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Accuracy comparison and improvement for state of health estimation of lithium-ion battery based on random partial recharges and feature engineering

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Journal of Energy chemistry 2024年第5期92卷 591-604页

作者： Xingjun Li Dan Yu Søren Byg Vilsen Daniel Ioan Stroe department of Energy Aalborg UniversityAalborg 9220Denmark department of Mathematical Sciences Aalborg UniversityAalborg 9220Denmark Walker department of Mechanical Engineering The University of Texas at AustinAustinTX 78712USA

State of health(SOH)estimation of e-mobilities operated in real and dynamic conditions is essential and *** of existing estimations are based on a fixed constant current charging and discharging aging profiles,which overlooked the fact that the charging and discharging profiles are random and not complete in real *** work investigates the influence of feature engineering on the accuracy of different machine learning(ML)-based SOH estimations acting on different recharging sub-profiles where a realistic battery mission profile is *** features were extracted from the battery partial recharging profiles,considering different factors such as starting voltage values,charge amount,and charging sliding ***,features were selected based on a feature selection pipeline consisting of filtering and supervised ML-based subset *** linear regression(MLR),Gaussian process regression(GPR),and support vector regression(SVR)were applied to estimate SOH,and root mean square error(RMSE)was used to evaluate and compare the estimation *** results showed that the feature selection pipeline can improve SOH estimation accuracy by 55.05%,2.57%,and 2.82%for MLR,GPR and SVR *** was demonstrated that the estimation based on partial charging profiles with lower starting voltage,large charge,and large sliding window size is more likely to achieve higher *** work hopes to give some insights into the supervised ML-based feature engineering acting on random partial recharges on SOH estimation performance and tries to fill the gap of effective SOH estimation between theoretical study and real dynamic application.

关键词： Feature engineering Dynamic forklift aging profile State of health comparison Machine learning Lithium-ion batteries

Data-driven diagnosis of high temperature PEM fuel cells based on the electrochemical impedance spectroscopy: Robustness improvement and evaluation

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Journal of Energy chemistry 2024年第9期96卷 544-558页

作者： Dan Yu Xingjun Li Samuel Simon Araya Simon Lennart Sahlin Vincenzo Liso department of Energy Aalborg UniversityAalborg 9220Denmark Walker department of Mechanical Engineering The University of Texas at AustinAustinTX 78712USA Materials Research and Technology Development Luxembourg Institute of Science and Technology(LIST)4422 BelvauxLuxembourg

Utilizing machine learning techniques for data-driven diagnosis of high temperature PEM fuel cells is beneficial and meaningful to the system durability. Nevertheless, ensuring the robustness of diagnosis remains a critical and challenging task in real application. To enhance the robustness of diagnosis and achieve a more thorough evaluation of diagnostic performance, a robust diagnostic procedure based on electrochemical impedance spectroscopy (EIS) and a new method for evaluation of the diagnosis robustness was proposed and investigated in this work. To improve the diagnosis robustness: (1) the degradation mechanism of different faults in the high temperature PEM fuel cell was first analyzed via the distribution of relaxation time of EIS to determine the equivalent circuit model (ECM) with better interpretability, simplicity and accuracy;(2) the feature extraction was implemented on the identified parameters of the ECM and extra attention was paid to distinguishing between the long-term normal degradation and other faults;(3) a Siamese Network was adopted to get features with higher robustness in a new embedding. The diagnosis was conducted using 6 classic classification algorithms—support vector machine (SVM), K-nearest neighbor (KNN), logistic regression (LR), decision tree (DT), random forest (RF), and Naive Bayes employing a dataset comprising a total of 1935 collected EIS. To evaluate the robustness of trained models: (1) different levels of errors were added to the features for performance evaluation;(2) a robustness coefficient (Roubust_C) was defined for a quantified and explicit evaluation of the diagnosis robustness. The diagnostic models employing the proposed feature extraction method can not only achieve the higher performance of around 100% but also higher robustness for diagnosis models. Despite the initial performance being similar, the KNN demonstrated a superior robustness after feature selection and re-embedding by triplet-loss method, which sug

关键词： PEM fuel cell Data-driven diagnosis Robustness improvement and evaluation Electrochemical impedance spectroscopy

Encapsulated Fe(IV)Molecular Complex for Photoacoustic Imaging

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CCS chemistry 2024年第5期6卷 1184-1197页

