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Predicting microbial extracellular electron transfer activity in paddy soils with soil physicochemical properties using machine learning

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Science china(Technological Sciences) 2024年第1期67卷 259-270页

作者： OU jiajun LUO XiaoShan liu junYang HUANG LinYan ZHOU LiHua YUAN Yong School of Automation Guangdong University of TechnologyGuangzhou 510006China Guangdong Key Laboratory of environmental catalysis and Health Risk control Guangzhou Key Laboratory Environmental Catalysis and Pollution ControlSchool of Environmental Science and EngineeringInstitute of Environmental Health and Pollution ControlGuangdong University of TechnologyGuangzhou 510006China School of Biomedical and Pharmaceutical Sciences Guangdong University of TechnologyGuangzhou 510006China

Soil extracellular electron transfer(EET)is a pivotal biological process within the realm of ***,EET suffers from a lack of predictive ***,an intricately crafted machine learning model has been developed for the purpose of predicting soil EET by using the physicochemical properties of soil as independent input variables and the EET capabilities in terms of current density(j_(max))and coulombic charge(c_(out))as dependent output *** autoencoder ensemble stacking(AES)model was developed to address the aforementioned issue by integrating support vector machine,multilayer perceptron,extreme gradient boosting,and light gradient boosting machine algorithms as the stacking *** 10-fold crossvalidation,the AES model exhibited notable improvements in predicting j_(max)and c_(out),with average test R^(2)values of 0.83 and 0.84,respectively,surpassing those of single machine learning(ML)models and the basic ensemble *** utilizing partial correlation plots(PDPs),Shapley Additive explanations(SHAP)values,and SHAP decision plots,we quantitatively explained the impact and contribution of the input molecules on the AES model’s predictions of j_(max)and c_(out).In the context of the SHAP method for the AES model,total carbon(Tc)was identified as the most correlated descriptor for j_(max),while total organic carbon(TOc)stood out as the most relevant descriptor for c_(out).In the prediction tasks of j_(max)and c_(out)within the AES model,employing a multitask ML approach allowed the model to benefit from the shared information of input variables,thereby enhancing its overall *** study provides a feasible tool for the prediction of soil EET from soil physiochemical properties and an advanced understanding of the relationship between soil physiochemical properties and EET capability.

关键词： extracellular electron transfer paddy soil machine learning prediction autoencoder ensemble stacking model

A high-entropy-designed cathode with V^(5+)-V^(2+) multi-redox for high energy density sodium-ion batteries

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journal of energy chemistry 2024年第10期97卷 429-437,I0008页

作者： Xiang Ding Xiaofen Yang Yibing Yang Liangwei liu Yi Xiao Lili Han college of chemistry and Materials Science Fujian Normal University.Fuzhou 350007FujianChina State Key Laboratory of Structural chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002FujianChina

Na_(3)V_(2)(PO_(4))_(3)(NVP)is gifted with fast Na^(+)conductive NASIcON *** it still suffers from low electronic conductivity and inadequate energy ***,a high-entropy modification strategy is realized by doping V^(3+)site with Ga^(3+)/cr^(3+)/Al^(3+)/Fe^(3+)/In^(3+)simultaneously(***_(3)V_(2-x)(GacrAlFeIn)_x(PO_(4))_(3);x=0,0.04,0.06,and 0.08)to stimulate the V^(5+)■V^(2+)reversible multi-electron *** configuration high-entropy can effectively suppress the structural collapse,enhance the redox reversibility in high working voltage(4.0 V),and optimize the electronic induced *** in-situ X-ray powder diffraction and in-situ electrochemical impedance spectroscopy tests efficaciously confirm the robust structu ral recovery and far lower polarization throughout an entire charge-discharge cycle during 1.6-4.3 V,***,the density functional theory calculations clarify the stronger metallicity of high-entropy electrode than the bare that is derived from the more mobile free electrons surrounding the vicinity of Fermi *** grace of high-entropy design and multi-electron transfer reactions,the optimal Na_(3)V_(1.7)(GacrAlFeIn)_(0.06)(PO_(4))_(3)can exhibit perfect cycling/rate performances(90.97%@5000 cycles@30 c;112 mA h g^(-1)@10 c and 109 mA h g^(-1)@30 c,2.0-4.3 V).Furthermore,it can supply ultra-high185 mA h g^(-1)capacity with fa ntastic energy density(522 W h kg^(-1))in half-cells(1.4-4.3 V),and competitive capacity(121 mA h g^(-1))as well as energy density(402 W h kg^(-1))in full-cells(1.6-4.1 V),demonstrating enormous application potential for sodium-ion batteries.

