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arXiv 2024年

作者： Taddei, Margherita Contreras, Hannah Doan, Hai-Nam McCarthy, Declan P. Seo, Seongrok Westbrook, Robert J.E. Graham, Daniel J. Datta, Kunal Carroy, Perrine Muñoz, Delfina Correa-Baena, Juan-Pablo Barlow, Stephen Marder, Seth R. Smith, Joel A. Snaith, Henry J. Ginger, David S. Department of Chemistry University of Washington SeattleWA98195 United States Department of Physics University of Oxford OxfordOX1 3PU United Kingdom Institute of Materials Science Technical University of Munich München85748 Germany Department of Chemistry University of Colorado-Boulder BoulderCO80309 United States Department of Bioengineering University of Washington SeattleWA98195 United States School of Materials Science and Engineering Georgia Institute of Technology North Ave NW AtlantaGA30332 United States Université Grenoble Alpes CEA Liten Campus Ines Le Bourget du Lac73375 France Renewable and Sustainable Energy Institute University of Colorado-Boulder BoulderCO80309 United States Department of Chemical and Biological Engineering and Materials Science Program University of Colorado-Boulder BoulderCO80309 United States Physical Sciences Division Physical and Computational Sciences Directorate Pacific Northwest National Laboratory RichlandWA99352 United States

We show that the use of 1,3-diaminopropane (DAP) as a chemical modifier at the perovskite/electron-transport layer (ETL) interface enhances the power conversion efficiency (PCE) of 1.7 eV bandgap FACs mixed-halide perovskite single-junction cells, primarily by boosting the open-circuit voltage (VOC) from 1.06 V to 1.15 V. Adding a post-processing annealing step after C60 evaporation, further improves the fill factor (FF) by 20% from the control to the DAP + post-annealing devices. Using hyperspectral photoluminescence microscopy, we demonstrate that annealing helps improve compositional homogeneity at the top and bottom interfaces of the solar cell, which prevents detrimental bandgap pinning in the devices and improves C60 adhesion. Using time-of-flight secondary ion mass spectrometry, we show that DAP reacts with formamidinium present near the surface of the perovskite lattice to form a larger molecular cation, 1,4,5,6-tetrahydropyrimidinium (THP) that remains at the interface. Combining the use of DAP and the annealing of C60 interface, we fabricate Si-perovskite tandems with PCE of 25.29%, compared to 23.26% for control devices. Our study underscores the critical role of chemical reactivity and thermal post-processing of the C60/Lewis-base passivator interface in minimizing device losses and advancing solar-cell performance of wide-bandgap mixed-cation mixed-halide perovskite for tandem application. © 2024, CC BY.

关键词： Perovskite

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Imaging Atomic-Scale Chemistry from Fused Multi-Modal Electron Microscopy

arXiv

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arXiv 2022年

作者： Schwartz, Jonathan Di, Zichao Wendy Jiang, Yi Fielitz, Alyssa J. Ha, Don-Hyung Perera, Sanjaya D. Baggari, Ismail El Robinson, Richard D. Fessler, Jeffrey A. Ophus, Colin Rozeveld, Steve Hovden, Robert Department of Materials Science and Engineering University of Michigan Ann ArborMI United States Mathematics and Computer Science Division Argonne National Laboratory LemontIL United States Advanced Photon Source Facility Argonne National Laboratory LemontIL United States Dow Chemical Co. MidlandMI United States Department of Material Science and Engineering Cornell University IthacaNY United States School of Integrative Engineering Chung-Ang University Seoul Korea Republic of Department of Physics Cornell University IthacaNY United States The Rowland Institute at Harvard CambridgeMA United States Department of Electrical Engineering and Computer Science University of Michigan Ann ArborMI United States National Center for Electron Microscopy Molecular Foundry Lawrence Berkeley National Laboratory BerkeleyCA United States Applied Physics Program University of Michigan Ann ArborMI United States

Efforts to map atomic-scale chemistry at low doses with minimal noise using electron microscopes are fundamentally limited by inelastic interactions. Here, fused multi-modal electron microscopy offers high signal-to-noise ratio (SNR) recovery of material chemistry at nano- and atomic- resolution by coupling correlated information encoded within both elastic scattering (high-angle annular dark field (HAADF)) and inelastic spectroscopic signals (electron energy loss (EELS) or energy-dispersive x-ray (EDX)). By linking these simultaneously acquired signals, or modalities, the chemical distribution within nanomaterials can be imaged at significantly lower doses with existing detector hardware. In many cases, the dose requirements can be reduced by over one order of magnitude. This high SNR recovery of chemistry is tested against simulated and experimental atomic resolution data of heterogeneous nanomaterials. © 2022, CC BY.

