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The structure of molten F 7 LiNaK with CeF 3 using neutron diffraction and EPSR

Journal of Nuclear materials 2025年 615卷

作者： G.S. Rakib Jörg C. Neuefeind Susan Michelle Everett Rebecca A. Mills Melissa A. Rose Shao-Chun Lee Y Z Brent J. Heuser Nuclear Plasma and Radiological Engineering University of Illinois Urbana-Champaign Urbana Illinois 61801 United States Neutron Scattering Division Oak Ridge National Laboratory Oak Ridge Tennessee 37831 United States Chemical & Fuel Cycle Technologies Division Argonne National Laboratory Lemont Illinois 60439 United States Department of Nuclear Engineering and Radiological Sciences Department of Materials Science and Engineering Department of Robotics and Applied Physics Program University of Michigan Ann Arbor Michigan 48105 United States

The local structure of eutectic F 7 LiNaK (Li-7 enriched, 0.465 7 LiF-0.115NaF-0.42KF) which has potential cooling applications in molten salt reactors (MSR), is studied using neutron diffraction. The nearest neighbor distances and the coordination numbers of constituent ion pairs are derived from the total neutron scattering data using empirical potential structure refinement (EPSR) software. A combination of Lennard-Jones and Coulomb 12-6-1 potential (without empirical adjustments) is used that captures the local structure of F 7 LiNaK from simulated 3D atomic configurations. The effect of adding the actinide surrogate cerium on the F 7 LiNaK local structure is also studied using neutron diffraction and EPSR with the same potential model. By comparing the results with previous experimental and computational findings, the effectiveness of EPSR in analyzing complex molten salt structures is demonstrated. The use of EPSR with simple potential models to describe the physical structures of molten salts can offer a computationally efficient approach, reducing both cost and time.

关键词： FLiNaK Cerium EPSR Molten salt Neutron diffraction Local structure

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Correction: Fabrication and Characterization of Carbon Nanotubes-Based Pressure Nanosensors: A Study on Piezoresistive Behavior

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Transactions on Electrical and Electronic materials 2023年第1期25卷 120-120页

作者： Khan, Faiza Mubashir, Talha Ahmed, Kainat Mateen, Abdul Lee, Soonil Ahmed, Tauseef Department of Nanoscience and Technology Preston Institute of Nanoscience and Technology PINSAT Islamabad Pakistan Department of Applied Ecology and Biotechnology Inland Norway University of Applied Sciences Hamar Norway Interdisciplinary Program in Senior Human Ecology Changwon National University Gyeongnam Republic of Korea Department of Mineral Processing Engineering Pak-Austria Fachhochschule Institute of Applied Sciences & Technology Haripur Pakistan School of Materials Science and Engineering Changwon National University Gyeongnam Republic of Korea Department of Materials Science & Engineering Institute of Space Technology Islamabad Pakistan

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Titelbild: Putting Hybrid Nanomaterials to Work for biomedical Applications (Angew. Chem. 16/2024)

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Angewandte Chemie 2024年第16期136卷

作者： Dr. Dong Zhang Yidan Chen Dr. Min Hao Prof. Dr. Younan Xia The Wallace H. Coulter Department of Biomedical Engineering Georgia Institute of Technology and Emory University Atlanta GA 30332 USA These authors contributed equally to the preparation of this review article. School of Materials Science and Engineering Georgia Institute of Technology Atlanta GA 30332 USA School of Chemistry and Biochemistry Georgia Institute of Technology Atlanta GA 30332 USA

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Understanding the strength of the selenium - Graphene interfaces

arXiv

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arXiv 2020年

作者： Sharma, Vidushi Mitlin, David Datta, Dibakar Department of Mechanical and Industrial Engineering New Jersey Institute of Technology NewarkNJ07103 United States Materials Science and Engineering Program Texas Materials Institute The University of Texas at Austin AustinTX78712-1591 United States

