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arXiv 2024年

作者： Goncharov, Vitaliy G. Smith, William Li, Jiahong Eakin, Jeffrey A. Reinhart, Erik D. Boncella, James Gibson, Luke D. Bryantsev, Vyacheslav S. Gong, Rushi Shang, Shun-Li Liu, Zi-Kui Xu, Hongwu Clark, Aurora Guo, Xiaofeng Department of Chemistry Washington State University PullmanWA99164 United States Materials Science and Engineering Program Washington State University PullmanWA99164 United States Computational Sciences and Engineering Division Oak Ridge National Laboratory P.O. Box 2008 Oak RidgeTN37831 United States Chemical Science Division Oak Ridge National Laboratory P.O. Box 2008 Oak RidgeTN37831 United States Department of Materials Science and Engineering Pennsylvania State University University ParkPA16802 United States Earth and Environmental Sciences Division Los Alamos National Laboratory Los Alamos New MexicoNM87545 United States Arizona State University TempeAZ United States Department of Chemistry The University of Utah Salt Lake CityUT84112 United States

Calorimetric determination of enthalpies of mixing (ΔHmix) of multicomponent molten salts often employs empirical models that lack parameters with clear physical interpretation (e.g., coordination numbers, molar volumes, and pair potentials). Although such physics informed models are not always needed, a thermodynamic understanding of the relationships between excess energies of mixing and local to intermediate solvation structures is particularly important for pyrochemical separation, as is the case for lanthanides (Ln), which are common neutron poisons and critical industrial elements found in spent nuclear fuels. Here we implement the molecular interaction volume model (MIVM) to synthesize information from experimentally measured ΔHmix (using high temperature melt drop calorimetry) and the distribution of solvation structures from ab initio molecular dynamics (AIMD) simulations. This was demonstrated by a case study of molten salt system consisted of LaCl3 mixing with a eutectic LiCl-KCl (58mol% - 42mol%) at 873 K and 1133 K. The parameters modelled from MIVM were used to extrapolate excess Gibbs energy (ΔGmix), and compositional dependence of La3+ activity in the LaCl3-(LiCl-KCl) system. In contrast, by AIMD or polarizable ion model (PIM) simulations, a significant deviation regarding the predicted ΔHmix was seen if computed directly from the molecular dynamic trajectories. The integrated experimental and simulation data within the MIVM formalism are generalizable to a wide variety of molten salts and demonstrate a significant improvement over currently employed methods to study molten salts for nuclear and separations sciences. Copyright © 2024, The Authors. All rights reserved.

关键词： Enthalpy

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Ranking Magnetic Colloid Performance for Magnetic Particle Imaging and Magnetic Particle Hyperthermia

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Advanced Functional materials 2025年第2期35卷 2412321页

作者： Carlton, Hayden Salimi, Marzieh Arepally, Nageshwar Bentolila, Gabriela Sharma, Anirudh Bibic, Adnan Newgren, Matt Goodwill, Patrick Attaluri, Anilchandra Korangath, Preethi Bulte, Jeff W.M. Ivkov, Robert Department of Radiation Oncology and Molecular Radiation Sciences the Johns Hopkins University School of Medicine BaltimoreMD21231 United States Russell H. Morgan Department of Radiology and Radiological Science Division of MR Research the Johns Hopkins University School of Medicine BaltimoreMD21205 United States Cellular Imaging Section and Vascular Biology Program Institute for Cell Engineering the Johns Hopkins University School of Medicine BaltimoreMD21205 United States Department of Mechanical Engineering School of Science Engineering and Technology The Pennsylvania State University – Harrisburg HarrisburgPA17057 United States F.M. Kirby Research Center for Functional Brain Imaging Kennedy Krieger Inc. BaltimoreMD21205 United States Magnetic Insight Inc. AlamedaCA94502 United States Department of Biomedical Engineering the Johns Hopkins University School of Medicine BaltimoreMD21205 United States Department of Chemical & Biomolecular Engineering Whiting School of Engineering Johns Hopkins University BaltimoreMD21218 United States Department of Oncology Sydney Kimmel Comprehensive Cancer Center Johns Hopkins University School of Medicine BaltimoreMD21287 United States Department of Mechanical Engineering Whiting School of Engineering Johns Hopkins University BaltimoreMD21218 United States Department of Materials Science and Engineering Whiting School of Engineering Johns Hopkins University BaltimoreMD21218 United States