关键词： Electron microscopy

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Rosa multiflora fructus and its active compound ellagic acid improve depressive-like behaviors in mice via monoamine oxidase inhibition

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Biomedicine and Pharmacotherapy 2025年 188卷 118169-118169页

作者： Kim, Minji Lim, Dong Wook Kim, Min-Sun Nam, Heejin Shin, Sooim Lee, Changho Um, Min Young Food Functionality Research Division Korea Food Research Institute Wanju 55365 South Korea Department of Food Biotechnology University of Science & Technology Daejeon 34113 South Korea Interdisciplinary Program of Bioenergy and Biomaterials Graduate School College of Engineering Chonnam National University Gwangju 61186 South Korea Department of Biotechnology & Bioengineering College of Engineering Chonnam National University Gwangju 61186 South Korea

Depression is a significant global health challenge, imposing severe social and economic burdens. Rosa multiflora fructus possesses a range of biological properties;however, its role in reducing stress hormone-induced depression remains unclear. This study examined the antidepressant effects of Rosa multiflora fructus extract (RMFE) on corticosterone (CORT)-induced depressive-like behaviors in mice and explored the underlying molecular mechanisms. ICR mice were administered CORT (40 mg/kg/day, i.p.) for 8 weeks to induce depressive-like behaviors. They were then treated with RMFE (100 or 300 mg/kg/day, p.o.) or selegiline (10 mg/kg/day, p.o.) as a positive control. RMFE treatment significantly alleviated depressive-like behaviors, as evaluated by the tail suspension and forced swimming tests. Furthermore, RMFE reduced hippocampal astrocyte hypertrophy and lowered the protein and mRNA expression of monoamine oxidase A and B (MAOA and MAOB). Phytochemical analysis using UPLC-MS/MS identified five flavonoids in RMFE, including ellagic acid (EA), hyperoside, isoquercetin, quercetin, and quercetin-3-glucuronide. In silico molecular docking revealed that these phenolic compounds interact with MAOA and MAOB, with EA exhibiting the strongest binding affinity. Consistently, EA administration effectively alleviated depressive-like behaviors and increased monoamine neurotransmitter levels in CORT-treated mice. These results suggest that RMFE exerts antidepressant effects by inhibiting MAO, restoring monoamine levels, and modulating hippocampal astrocytic hypertrophy, with EA identified as the primary bioactive compound driving its efficacy. © 2025

关键词： Corticosterone Depression Ellagic acid Monoamine oxidase Rosa multiflora fructus

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A theoretical investigation of some N-hydroxymethyl amino acids as corrosion inhibitors for mild steel 59th

A theoretical investigation of some N-hydroxymethyl amino ac...

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59th International Scientific Conference of Riga Technical University (RTU) Section of materials science and Applied Chemistry, MSAC 2018

作者： Özdemir, Emre Gece, Gökhan Advanced Technologies Material Science and Engineering Program Graduate School of Natural and Applied Sciences Bursa Technical University Bursa Turkey Department of Chemistry Faculty of Engineering and Natural Sciences Bursa Technical University Bursa Turkey

ISBN: (纸本)9783035714074

In this study the dependence of corrosion inhibition and microbial effects of four N-hydroxymethylated amino acids on their molecular and electronic structure was analyzed using density functional theory calculations. Quantum chemical parameters, such as highest occupied molecular orbital energy (EHOMO), lowest unoccupied molecular orbital energy (ELUMO), energy gap (ΔE) were calculated at the B3LYP/6-311G++(d,p) basis set. Although no simple relationship between the inhibition performance and the calculated data could be discerned, the comparison of inactivation rate constants with energetic parameters suggested that microbial effects of the compounds can be explained in terms of their side chain disparities. © 2019 Trans Tech Publications, Switzerland

关键词： Density functional theory

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Setting behaviour, mechanical properties and heat generation under alternate current magnetic fields of Fe3O4/TiO2/PMMA composite bone cement

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Medical Devices and Sensors 2020年第6期3卷