We present comprehensive first-principles Density Functional Theory (DFT) analyses of the interfacial strength and bonding mechanisms between crystalline and amorphous selenium (Se) with graphene (Gr), a promising duo for energy storage applications. Comparative interface analyses are presented on amorphous silicon (Si) with graphene and crystalline Se with conventional aluminum (Al) substrate. The interface strength of monoclinic Se (0.43 J/m2) and amorphous Si with graphene (0.41 J/m2) is similar in magnitude. While both materials (c-Se, aSi) are bonded loosely by van der Waals (vdW) forces over graphene, interfacial electron exchange is higher for a-Si/graphene. This is further elaborated by comparing potential energy step and charge transfer (Dq) across the graphene interfaces. The Dq for c-Se/Gr and a-Si/Gr are 0.3119 e-1 and 0.4266 e-1, respectively. However, interface strength of c-Se on 3D Al substrate is higher (0.99 J/m2), suggesting stronger adhesion. The amorphous Se with graphene has comparable interface strength (0.34 J/m2), but electron exchange in this system is slightly distinct from monoclinic Se. The electronic characteristics (density of states analysis) and bonding mechanisms are different for monoclinic and amorphous Se with graphene and they activate graphene via surface charge doping divergently. Our findings highlight the complex electrochemical phenomena in Se interfaced with graphene, which may profoundly differ from their "free" counterparts. Copyright © 2020, The Authors. All rights reserved.

关键词： Density functional theory

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Methodology and feasibility of neurofeedback to improve visual attention to letters in mild Alzheimer's disease

arXiv

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arXiv 2021年

作者： McLaughlin, Deirdre E. Klee, Daniel Memmott, Tab Peters, Betts Wiedrick, Jack Fried-Oken, Melanie Oken, Barry Institute on Development & Disability Department of Pediatrics Oregon Health & Science University PortlandOR United States Department of Neurology Oregon Health & Science University PortlandOR United States Biostatistics & Design Program Oregon Health & Science University Portland State University School of Public Health PortlandOR United States Department of Biomedical Engineering Oregon Health & Science University PortlandOR United States Department of Otolaryngology Oregon Health & Science University PortlandOR United States Department of Behavioral Neuroscience Oregon Health & Science University PortlandOR United States

Background: Brain-computer interface (BCI) systems are controlled by users through neurophysiological input for a variety of applications, including communication, environmental control, motor rehabilitation, and cognitive training. Although individuals with severe speech and physical impairment are the primary users of this technology, BCIs have emerged as a potential tool for broader populations, especially with regards to delivering cognitive training/interventions with neurofeedback. Methods: The goal of this study was to investigate the feasibility of using a BCI system with neurofeedback as an intervention for people with mild Alzheimer's disease (AD). The study focused on visual attention and language since AD is often associated with functional impairments in language and reading. This study enrolled 5 adults with mild AD in a nine- to 13-week BCI EEG-based neurofeedback (NFB) intervention to improve attention and reading skills. Two participants completed intervention entirely. The remaining three participants could not complete the intervention phase because of COVID-19 restrictions. Pre- and post-assessment measures were used to assess reliability of outcome measures and generalization of treatment to functional reading, processing speed, attention, and working memory skills. Results: Participants demonstrated steady improvement in most cognitive measures across experimental phases, although there was not a significant effect of NFB on most measures of attention. One subject demonstrated statistically significant improvement in letter cancellation during NFB. All participants with mild AD learned to operate a BCI system with training. Conclusions: Results have broad implications for the design and use of BCI systems for participants with cognitive impairment. Preliminary evidence justifies implementing NFB-based cognitive intervention in AD Trial Registration: This study was registered with *** (NCT03790774). Copyright © 2021, The Authors.

关键词： Neurodegenerative diseases

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A Comprehensive Study on the Degradation Process of Medical-Grade Polydioxanone at Low pH

SSRN

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SSRN 2024年

作者： Lelkes, Krisztina Dodzi Jezbera, Daniel Svoboda, Roman Podzimek, Štěpán Loskot, Jan Nalezinková, Martina Voda, Petr Duda, Piotr Fučíková, Alena Myslivcová Hosszú, Tomáš Alferi, Dino Bezrouk, Aleš Department of Medical Biophysics Faculty of Medicine in Hradec Králové Charles University Hradec Králové500 03 Czech Republic Department of Physics Faculty of Science University of Hradec Králové Rokitanského 62 Hradec Králové500 03 Czech Republic Department of Physical Chemistry Faculty of Chemical Technology University of Pardubice Studentská 573 Pardubice532 10 Czech Republic Institute of Chemistry and Technology of Macromolecular Materials Faculty of Chemical Technology University of Pardubice Studentská 573 Pardubice532 10 Czech Republic Department of Biology Faculty of Science University of Hradec Králové Rokitanského 62 Hradec Králové500 03 Czech Republic Institute of Biomedical Engineering University of Silesia in Katowice Będzińska 39 Sosnowiec41-205 Poland Department of Neurosurgery University Hospital Hradec Králové Sokolská 581 Hradec Králové500 05 Czech Republic