Magnetic particle imaging (MPI) is an emerging modality that can address longstanding technological challenges encountered with magnetic particle hyperthermia (MPH) cancer therapy. MPI is a tracer technology compatible with MPH for which magnetic nanoparticles (MNPs) provide signal for MPI and heat for MPH. Identifying whether a specific MNP formulation is suitable for both modalities is essential for clinical implementation. Current models predict that functional requirements of each modality impose conflicting demands on nanoparticle magnetic properties. This objective here is to develop a measurement and ranking scheme based on end-use performance to streamline evaluation of candidate MNP formulations. The measured MPI point-spread function (PSF) and specific loss power (SLP) is combined to generate a single numerical value for comparison on a relative ranking scale, or figure of merit (FoM). 12 aqueous iron-containing formulations are evaluated, including FDA-approved (parenteral) iron-containing colloids. MNPs with high (Synomag-D70: 123.4), medium (Synomag-D50: 63.2), and low (NanoXact: 0.147) FoM values are selected for in vivo validation of the selection scheme in subcutaneous 4T1 tumors. Results demonstrate that the proposed ranking accurately assessed the relative performance of MNPs for MPI and MPH. Data demonstrated that image quality and tumor temperature rise increased with FoM ranking, validating predictions. It isshown that the MPI signal correlated with MNP concentration in tissue. Computational heat transfer models anchored on tumor MPI data harmonized with experimental results to within an average of 2 °C when MNP content estimated from MPI data is included. Computational studies emphasized the importance of post-injection MNP quantitation and MPI spatial resolution. © 2024 The Author(s). Advanced Functional materials published by Wiley-VCH GmbH.

关键词： Hyperthermia therapy

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Molecular-Scale Visualization of Steric Effects of Ligand Binding to Reconstructed Au(111) Surfaces

arXiv

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arXiv 2023年

作者： Bi, Liya Jamnuch, Sasawat Chen, Amanda Do, Alexandria Balto, Krista P. Wang, Zhe Zhu, Qingyi Wang, Yufei Zhang, Yanning Tao, Andrea R. Pascal, Tod A. Figueroa, Joshua S. Li, Shaowei Department of Chemistry and Biochemistry University of California La Jolla San DiegoCA92093-0309 United States Program in Materials Science and Engineering University of California La Jolla San DiegoCA92093-0418 United States Department of Nano and Chemical Engineering University of California La Jolla San DiegoCA92093-0448 United States Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China Chengdu611731 China

Direct imaging of single molecules at nanostructured interfaces is a grand challenge, with potential to enable new, precise material architectures and technologies. Of particular interest are the structural morphology and spectroscopic signatures of the adsorbed molecule, where modern probes are only now being developed with the necessary spatial and energetic resolution to provide detailed information at molecule-surface interface. Here, we directly visualize the binding of individual m-terphenyl isocyanide ligands to a reconstructed Au(111) surface through scanning tunneling microscopy (STM) and inelastic electron tunneling spectroscopy (IETS). The site-dependent steric pressure of the various surface features alters the vibrational fingerprints of the m-terphenyl isocyanides, which is characterized with single-molecule precision through joint experimental and theoretical approaches. This study for the first time provides molecular-level insights into the steric-pressure-enabled surface binding selectivity, as well as its effect on the chemical properties of individual surface-binding ligands. © 2023, CC BY.