作者： Kubota, Moe Yokoi, Taishi Ogawa, Tomoyuki Saito, Shin Furuya, Maiko Yokota, Kotone Kanetaka, Hiroyasu Jeyadevan, Balachandran Kawashita, Masakazu Department of Electronic Engineering Graduate School of Engineering Tohoku University Sendai Japan Institute of Biomaterials and Bioengineering Tokyo Medical and Dental University Chiyoda-ku Japan Graduate School of Dentistry Tohoku University Sendai Japan Department of Material Science University of Shiga Prefecture Hikone City Japan

Poly(methyl methacrylate) (PMMA) bone cement has excellent mechanical properties and is injectable;therefore, it is widely used as a filler for bone defects. To realize further effective treatment of bone defects, the design of PMMA cement containing magnetite (Fe3O4) and titania (TiO2), with good bone-bonding properties and potential for application in magnetic hyperthermia treatment, is proposed. The ceramic content of the PMMA composite bone cements was varied from 20 mass% to 45 mass%. The setting behaviour, microstructure, compressive strength and heat generation under alternate current (AC) magnetic fields of the PMMA composite bone cements were evaluated. Determination of the setting temperature and time for the PMMA composite cements revealed that the maximum temperature during setting decreased with increasing Fe3O4 and TiO2 content while the setting time increased. The PMMA composite cements had dense microstructures regardless of the ceramic content. The nominal compressive strength for the samples ranged between 83 MPa and 94 MPa, which is sufficient for bone-filling applications. Furthermore, the PMMA composite cement containing 25 mass% Fe3O4 generated heat under AC magnetic field, and its temperature reached 42.3°C after 10 min. Therefore, our findings contribute to the development of novel PMMA bone cements using functional ceramic components. © 2020 Wiley Periodicals LLC

关键词： Magnetite

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Comparison between OSEM and FBP reconstruction algorithms for the qualitative and quantitative interpretation of brain DAT-SPECT using an anthropomorphic striatal phantom: implications for the practice

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Research on Biomedical engineering 2020年第1期36卷 77-88页

作者： Trevisan, Ana Carolina Raed, Michel David Tumas, Vitor Alexandre-Santos, Leonardo Pitella, Felipe Arriva Itikawa, Emerson Nobuyuki Silvah, Jose Henrique Kato, Mery Martinez, Edson Zangiacomi Achcar, Jorge Alberto Simões, Marcus Vinícius Wichert-Ana, Lauro Interunits Post-Graduation Program on Bioengineering. São Carlos School of Engineering University of São Paulo Bandeirantes 3900 São Carlos14048-900 Brazil Section of Nuclear Medicine Image Science and Medical Physics Center Department of Internal Medicine University of São Paulo Ribeirão PretoSP Brazil Department of Social Medicine University of São Paulo Ribeirão PretoSP Brazil Department of Neuroscience and Behavioral Sciences. Ribeirão Preto Medical School University of São Paulo Ribeirão PretoSP Brazil

Purpose: The aim of this study was to evaluate the effect of ordered subsets maximization expectation (OSEM) and filtered backprojection (FBP) reconstruction algorithms for the qualitative interpretation of DAT-SPECT. Methods: Data were acquired using an anthropomorphic striatal phantom and a gamma camera (SPECT/CT). Images were reconstructed using different values of the covariates applied in the OSEM and FBP algorithms (iteration, subsets, order, and cut-off frequency). Image quality was compared according to each set of covariates used in the reconstruction and extracted quantitative parameters of the image quality, such as C, CV RCR, and RSR, as well as the angular coefficients of the edges in regions of interest. Results: Variations in the order from 0 to 10 do not influence the image if a trustworthy cut-off frequency range for FBP (0.9 to 1.6) and OSEM (1.2 to 1.5) are used. For OSEM, the iteration value and the number of subsets that guarantee better quality were those suggested by the developer of the algorithm used (3i8s). Conclusion: For a quality image, it is necessary to use the range of values found for the covariables order and cut-off frequency of the Butterworth filter in the FBP and OSEM reconstruction. OSEM reconstruction shows superiority in the images compared with FBP when the recommended three iterations and eight subsets are used. In the quantitative analyses, the evaluation showed that increasing the number of updates while allowing a better distinction of certain areas, culminates with a degradation image, making it inappropriate for clinical. © 2020, Sociedade Brasileira de Engenharia Biomedica.