Polydioxanone (PPDX) has gained significant attention as a biocompatible and absorbable polymer used in various medical applications, such as sutures and tissue scaffolds. This research presents a thorough investigation into the degradation mechanisms of medical-grade polydioxanone under low pH conditions, simulating physiological environments where the polymer may encounter acidic surroundings during its intended applications, e.g., esophagus and stomach surgery. It mainly focuses on the dependence of the PPDX degradation rate on various pH values (1.0, 1.2, 1.67, 3.78, 7.0, and 7.4) of the test environment, which is a substantial knowledge for successful gastrointestinal treatment. The PPDX suture samples were degraded in the test environments for up to 6 weeks and analyzed using size exclusion chromatography, differential scanning calorimetry, Raman spectroscopy, scanning electron microscopy, X-ray microtomography, and mechanical property measurements. The results show that the PPDX degradation is significantly accelerated at pH below 1.67. Correlations of the molecular weight, crystallinity, glass transition temperature, Young’s modulus, shear modulus, tensile strength, and the 1733 cm−1 Raman peak shoulder area indicate that the degradation mechanism does not change with increasing acidity. Molecular weight, crystallinity, and Young’s modulus are shown to be the most suitable parameters for characterizing general PPDX polymer degradation. On the other hand, measurements of tensile strength, shear modulus, and the 1733 cm−1 Raman peak shoulder area were found to be the most suitable parameters for characterizing the PPDX filament’s macroscopic integrity. Raman spectroscopy is of particular interest in this regard due to its rapidity and practically no requirements on the sample preparation or form. © 2024, The Authors. All rights reserved.

关键词： Differential scanning calorimetry

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Fluorescent imaging technologies for in situ measurement of drug target engagement and cell signaling pathways 4

Fluorescent imaging technologies for in situ measurement of ...

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Visualizing and Quantifying Drug Distribution in Tissue IV 2020

作者： McMahon, Nathan P. Solanki, Allison Jones, Jocelyn Kwon, Sunjong Chang, Young-Hwan Chin, Koei Nederlof, Michel A. Gray, Joe W. Gibbs, Summer L. Department of Biomedical Engineering Oregon Health and Science University PortlandOR97201 United States Knight Cancer Institute Oregon Health and Science University PortlandOR97201 United States Center for Spatial Systems Biomedicine Oregon Health and Science University PortlandOR97201 United States Computational Biology Program Oregon Health and Science University PortlandOR97201 United States Quantitative Imaging Systems PittsburghPA15238 United States

ISBN: (纸本)9781510632011

Successful cancer treatment continues to elude modern medicine and its arsenal of therapeutic strategies. Therapy resistance is driven by significant tumor heterogeneity, complex interactions between malignant, microenvironmental and immune cells and cross talk between signaling pathways. Advances in molecular characterization technologies such as next generation sequencing have helped unravel this network of interactions and identify druggable therapeutic targets. Tyrosine kinase inhibitors (TKI) are a class of drugs seeking to inhibit signaling pathways critical to sustaining proliferative signaling, resisting cell death, and the other hallmarks of cancer. While tumors may initially respond to TKI therapy, disease progression is near universal due to mechanisms of acquired resistance largely involving cellular signaling pathway reprogramming. With the ultimate goal of improved TKI therapeutic efficacy our group has developed intracellular paired agent imaging (iPAI) to quantify drug target interactions and oligonucleotide conjugated antibody (Ab-oligo) cyclic immunofluorescence (cycIF) imaging to characterize perturbed signaling pathways in response to therapy. iPAI uses spectrally distinct, fluorescently labeled targeted and untargeted drug derivatives, correcting for non-specific drug distribution and facilitating quantitative assessment of the drug binding before and after therapy. Ab-oligo cycIF exploits in situ hybridization of complementary oligonucleotides for biomarker labeling while oligonucleotide modifications facilitate signal removal for sequential rounds of fluorescent tagging and imaging. Aboligo CycIF is capable of generating extreme multi-parametric images for quantifying total and phosphorylated protein expression to quantify protein activation, expression, and spatial distribution. Together iPAI and Ab-oligo cycIF can be applied to interrogate drug uptake and target binding as well as changes to heterogenous cell populations within tumors that d