关键词： Scanning tunneling microscopy

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Fabrication of sandwich-structured capacitor containing core@shell polystyrene@graphene oxide microspheres for switchable removal of dyes from water by dielectrophoresis force

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Separation and Purification Technology 2024年 331卷

作者： Chen, Wei-Liang Cheng, Chih-Chia Lu, Chien-Hsing Chen, Jem-Kun Department of Materials Science and Engineering National Taiwan University of Science and Technology 43 Sec. 4 Keelung Road Taipei 106 Taiwan Division of Gastroenterology and Hepatology Department of Internal Medicine Chung Shan Medical University Hospital Taichung City402 Taiwan Graduate Institute of Applied Science and Technology National Taiwan University of Science and Technology Taipei10607 Taiwan Department of Obstetrics and Gynecology Taichung Veterans General Hospital Taichung40705 Taiwan Institute of Biomedical Sciences Ph.D. Program in Translational Medicine and Rong-Hsing Research Center for Translational Medicine National Chung-Hsing University Taichung940227 Taiwan

Absorption rates for traditional adsorbents were predominately determined by the concentration gradient from bulk to absorbents and surface area. A novel sandwich-structured capacitor (SSC) containing adsorbents is designed to reduce the time consuming of absorption of pollutants by dielectrophoresis force (FDEP). Graphene oxide (GO) are coated on polystyrene microspheres (PSs) as the core/shell PS@GO adsorbents that were encapsulated within the SSC to treat the solution of dye-emulsified micells (DEM). The FDEP results the assembling of PS@GOs and DEMs under polarization and enhance the adsorption rate ca. 1 ∼ 2 times with polarization at 3 V and 200 kHz. Additionally, most adsorbents are recycled with secondary pollution. Only two-fifth pure water volume of the wastewater through the SSC could achieve the recycling of the adsorbents at 900 kHz. The high complex permittivity of GO coating at high frequency allows ultrafast alternative spinning of the induced dipoles in the PS@GOs facilitates desorption and hinders the re-adsorption of the DEM during the recycling of PS@GOs. The PS@GOs was reused ca. 10 times at 20 mL min−1 of flow rate through the SSC without damages between 200 and 900 kHz. The designed SSC containing PS@GOs accomplishes either reusing of adsorbents or concentrating of dyes with low secondary pollution in practice through frequency manipulation. © 2023 Elsevier B.V.

关键词： Graphene

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Electrospun Nanofibers from Poly (Ε-Caprolactone) with Copaiba (Copaifera Sp)Oleoresin as an Advanced Healer

SSRN

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SSRN 2024年

作者： Marcos Pinho da Silva, Andrey Miotto, Marília Afonso Provenzi, Marcel Lopes, Susane Maraschin, Marcelo Merlini, Claudia Sciences and Materials Engineering Graduate Program Federal University of Santa Catarina Reitor João David Ferreira Lima University Campus SC Florianópolis88040-900 Brazil Department of Materials Engineering Technology College Federal University of Amazonas AM Manaus Brazil Food Microbiology Laboratory Departament of Food Science and Technology Federal University of Santa Catarina Agrarian Sciences Center Av. Admar Gonzaga 1346 - Itacorubi SC . Florianópolis88034-001 Brazil Florianópolis Brazil Rua João Pessoa 2750 Bairro Velha Blumenau SC 89036-256 Brazil