作者： Ye Xu Chao Li Zhong-Yu Yu Jiamin Wang Zhaoyang Liu Chao Jiang Zhen-Feng Chen Xiaoyu Wu Ming-Xing Li Hong Yang Zhao-Xi Wang Jonathan L.Sessler department of chemistry Center for Supramolecular Chemistry and CatalysisInnovative Drug Research CenterShanghai UniversityShanghai 200444 College of chemistry and Materials Science Shanghai Key Laboratory of Rare Earth Functional MaterialsShanghai Frontiers Science Center of Biomimetic CatalysisShanghai Normal UniversityShanghai 200234 Sijing Community Health Service Center of Songjiang District Shanghai 201601 Key Laboratory for chemistry and Molecular Engineering of Medicinal Resources Guangxi Normal UniversityGuilin 541004 department of chemistry The University of Texas at AustinAustinTexas 78712-1224

stable neutral Fe(IV)complex(Fe-HDCL),readily accessible on the g scale,was found to possess high water solubility and good stability(<5%degradation over 4 h upon photoirradiation).Fe-HDCL is green and absorbs light effectively in the visible region(500–800 nm)with aλmax at 650 nm(ɛ=7830 M^(−1)cm^(−1)).Fe-HDCL also exhibits photothermal(PT)behavior comparable to single-wall carbon nanotubes in the solid *** aqueous solution,high PT conversion(η=72.6%)is achieved,and a strong hyperthermia-based inhibition of cell growth is observed upon subjecting Fe-HDCL to near-infrared 730 nm laser *** biological studies in vitro and in vivo confirmed that Fe-HDCL is biocompatible,clears readily,and allows the visual detection of blood *** subjecting mice to intravenous injection at low doses(e.g.,50μmol·kg^(−1)),Fe-HDCL also permits the photoacoustic(PA)imaging of kidneys and the evaluation of renal fibrosis in mouse *** addition,Fe-HDCL allows PA-based imaging of brain tissues,presumably reflecting its ability to pass through the blood-brain *** thus propose that Fe-HDCL has a role to play as PT agent and as a photodiagnostic.

关键词： stable Fe(IV)complex blood-brain barrier molecular cage photoacoustic imaging renal fibrosis

The HIF-1α/PLOD2 axis integrates extracellular matrix organization and cell metabolism leading to aberrant musculoskeletal repair

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Bone Research 2024年第2期12卷 289-301页

作者： Heeseog Kang Amy L.Strong Yuxiao Sun Lei Guo Conan Juan Alec C.Bancroft Ji Hae Choi Chase A.Pagani Aysel A.Fernandes Michael Woodard Juhoon Lee Sowmya Ramesh Aaron W.James David Hudson Kevin N.Dalby Lin Xu Robert J.Tower Benjamin Levi Center for Organogenesis Regeneration and TraumaDepartment of SurgeryUniversity of Texas SouthwesternDallasTX 75390USA Section of Plastic Surgery Department of SurgeryUniversity of MichiganAnn ArborMI 48109USA Quantitative Biomedical Research Center Peter O’Donnell Jr.School of Public HealthUniversity of Texas SouthwesternDallasTX 75390USA department of Orthopedics and Sports Medicine University of WashingtonSeattleWA 98195USA Division of Chemical Biology and Medicinal chemistry College of PharmacyUniversity of Texas at AustinAustinTX 78712USA department of Pathology Johns Hopkins UniversityBaltimoreMD 21218USA

While hypoxic signaling has been shown to play a role in many cellular processes,its role in metabolism-linked extracellular matrix(ECM)organization and downstream processes of cell fate after musculoskeletal injury remains to be ***(HO)is a debilitating condition where abnormal bone formation occurs within extra-skeletal *** andhypoxia-inducible factor 1α(HIF-1α)activation have been shown to promote ***,the underlying molecular mechanisms bywhich the HIF-1αpathway in mesenchymal progenitor cells(MPCs)contributes to pathologic bone formation remain to ***,we used a proven mouse injury-induced HO model to investigate the role of HIF-1αon aberrant cell ***-cell RNA sequencing(scRNA-seq)and spatial transcriptomics analyses of the HO site,we found that collagen ECM organizationis the most highly up-regulated biological process in *** mesenchymal cell-specific deletion of Hif1α(Hoxa11-CreER^(T2);Hif1a^(fl/fl))significantly mitigated HO in ***-seq analysis of these Hoxa11-CreER^(T2);Hif1a^(fl/fl)mice identified the PLOD2/LOXpathway for collagen cross-linking as downstream of the HIF-1αregulation of ***,our scRNA-seq data and mechanisticstudies further uncovered that glucose metabolism in MPCs is most highly impacted by HIF-1α*** a translational aspect,a pan-LOX inhibitor significantly decreased HO.A newly screened compound revealed that the inhibition of PLOD2 activity in MPCssignificantly decreased osteogenic differentiation and glycolytic *** suggests that the HIF-1α/PLOD2/LOX axis linked tometabolism regulates HO-forming MPC *** results suggest that the HIF-1α/PLOD2/LOX pathway represents a promisingstrategy to mitigate HO formation.