关键词： Na_(3)V_(2)(PO_(4))_(3) High-entropy V^(5+)■V^(2+)multi-redox High energy density Sodium-ion batteries

Multinuclear MR and MRI study of lithium-ion cells using a variable field magnet and a fixed frequency RF probe

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Magnetic Resonance Letters 2024年第1期4卷 10-20页

作者： Andrés Ramírez Aguilera Florin Marica Kevin j.Sanders Md Al Raihan c.Adam Dyker Gillian R.Goward Bruce *** UNB MRI centre Department of PhysicsUniversity of New BrunswickFrederictonNew BrunswickE3B 5A3Canada Department of chemistry McMaster UniversityHamiltonOntarioL8S 4L8Canada Department of chemistry University of New BrunswickFrederictonNew BrunswickE3B 5A3Canada

An exploratory multinuclear magnetic resonance(MR)and magnetic resonance imaging(MRI)study was performed on lithium-ion battery cells with ^(7)Li,^(19)F,and ^(1)H measurements.A variable field superconducting magnet with a fixed frequency parallel-plate radiofrequency(RF)probe was employed in the *** magnetic field was changed to set the resonance frequency of each nucleus to the fixed RF probe frequency of 33.7 *** cartridge-like lithium-ion cells,with graphite anodes and LiNi_(0.5)Mn_(0.3)co_(0.2)O_(2)(NMc)cathodes,were *** cell was pristine,and one was charged to a cell voltage of 4.2 *** results presented demonstrate the great potential of the variable field magnet approach in multinuclear measurement of lithium-ion *** methods open the door for developing faster and simpler methods for detecting,quantifying,and interpreting MR and MRI data from lithium-ion and other batteries.

关键词： Multinuclear MR/MRI Variable field magnet Lithium-ion battery Parallel-plate rf probe

enhancing 3D Reconstruction Accuracy of FIB Tomography Data Using Multi‑voltage Images and Multimodal Machine Learning

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Nanomanufacturing and Metrology 2024年第1期7卷 48-60页

作者： Trushal Sardhara Alexander Shkurmanov Yong Li Lukas Riedel Shan Shi christian j.cyron Roland c.Aydin Martin Ritter Institute for continuum and Material Mechanics Hamburg University of TechnologyHamburgGermany Electron Microscopy Unit Hamburg University of TechnologyHamburgGermany Institute of Materials Physics and Technology Hamburg University of TechnologyHamburgGermany Institute of Materials Mechanics Helmholtz-Zentrum HereonGeesthachtGermany Research Group of Integrated Metallic Nanomaterials Systems Hamburg University of TechnologyHamburgGermany Institute of Material Systems Modeling Helmholtz-Zentrum HereonGeesthachtGermany

FIB-SEM tomography is a powerful technique that integrates a focused ion beam(FIB)and a scanning electron microscope(SEM)to capture high-resolution imaging data of *** approach involves collecting in-plane SEM imagesand using FIB to remove material layers for imaging subsequent planes,thereby producing image ***,theseimage stacks in FIB-SEM tomography are subject to the shine-through effect,which makes structures visible from theposterior regions of the current *** artifact introduces an ambiguity between image intensity and structures in thecurrent plane,making conventional segmentation methods such as thresholding or the k-means algorithm *** study,we propose a multimodal machine learning approach that combines intensity information obtained at differentelectron beam accelerating voltages to improve the three-dimensional(3D)reconstruction of *** treatingthe increased shine-through effect at higher accelerating voltages as a form of additional information,the proposed methodsignificantly improves segmentation accuracy and leads to more precise 3D reconstructions for real FIB tomography data.

关键词： Multimodal machine learning Multi-voltage images FIB-SEM Overdeterministic systems 3D reconstruction FIB tomography

A detailed comparison of the composition of(RE)-Ba-cu-O-Ag bulk superconductors

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Superconductivity 2024年第1期9卷 87-94页

作者： j.V.j.congreve Y.Shi A.R.Dennis H.Druiff N.c.Tutt D.A.cardwell j.H.Durrell Department of engineering University of CambridgeCambridgeUK

