of them has the capability of impulse detection which is a path function,expressing the cumulative effect of the force on the particle over a period of *** we fabricated the flexible polymethyl methacrylate(PMMA)gate dielectric MoS_(2)-FET for force and impulse sensor *** systematically investigated the responses of the sensor to constant force and varying forces,and achieved the conversion factors of the drain current signals(I_(ds))to the detected impulse(I).The applied force was detected and recorded by I_(ds)with a low power consumption of~30 *** sensitivity of the device can reach~8000%and the 4×1 sensor array is able to detect and locate the normal force applied on ***,there was almost no performance loss for the device as left in the air for two months.

关键词： flexible gate dielectric transistor force sensor impulse sensor force sensor array

Viscosity and structure relationship with equimolar substitution of CaO with MgO in the CaO–MgO–Al_(2)O_(3)–SiO_(2)slag melts

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 70-79页

作者： Yong Hou Shuo Zhang Jie Dang Jia Guo Hanghang Zhou Xuewei lü College of Materials Science and Engineering Chongqing UniversityChongqing 400044China Chongqing Key laboratory of Vanadium-Titanium Metallurgy and New Materials Chongqing UniversityChongqing 400044China

Currently,the Al_(2)O_(3)content in the high-alumina slag systems within blast furnaces is generally limited to 16wt%–18.5wt%,making it challenging to overcome this *** most studies that concentrated on managing the MgO/Al_(2)O_(3)ratio or basicity,this paper explored the effect of equimolar substitution of MgO for CaO on the viscosity and structure of a high-alumina CaO-MgO-Al_(2)O_(3)-SiO_(2)slag system,providing theoretical guidance and data to facilitate the application of high-alumina *** results revealed that the viscosity first decreased and then increased with higher MgO substitution,reaching a minimum at 15mol%MgO *** transform infrared spectroscopy(FTIR)results found that the depths of the troughs representing[SiO_(4)]tetrahedra,[AlO_(4)]tetrahedra,and Si-O-Al bending became progressively deeper with increased MgO *** of the Raman spectra showed that the average number of bridging oxygens per Si atom and the X_(Q^(3))/X_(Q^(2))(X_(Q^(i))is the molar fraction of Q^(i) unit,and i is the number of bridging oxygens in a[SiO_(4)]tetrahedral unit)ratio increased from 2.30 and 1.02 to 2.52 and 2.14,respectively,indicating a progressive polymerization of the silicate structure.X-ray photoelectron spectroscopy(XPS)results highlighted that non-bridging oxygen content decreased from 77.97mol% to 63.41mol% with increasing MgO concentration,whereas bridging oxygen and free oxygen contents *** analysis demonstrated a gradual increase in the polymerization degree of the tetrahedral structure with the increase in MgO ***,bond strength is another important factor affecting the slag *** occurrence of a viscosity minimum can be attributed to the complex evolution of bond strengths of non-bridging oxygens generated during depolymerization of the[SiO_(4)]and[AlO_(4)]tetrahedral structures by CaO and MgO.

关键词： aluminosilicate viscosity structure spectroscopy