关键词： metabolism skeletal aberrant

Fjord-Type AIEgens Based on Inherent Through-Space Conjugation

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CCS chemistry 2024年第7期6卷 1739-1747页

作者： Ye-Qiang Han Yuan Xie Jianyu Zhang Shiyu Tan Haoke Zhang Ben Zhong Tang Jonathan L.Sessler Feihe Huang Stoddart Institute of Molecular Science Department of ChemistryZhejiang UniversityHangzhou 310058 Zhejiang-Israel Joint Laboratory of Self-Assembling Functional Materials ZJU-Hangzhou Global Scientific and Technological Innovation CenterZhejiang UniversityHangzhou 311215 MOE Key Laboratory of Macromolecular Synthesis and Functionalization Department of Polymer Science and EngineeringZhejiang UniversityHangzhou 310058 Center for AIE Research College of Materials Science and EngineeringShenzhen UniversityShenzhen 518061 department of chemistry Hong Kong Branch of Chinese National Engineering Research Center for Tissue Restoration and ReconstructionThe Hong Kong University of Science and TechnologyKowloonHong Kong 999077 School of Science and Engineering Shenzhen Institute of Aggregate Science and TechnologyThe Chinese University of Hong KongShenzhen(CUHK-Shenzhen)Guangzhou 518172 department of chemistry The University of Texas at AustinAustinTexas 78712-1224 Green Catalysis Center and College of chemistry Zhengzhou UniversityZhengzhou 450001

Through-space conjugation(TSC)is a noncovalently electronic interaction that is emerging as a potential complement to through-bond conjugation(TBC)-based strategies for constructing luminescent ***,the design of efficient luminogens based on TSC is currently challenging due to a lack of established structure-property *** is particularly true in the case of luminogens displaying aggregation-induced emission(AIE)*** this work,three terphenyl derivatives were prepared,and their photophysical properties were systemically *** was found that relative to the corresponding m-and p-linked analogues,the electronic interaction of TBC is weakened while the strength of TSC is commensurately enhanced in the constitutional isomer containing an o-linked fjordtype *** this set of luminogens,the presence of a fjord-type arrangement promotes a transformation from aggregation-caused quenching to *** investigations involving congeneric quaterphenyl and pentphenyl isomers support the universality of the fjord-type unit as a framework for synthesizing AIE-active luminogens(AIEgens)with inherent *** work not only provides a novel set of AIEgens but also establishes the utility of TSC in controlling the photophysical properties of nonconventional and twisted luminogens.

关键词： fjord-type through-space conjugation through-bond conjugation aggregation-induced emission luminescence twisted conformation

Electrocatalysis for sustainable nitrogen management:materials innovation for sensing,removal and upcycling technologies

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Science China chemistry 2024年

作者： Mei Yi Hongmei Li Minghao Xie Panpan Li Zhaoyu Jin Guihua Yu Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China College of Materials Science and Engineering and College of chemistry Sichuan University Materials Science and Engineering Program and Walker department of Mechanical Engineering The University of Texas at Austin

The global nitrogen cycle holds immense importance due to its crucial role in supporting life, supplying vital nutrients for plant growth, preserving environmental balance, and enabling the proper functioning of ecosystems. However, human activities frequently disrupt this cycle, leading to the accumulation of nitrates and nitrites in water bodies. This accumulation causes environmental pollution and health risks. Traditional methods for treating nitrogen pollution, including biological, physical, and chemical approaches, have inherent limitations. In recent years, electrocatalysis has emerged as a promising and sustainable approach for nitrogen management. This technology offers superior efficiency, high selectivity, and environmental *** not only enables accurate detection of nitrogen pollutants in the environment but also facilitates their conversion into harmless nitrogen gas. Moreover, recent advancements have focused on the upcycling of nitrogen pollutants into valuable compounds,such as ammonia and urea. In this comprehensive review, we showcase the applications of electrocatalysis in sustainable nitrogen management. Specifically, we highlight its use in the sensing, removal, and upcycling of major nitrogen pollutants,including nitrate（NO3-）, nitrite（NO2-）, and nitric oxide（NO）. We discuss the use of catalysts, such as Pd alloys, Cu-based, and Fe-based materials, in electrochemical sensing and catalysis. Additionally, we explore recent advancements in the conversion of nitrogen pollutants into valuable compounds like ammonia and urea. The review also addresses current challenges and future opportunities in the field, including innovations in sensor and catalyst design, as well as large-scale treatment strategies. We anticipate that these perspectives will provide profound insights for effective nitrogen pollution control and sustainable utilization of nitrogen resources.