The homogeneity of the microstructure and composition are critical in determining the properties of rare earthbarium‐cuprate,single grain bulk superconductors[(RE)BcO].The magnitude of the trapped magnetic field achieveable in these technologically important materials,in particular,is influenced heavily by the size and distribution of(RE)_(2)BacuO_(x)(RE‐211)flux pinning inclusions in the bulk microstructure,whereas the size and distribution of silver agglomerates present within the bulk superconducting matrix correlate directly with improved mechanical *** careful engineering,these materials have significant potential for application in range of devices related to energy storage,medicine,electro‐magnetic machinery and microelectronic *** of(RE)BcO bulk superconductors typically involves heating a powder compact above its peritectic decomposition temperature followed by slow cooling to facilitate the growth of a single ***(RE)BcO composition has a different peritectic temperature and growth rate,which,therefore,necessitates different requirements in the heating *** fabrication temperature and growth rate,for example,may have an effect on the RE‐211 and silver distribution,which may,in turn,affect the superconducting properties of the resulting single *** this work we compare the distributions of silver and RE‐211 in the single grain microstructures of YBcOAg,GdBcO‐Ag,EuBcO‐Ag and SmBcO‐Ag bulk superconductors using optical microscopy,scanning electron microscopy and energy dispersive X‐ray *** observe that the distributions are very similar along both the a/b‐axis and c‐axis of these *** suggests that factors other than the maximum temperature used to achieve peritectic decomposition and the rate of single grain growth are particularly influential in determining the properties of the as‐processed samples in the top seeded melt growth *** observation demonstrates there is freedom to us

关键词： YBcO‐Ag GdBcO‐Ag SmBcO‐Ag EuBcO‐Ag composition Bulk superconductor

A facile strategy for tuning the density of surface-grafted biomolecules for melt extrusion-based additive manufacturing applications

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Bio-Design and Manufacturing 2024年第3期7卷 277-291页

作者： I.A.O.Beeren G.Dos Santos P.j.Dijkstra c.Mota j.Bauer H.Ferreira Rui L.Reis N.Neves S.camarero-Espinosa M.B.Baker L.Moroni Department of complex Tissue Regeneration MERLN Institute for Technology-Inspired Regenerative MedicineMaastricht University6229 ER MaastrichtThe Netherlands 3B’s Research Group I3Bs–Research Institute on BiomaterialsBiodegradables and BiomimeticsHeadquarters of the European Institute of Excellence on Tissue Engineering and Regenerative MedicineUniversity of MinhoAveParkZona Industrial da Gandra4805-017 BarcoGuimarãesPortugal IcVS/3B’s-PT Government Associate Laboratory 4806-909 Braga/GuimarãesPortugal POLYMAT University of the Basque Country UPV/EHU20018 Donostia/San SebastiánSpain IKERBASQUE Basque Foundation for Science48009 BilbaoSpain

Melt extrusion-based additive manufacturing(ME-AM)is a promising technique to fabricate porous scaffolds for tissue engi-neering ***,most synthetic semicrystalline polymers do not possess the intrinsic biological activity required to control cell *** of biomolecules on polymeric surfaces of AM scaffolds enhances the bioactivity of a construct;however,there are limited strategies available to control the surface ***,we report a strategy to tune the surface density of bioactive groups by blending a low molecular weight poly(ε-caprolactone)5k(PcL5k)containing orthogonally reactive azide groups with an unfunctionalized high molecular weight PcL75k at different *** porous three-dimensional(3D)scaf-folds were then fabricated using a high weight percentage(75 wt.%)of the low molecular weight PcL *** a proof-of-concept test,we prepared films of three different mass ratios of low and high molecular weight polymers with a thermopress and reacted with an alkynated fluorescent model compound on the surface,yielding a density of 201-561 pmol/cm^(2).Subsequently,a bone morphogenetic protein 2(BMP-2)-derived peptide was grafted onto the films comprising different blend compositions,and the effect of peptide surface density on the osteogenic differentiation of human mesenchymal stromal cells(hMScs)was *** two weeks of culturing in a basic medium,cells expressed higher levels of BMP receptor II(BMPRII)on films with the conjugated *** addition,we found that alkaline phosphatase activity was only significantly enhanced on films contain-ing the highest peptide density(i.e.,561 pmol/cm^(2)),indicating the importance of the surface *** together,these results emphasize that the density of surface peptides on cell differentiation must be considered at the cell-material ***,we have presented a viable strategy for ME-AM community that desires to tune the bulk and surface functionality via blending of(m

关键词： Additive manufacturing Blending Surface functionalization Surface density click chemistry Human

Investigating ischemia and reperfusion-induced organ damage in severe cardiac arrest:A comprehensive proteomics perspective

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journal of Pharmaceutical Analysis 2024年第3期14卷 427-430页

作者： ju Yeon Lee Muhammad Shoaib jin-Woong choi Rishabh c.choudhary Tai Yin Nara Yoon Kei Hayashida Seunguk j.Baek Santiago j.Miyara Lance B.Becker junhwan Kim Research center of Bioconvergence Analysis Korea Basic Science InstituteCheongjuSouth Korea Bio-Analytical Science University of Science and TechnologyCheongjuSouth Korea Laboratory for critical care Physiology Feinstein Institutes for Medical ResearchManhassetNY11030USA Donald and Barbara Zucker School of Medicine at Hofstra/Northwell School of Medicine HempsteadNY11549USA Mathematics and computer Science Adelphi UniversityGarden CityNY11530USA Department of Emergency Medicine North Shore University HospitalManhassetNY11030USA

cardiac arrest(cA)is a life-threatening condition with complex pathophysiology and limited treatment *** gain deeper insights into the pathological state of vital organs,we employed a proteomics analysis in rodents to assess proteome alterations in the brain,heart,kidney,and liver using a rat model of *** brain displayed severe protein alterations in essential cellular pathways,including three major energy-generating pathways after cA,which worsened after resuscitation,resulting in the most significant overall protein changes among the ***,the liver,experiencing the most substantial protein alterations post-cA,demonstrated significant recovery,presenting the least protein changes post-resuscitation.