关键词： Fluorescence imaging

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Metallic vs. Semiconducting properties of quasi-one-dimensional tantalum selenide van der Waals nanoribbons

arXiv

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arXiv 2021年

作者： Kargar, Fariborz Krayev, Andrey Wurch, Michelle Ghafouri, Yassamin Debnath, Topojit Wickramaratne, Darshana Salguero, Tina T. Lake, Roger Bartels, Ludwig Balandin, Alexander A. Center Department of Electrical and Computer Engineering University of California RiversideCA92521 United States HORIBA Scientific NovatoCA94949 United States Department of Chemistry and Material Science and Engineering Program University of California RiversideCA92521 United States Department of Chemistry University of Georgia AthensGA30602 United States Laboratory for Terahertz and Terascale Electronics Department of Electrical and Computer Engineering University of California RiversideCA92521 United States Center for Computational Materials Science U.S. Naval Research Laboratory WashingtonDC20375 United States

We conducted a tip-enhanced Raman scattering spectroscopy (TERS) and photoluminescence (PL) study of quasi-1D TaSe3-δ nanoribbons exfoliated onto gold substrates. At a selenium deficiency of δ~0.25 (Se/Ta=2.75,), the nanoribbons exhibit a strong, broad PL peak centered around ~920 nm (1.35 eV), suggesting their semiconducting behavior. Such nanoribbons revealed a strong TERS response under 785-nm laser excitation, allowing for their nanoscale spectroscopic imaging. Nanoribbons with a smaller selenium deficiency (Se/Ta=2.85, δ~0.15) did not show any PL or TERS response. The confocal Raman spectra of these samples agree with the previously-reported spectra of metallic TaSe3. The differences in the optical response of the nanoribbons examined in this study suggest that even small variations in Se content can induce changes in electronic structure, causing samples to exhibit either metallic or semiconducting character. The temperature-dependent electrical measurements of devices fabricated with both types of materials corroborate these observations. The density-functional-theory calculations revealed that incorporation of an oxygen atom in a Se vacancy can result in band gap opening and thus enable the transition from a metal to a semiconductor. However, the predicted bandgap is substantially smaller than that derived from PL data. These results indicate that the properties of van der Waals materials can vary significantly depending on stoichiometry, defect types and concentration, and possibly environmental and substrate effects. In view of this finding, local probing of nanoribbon properties with TERS becomes essential to understanding such low-dimensional systems. Copyright © 2021, The Authors. All rights reserved.

关键词： Van der Waals forces

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Putting Hybrid Nanomaterials to Work for biomedical Applications

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Angewandte Chemie 2024年第16期136卷

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Synthetic Biomolecular Condensates: Phase-Separation Control, Cytomimetic Modelling and Emerging biomedical Potential

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Angewandte Chemie 2024年第8期137卷

作者： Dr. Siyu Song Tsvetomir Ivanov Dr. Thao. P. Doan-Nguyen Prof. Dr. Lucas Caire da Silva Prof. Dr. Jing Xie Prof. Dr. Katharina Landfester Prof. Dr. Shoupeng Cao Life-Like Materials and Systems Department of Chemistry University of Mainz 55128 Mainz Germany Max Planck Institute for Polymer Research 55128 Mainz Germany International Center for Young Scientists National Institute for Materials Science 1-2-1 Sengen Tsukuba Ibaraki 305-0047 Japan Department of Chemistry McGill University Montreal H3A 0B8 Canada Institute of Biomedical Engineering West China School of Basic Medical Sciences & Forensic Medicine Sichuan University Chengdu 610041 PR China College of Polymer Science and Engineering State Key Laboratory of Polymer Materials Engineering Sichuan University Chengdu 610065 PR China

Liquid-liquid phase separation towards the formation of synthetic coacervate droplets represents a rapidly advancing frontier in the fields of synthetic biology, material science, and biomedicine. These artificial constructures mimic the biophysical principles and dynamic features of natural biomolecular condensates that are pivotal for cellular regulation and organization. Via adapting biological concepts, synthetic condensates with dynamic phase-separation control provide crucial insights into the fundamental cell processes and regulation of complex biological pathways. They are increasingly designed with the ability to display more complex and ambitious cell-like features and behaviors, which offer innovative solutions for cytomimetic modeling and engineering active materials with sophisticated functions. In this minireview, we highlight recent advancements in the design and construction of synthetic coacervate droplets; including their biomimicry structure and organization to replicate life-like properties and behaviors, and the dynamic control towards engineering active coacervates. Moreover, we highlight the unique applications of synthetic coacervates as catalytic centers and promising delivery vehicles, so that these biomimicry assemblies can be translated into practical applications.

关键词： Biomolecular condensates Synthetic coacervates Cytomimetic modelling Dynamic control biomedical delivery

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