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The 2^(nd)Asian Conference on Porphyrins,Phthalocyanines and Related Materials

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Chinese Chemical Letters 2024年第7期35卷 1-3页

作者： Gaojie Zhu Zhen Yang Shijun Li Weihua Zhu Rui Cao Junlong Zhang Jianzhang Zhao Jonathan L.Sessler Xunjin Zhu Jianxin Song Yongshu Xie Jianzhuang Jiang Key Laboratory for Advanced Materials and Institute of Fine Chemicals School of Chemistry and Molecular EngineeringEast China University of Science&TechnologyShanghai 200237China College of Material Chemistry and Chemical EngineeringKey Laboratory of Organosilicon Chemistry and Material Technology of Ministry of EducationHangzhou Normal UniversityHangzhou 311121China School of chemistry and Chemical Engineering Jiangsu UniversityZhenjiang 212013China Key Laboratory of Applied Surface and Colloid chemistry Ministry of EducationSchool of Chemistry and Chemical EngineeringShaanxi Normal UniversityXi'an 710119China Beijing National Laboratory for Molecular Sciences State Key Laboratory of Rare Earth Materials Chemistry and ApplicationsCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China State Key Laboratory of Fine Chemicals Frontier Science Center for Smart MaterialsSchool of Chemical EngineeringDalian University of TechnologyDalian 116024China department of chemistry The University of TexasAustinTexas 78712-1224United States department of chemistry and Institute of Advanced Materials Hong Kong Baptist UniversityHong Kong 999077China Key Laboratory of Chemical Biology and Traditional Chinese Medicine(Ministry of Educational of China) Key Laboratory of the Assembly and Application of Organic Functional Molecules of Hunan ProvinceCollege of Chemistry and Chemical EngineeringHunan Normal UniversityChangsha 410081China Beijing Advanced Innovation Center for Materials Genome Engineering Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline MaterialsDepartment of Chemistry and Chemical EngineeringSchool of Chemistry and Biological EngineeringUniversity of Science and Technology BeijingBeijing 100083China

In the past decades,porphyrins,phthalocyanines and related materials have attracted significant attention due to their diverse and brilliant structures[1,2],as well as their unique electronic structures and photophysi... 详细信息

关键词： cyanine phthalocyanine Porphyrin

Reduced texaphyrin:A ratiometric optical sensor for heavy metals in aqueous solution

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Frontiers of Chemical Science and Engineering 2020年第1期14卷 19-27页

作者： Harrison D.Root Gregory Thiabaud Jonathan L.Sessler department of chemistry The University of Texas at AustinAustinTX 78712-1224USA

We report here a water-soluble metal cation sensor system based on the as-prepared or reduced form of an expanded porphyrin,*** metal complexation,a change in the redox state of the ligand occurs that is accompanied by a color change from red to *** long employed for synthesis in organic media,we have now found that this complexation-driven redox behavior may be used to achieve the naked eye detectable colorimetric sensing of several number of less-common metal ions in aqueous *** to In(Ⅲ),Hg(Ⅱ),Cd(Ⅱ),Mn(Ⅱ),Bi(Ⅲ),Co(Ⅱ),and Pb(Ⅱ)cations leads to a colorimetric response within 10 *** process is selective for Hg(Ⅱ)under conditions of competitive ***,among the subset of responseproducing cations,In(Ⅲ)proved unique in giving rise to a ratiometric change in the ligand-based fluorescence features,including an overall increase in *** cation selectivity observed in aqueous media stands in contrast to what is seen in organic solvents,where a wide range of texaphyrin metal complexes may be *** formation of metal cation complexes under the present aqueous conditions was confirmed by reversed phase highperformance liquid chromatography,ultra-violet-visible absorption and fluorescence spectroscopies,and highresolution mass spectrometry.

关键词： texaphyrin fluorescent sensor ion-sensing indium mercury

Decarbonylative C-C bond forming reactions mediated by transition metals

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Science China chemistry 2013年第6期56卷 685-701页

作者： DERMENCI Alpay DONG GuangBin department of chemistry and Biochemistry the University of Texas at Austin

New methods for carbon-carbon (C-C) forming reactions are constantly emerging in the field of organic synthesis. In this review, a brief history followed by recent developments of decarbonylative C-C forming reactions mediated by transition metals is described. Many different substrates are presented and the review is organized by the different carbonyl precursors, such as acyl chlorides, aldehydes, anhydrides, esters and ketones, used in the respective transformations. Furthermore, the broad scope of these reactions is exhibited by the application to several reaction types (e.g. Heck-type reactions, Suzuki cross-coupling type reactions, C-H activation, etc.) as well as a natural product synthesis (e.g. muscroride A). While several examples are provided, this review marks the beginning of a new field that is still in its infancy and for what might be a new approach to achieve highly efficient reactions that come closer to meeting the standards of chemical economies (e.g. atom, redox, step, etc.) and green chemistry.

关键词： transition metal decarbonylation C-C formation green chemistry