关键词： Phantoms

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MOF-derived spinel NiMn2O4/CoMn2O4 heterojunction and its application in a high-performance photocatalyst and supercapacitor

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Journal of Environmental Chemical engineering 2023年第5期11卷

作者： Lee, Kuen-Chan Hsiao, Yu-Sheng Sung, Ming-Yen Chen, Yi-Lun Wu, Nian-Jheng Huang, Jen-Hsien Cho, Er-Chieh Weng, Huei Chu Hsu, Shih-Chieh Department of Science Education National Taipei University of Education No. 134 Section 2 Heping E. Road Da-an District Taipei City106 Taiwan Ph.D. Program in Medical Neuroscience College of Medical Science and Technology Taipei Medical University 250 Wuxing Street Taipei City110 Taiwan Department of Materials Science and Engineering National Taiwan University of Science and Technology No. 43 Section 4 Keelung Road Da-an District Taipei10607 Taiwan Department of Clinical Pharmacy School of Pharmacy College of Pharmacy Taipei Medical University 250 Wuxing Street Taipei City110 Taiwan Université Paris-Saclay CNRS Institut des Sciences Moléculaires d′Orsay Orsay91405 France Department of Green Material Technology Green Technology Research Institute CPC Corporation No. 2 Zuonan Rd. Nanzi District Kaohsiung City81126 Taiwan Department of Mechanical Engineering Chung Yuan Christian University No. 200 Chungpei Rd Chungli District Taoyuan City32023 Taiwan Department of Chemical and Materials Engineering Tamkang University No. 151 Yingzhuan Road Tamsui District New Taipei City25137 Taiwan

Metal oxide heterojunctions have attracted considerable attention in photocatalyst and supercapacitor applications. In this study, NiMn2O4/CoMn2O4 (NMO/CMO) heterojunctions were synthesized using ternary metal-organic frameworks (MOFs) as precursors. After calcination at 500 °C, the as-prepared NMO/CMO composite maintains the porous sheet-like morphology of the ternary MOF, exhibiting a highly porous structure. The heterostructured NMO/CMO composite demonstrates enhanced photocatalytic performance compared with pure NMO and CMO. This enhancement may be attributed to the well-aligned energy levels at the NMO/CMO interface, which effectively reduces charge recombination and facilitates the efficient transport of photogenerated carriers. In addition, the NMO/CMO heterojunction exhibits enhanced supercapacitor performance owing to the increased number of active redox sites and reduced charge transfer resistance. When tested at 3 A/g, the NMO/CMO composite displays a higher capacitance (756.4 F/g) than pure NMO (579.6 F/g) and CMO (519.6 F/g) and remarkable rate capability, maintaining a capacitance of 639 F/g even at 10 A/g. Notably, asymmetric supercapacitors fabricated using NMO/CMO and activated carbon can achieve an energy density of 32.18 W h/kg at 750 W/kg and superior cycling life, retaining 92.1% of its initial capacitance after 3000 cycles. © 2023 Elsevier Ltd

关键词： Heterojunctions

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Accurately predicting anticancer peptide using an ensemble of heterogeneously trained classifiers

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Informatics in Medicine Unlocked 2023年 42卷

作者： Azim, Sayed Mehedi Sabab, Noor Hossain Nuri Noshadi, Iman Alinejad-Rokny, Hamid Sharma, Alok Shatabda, Swakkhar Dehzangi, Iman Center for Computational and Integrative Biology Rutgers University Camden 08102 NJ United States Department of Computer Science and Engineering United International University Plot 2 United City Madani Avenue BaddaDhaka 1212 Bangladesh Department of Bioengineering University of California Riverside 92507 CA United States BioMedical Machine Learning Lab The Graduate School of Biomedical Engineering The University of New South Wales (UNSW Sydney) Sydney NSW 2052 Australia UNSW Data Science Hub UNSW Sydney Sydney NSW 2052 Australia Health Data Analytics Program AI-enabled Processes Research Centre Macquarie University Sydney 2109 Australia Institute for Integrated and Intelligent Systems Griffith University Brisbane Australia Laboratory for Medical Science Mathematics RIKEN Center for Integrative Medical Sciences Yokohama 230-0045 Japan Department of Computer Science Rutgers University Camden 08102 NJ United States