关键词： alterations organs damage

Punicalagin prevents obesity-related cardiac dysfunction through promoting DNA demethylation in mice

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Food Science and Human Wellness 2024年第3期13卷 1465-1474页

作者： Shengjie Pei Run liu Qingqing Ma Peng jiang Xin He Zhongshi Qi jiacheng Fang Xu Yang Zirui Yao Xiaoqian liu Xianfeng jing Lei chen Duo Li Institute of Nutrition&Health Qingdao UniversityQingdao 266071China School of Public Health Qingdao UniversityQingdao 266071China central Laboratory Guizhou Aerospace HospitalZunyi 563000China Health centers of Licha Town Qingdao 266071China college of computer Science and Technology Qingdao UniversityQingdao 266071China

The aim of this study was to investigate whether punicalagin(PU)could prevent obesity-related cardiac dysfunction by promoting DNA demethy lation,and to explore its possible mechanism.c57BL/6j mice were fed with standard diet,high-fat diet(HFD),HFD supplemented with resveratrol,low-dose PU(LPU)and high-dose PU(HPU)for 8 *** with HFD group,body weight was significantly lower in PU treatment groups,number of cardionwocytes and the protein level of myosin heavy chain 7B were significantly higher in PU treatment *** of 5-hydroxymethylcytosine and 5-formylcytosine were significantly lower in HFD group than in other *** with the HFD group,the protein level of ten-eleven translocation enzyme(TET)2 was significantly higher in PU treatment groups,p-AMP-activated protein kinase(AMPK)was significantly higher in LPU *** of total antioxidant capacity and the protein levels of complexesⅡ/Ⅲ/Ⅴ,oxoglutarate dehydrogenase,succinate dehydrogenase B and fumarate hdrolase were significantly lower in HFD group than PU treatment *** ratio of(succinic acid+fumaric acid)/a-ketoglutarate was significantly higher in HFD group than other *** conclusion,PU up-regulated TETs enzyme activities and TET2 protein stability through alleviating mitochondrial dysfunction and activating AMPK,so as to promote DNA demethylation,thus preventing obesity-related cardiac dysfunction.

关键词： DNA demethylation Mitochondrial function Obesity-related cardiac dysfunction Punicalagin Ten-eleven translocation family enzymes

cu-substituted nickel hexacyanoferrate with tunable reaction potentials for superior ammonium ion storage

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journal of Materials Science & Technology 2024年第2期169卷 19-27页

作者： Leiyu Fan Guangchang Shu Yiwen liu Haoxiang Yu Lei Yan Liyuan Zhang jie Shu School of Materials Science and chemical engineering Ningbo UniversityNingbo 315211China

In this work,a variety of cu_(x)Ni_(2-x)Fe(cN)_(6)(x=0,0.4,0.8,1.2,1.6,2)cathodes for ammonium ion batteries are prepared and their electrochemical performances are *** the introduction of copper in nickel hexacyanoferrate,the electrochemical performance varies without changing the structure of nickel *** increase of cu content in nickel hexacyanoferrate leads to the enhancement of reaction potential and *** results suggest that the substitution of cu for Ni has a positive effect on improving the cycling stability and rate capacity of nickel hexacyanoferrate when x in cu_(x)Ni_(2-x)Fe(cN)_(6)is less than ***,cu_(0.4)Ni_(1.6)Fe(cN)_(6)exhibits the best cycling per-formance(capacity retention of 97.54%at 0.3 c)and the highest rate capacity(41.4 mAh g^(-1)at 10 c)in cu_(x)Ni_(2-x)Fe(cN)_(6).Additionally,the X-ray diffraction(XRD)and X-ray photoelectron spectroscopy(XPS)tests also reveal that the structural evolution of cu_(0.4)Ni_(1.6)Fe(cN)_(6)is highly reversible upon NH_(4)^(+)***,this work proposes a candidate material for ammoniumion batteries and offers a novel avenue for adjusting the operating potential of the material.

关键词： Nickel hexacyanoferrate copper hexacyanoferrate NH_(4)^(+)storage Ammonium ion batteries Aqueous batteries