Advanced healing developed using electrospinning show advantages such as highsurface area/volume relation, similarity with the skin extracellular matrix and ability toincorporate bioactive agents. The use of natural compounds, as the copaiba oleoresinresults in benefits due to its action as enhancer of biochemical agents during theinflammatory phase in the healing process. This study investigated the development ofnanofiber from polycaprolactone and copaiba oleoresin aiming at demonstrating itsantimicrobial and atoxic properties with healing effect on complex wounds. Thecopaiba oleoresin chemical composition revealed the predominance of sesquiterpenes,with majoritary components such as Caryophyllane, γ-Muurolene, and α-Copaene. Thenanofibers were anlyzed employing several techniques and revealed suitablephysicochemical characteristics for the development of advanced healing. The zetapotential indicated a negative surface load in the nanofibers, suggesting favorableinteractions for biomedical applications such as cell adherence. The copaiba oleoresinpresence significantly increased the liquid absorption ability, fundamental in advancedhealing, and accelerated the mass loss rate, emphasizing its influence in thebiodegradability of the nanofibers. The nanofibers showed efficacy againstStaphylococcus Aureus, while the cell viability assay indicared absence of *** results suggest the potential of these nanofibers as efficient and sustainableantimicrobial healing for clinical applications © 2024, The Authors. All rights reserved.

关键词： Nanofibers

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Electrical Gating of the Charge-Density-Wave Phases in Quasi-2D h-BN/1T-TaS2 Devices

arXiv

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arXiv 2022年

作者： Taheri, Maedeh Brown, Jonas Rehman, Adil Sesing, Nicholas R. Kargar, Fariborz Salguero, Tina T. Rumyantsev, Sergey Balandin, Alexander A. Nano-Device Laboratory Department of Electrical and Computer Engineering Bourns College of Engineering University of California RiversideCA92521 United States CENTERA Laboratories Institute of High-Pressure Physics Polish Academy of Sciences Warsaw01-142 Poland Department of Chemistry University of Georgia AthensGA30602 United States Phonon Optimized Engineered Materials Center Materials Science and Engineering Program Bourns College of Engineering University of California RiversideCA92521 United States

We report on electrical gating of the charge-density-wave phases and current in h-BN capped three-terminal 1T-TaS2 heterostructure devices. It is demonstrated that the application of a gate bias can shift the source-drain current-voltage hysteresis associated with the transition between the nearly commensurate and incommensurate charge-density wave phases. The evolution of the hysteresis and the presence of abrupt spikes in the current while sweeping the gate voltage suggest that the effect is electrical rather than self-heating. We attribute the gating to an electric-field effect on the commensurate charge-density-wave domains in the atomic planes near the gate dielectric. The transition between the nearly commensurate and incommensurate charge-density-wave phases can be induced by both the source-drain current and the electrostatic gate. Since the charge-density-wave phases are persistent in 1T-TaS2 at room temperature, one can envision memory applications of such devices when scaled down to the dimensions of individual commensurate domains and few-atomic plane thicknesses. Copyright © 2022, The Authors. All rights reserved.

关键词： Sulfur compounds

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Monitoring blood pressure through a single hybrid hemodynamic signal with a flexible optoelectronic patch

Device

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Device 2025年

作者： Zhong, Yizhou Zhang, Yongcao Pu, Jing Wustoni, Shofarul Uribe, Johana Lopez-Larrea, Naroa Marks, Adam McCulloch, Iain Mecerreyes, David Baran, Derya Inal, Sahika Organic Bioelectronics Laboratory Biological and Environmental Science and Engineering Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia Materials Science and Engineering Program (MSE) Physical Sciences and Engineering Division (PSE) KAUST Thuwal 23955-6900 Saudi Arabia POLYMAT University of the Basque Country UPV/EHU Avenida Tolosa 72 Guipuzcoa Donostia-San Sebastian 20018 Spain Department of Chemistry University of Oxford Oxford OX1 3TF United Kingdom Andlinger Center for Energy and the Environment and Department of Electrical and Computer Engineering Princeton University Princeton 08544 NJ United States IKERBASQUE Basque Foundation for Science Plaza Euskadi 5 Bilbao 48009 Spain