The use of therapeutic peptides for the treatment of cancer has received tremendous attention in recent years. Anticancer peptides (ACPs) are considered new anticancer drugs which have several advantages over chemistry-based drugs including high specificity, strong tumor penetration capacity, and low toxicity level for normal cells. Due to the rise of experimentally verified bioactive peptides, several in silico approaches became imperative for the investigation of the characteristics of ACPs. In this paper, we proposed a new machine learning tool named iACP-RF that uses a combination of several sequence-based features and an ensemble of three heterogeneously trained Random Forest classifiers to accurately predict anticancer peptides. Experimental results show that our proposed model achieves an accuracy of 75.9% which outperforms other state-of-the-art methods by a significant margin. We also achieve 0.52, 75.6%, and 76.2% in terms of Matthews Correlation Coefficient (MCC), Sensitivity, and Specificity, respectively. iACP-RF as a standalone tool and its source code are publicly available at: https://***/MLBC-lab/iACP-RF. © 2023 The Authors

关键词： Anticancer peptides Ensemble learning Feature extraction Heterogeneous classifiers Machine learning Random Forest

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Harnessing enhanced stability and high-rate capability in lithium-ion batteries using synergistic SnS 2 /MoS 2 2D nanostructures with optimized conversion/alloying reactions

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Journal of Alloys and Compounds 2024年 984卷

作者： Boya Venugopal Ravi Mudike Ranjith Ravi Prasanta Kumar Sahoo Abhishek Tripathi Indrajit Shown Institute of Atomic and Molecular Sciences Academia Sinica Taipei 10617 Taiwan Nanoscience and Technology Program Taiwan International Graduate Program Academia Sinica Taipei 11529 Taiwan Department of Engineering and System Science National Tsing Hua University Hsinchu 30013 Taiwan School of Science Minzu University of China Beijing 100081 China Department of Chemistry Hindustan Institute of Technology and Science Chennai 603103 India National Institute of Hydrology Jalvigyan Bhawan Roorkee 247667 India Department of Metallurgical and Material Engineering Malaviya National Institute of Technology Jaipur 302017 India

Recently, there has been a significant interest in the application of SnS 2 /MoS 2 2D nanostructure composites in lithium-ion batteries (LIBs) due to their advantageous conversion, intercalation, and alloying reactions, leading to high capacity during charge and discharge cycles. In this study, we successfully synthesized SnS 2 /MoS 2 composites with a 2D-nanoplate morphology using a single-step hydrothermal method. Specifically, the optimized SnS 2 /MoS 2 -3:1 composite was tested as anodes in coin cell LIBs, demonstrating an impressive capacity of 710 mAh/g at a current density of 500 mA/g, along with outstanding stability (800 cycles) and remarkable rate capability compared to other composites. The excellent electrochemical performance of the SnS 2 /MoS 2 -3:1 composite can be attributed to the moderately coupled SnS 2 and MoS 2 2D-nanosheets, which provide short lithium-ion transportation lengths, low charge transfer resistance, and dominant capacitive behavior.

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From Challenges and Pitfalls to Recommendations and Opportunities: Implementing Federated Learning in Healthcare

arXiv

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arXiv 2024年

作者： Li, Ming Xu, Pengcheng Hu, Junjie Tang, Zeyu Yang, Guang Bioengineering Department Imperial-X Imperial College London LondonW12 7SL United Kingdom National Heart and Lung Institute Imperial College London LondonSW7 2AZ United Kingdom Athinoula A. Martinos Center for Biomedical Imaging Massachusetts General Hospital BostonMA United States State Key Laboratory of Extreme Photonics and Instrumentation College of Optical Science and Engineering Zhejiang University Hangzhou China Tri-Institutional Computational Biology & Medicine Program Weill Cornell Medicine of Cornell University New York United States Cardiovascular Research Centre Royal Brompton Hospital LondonSW3 6NP United Kingdom School of Biomedical Engineering & Imaging Sciences King’s College London LondonWC2R 2LS United Kingdom

Federated learning holds great potential for enabling large-scale healthcare research and collaboration across multiple centres while ensuring data privacy and security are not compromised. Although numerous recent studies suggest or utilize federated learning based methods in healthcare, it remains unclear which ones have potential clinical utility. This review paper considers and analyzes the most recent studies up to May 2024 that describe federated learning based methods in healthcare. After a thorough review, we find that the vast majority are not appropriate for clinical use due to their methodological flaws and/or underlying biases which include but are not limited to privacy concerns, generalization issues, and communication costs. As a result, the effectiveness of federated learning in healthcare is significantly compromised. To overcome these challenges, we provide recommendations and promising opportunities that might be implemented to resolve these problems and improve the quality of model development in federated learning with healthcare. © 2024, CC BY-NC-ND.

关键词： Federated learning

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