Hemodynamics, the study of blood flow and circulatory forces, is fundamental for assessing cardiovascular health, disease states, and therapeutic outcomes. Here, we introduce a skin-conformable organic optoelectronic thin-film patch (ePatch) designed to simultaneously capture electrocardiography (ECG) and photoplethysmography (PPG) signals as a single hybrid signal, named the electrocardio-photoplethysmogram (EC-PPG). The ePatch integrates an organic electrochemical transistor (OECT), an organic photodiode, surface-mounted light-emitting diodes, and electrochemical electrodes on a flexible, skin-conforming substrate. By training deep learning models on the hybrid EC-PPG data, we achieved accurate arterial blood pressure estimations, with mean errors of just 1.69 mmHg for systolic and 0.89 mmHg for diastolic blood pressure, outperforming traditional predictions that rely on individual physiological signals as inputs. Our findings underscore the potential of EC-PPG as a compound hemodynamic signal for AI-driven vital sign monitoring and integrated, solution-processable soft electronics for clinical and point-of-care applications. © 2025 The Authors

关键词： DTI-3: Develop electrocardiography electrophysiology flexible electronics OECT OPD organic electrochemical transistor photoplethysmography wearable electronics

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CuO NWs boosted triboelectric microfluidic nanosensor functionalized by collagen-protein interactions for real-time platelet count monitoring

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Chemical engineering Journal 2024年 490卷

作者： Lin, Jia-Cheng Kaswan, Kuldeep Chatterjee, Subhodeep Wu, Yu-Wen Kumar Sharma, Manish Ranjan, Ashok Roy Barman, Snigdha Lin, Yu-Zih Burnouf, Thierry Boireau, Wilfrid Lu, Ming-Yen Tu, Yong-Kwang Su, I-Chang Wu, Ping-Hsiu Lin, Zong-Hong Fan, Yu-Jui School of Biomedical Engineering Taipei Medical University Taipei11031 Taiwan Taipei Neuroscience Institute Taipei Medical University Taipei11031 Taiwan Department of Biomedical Engineering National Taiwan University Taipei11031 Taiwan International Intercollegiate PhD Program National Tsing Hua University Hsinchu30013 Taiwan Department of Power Mechanical Engineering National Tsing Hua University Hsinchu30013 Taiwan Graduate Institute of Biomedical Materials and Tissue Engineering Taipei Medical University Taipei11031 Taiwan Department of Material Science and Engineering National Tsing Hua University Hsinchu30013 Taiwan Institute of Biomedical Engineering National Tsing Hua University Hsinchu30013 Taiwan International PhD Program in Biomedical Engineering Taipei Medical University Taipei11031 Taiwan Université de Franche-Comté CNRS Institut FEMTO-ST BesançonF-25030 France Department of Neurosurgery Shuang Ho Hospital Taipei Medical University New Taipei City23561 Taiwan Department of Surgery School of Medicine College of Medicine Taipei Medical University Taipei11031 Taiwan Department of Radiology School of Medicine College of Medicine Taipei Medical University Taipei11031 Taiwan Department of Radiation Oncology Taipei Medical University Hospital Taipei11031 Taiwan Center for Precision Health and Quantitative Sciences Taipei Medical University Hospital Taipei 11031 Taiwan

Blood platelet count significantly affects the development of severe conditions like myocardial infarction, peripheral arterial ischemia, respiratory compromise, stroke, diabetes, coronavirus disease 2019 (COVID-19), along with chemotherapy patients and those suffering cardiovascular diseases (CVDs). These conditions necessitate frequent monitoring of platelet counts to guide diagnostic and therapeutic decisions. However, existing techniques are relatively time-consuming, lack of accuracy and require precise operation. The emergence of these severe diseases underscored the need to develop advanced platelet count-monitoring techniques which are rapid, highly precise, and conveniently portable for point-of-care applications. In this study, we emphasized the development of a triboelectric microfluidic nanosensor (TMNS) for platelet quantification through the assessment of flow resistance. The functionality of TMNS device is based on immobilization of platelets on a collagen layer coated inside a microfluidic channel. The triboelectric voltage output is measured as a detection signal of the flow resistance and is enhanced by incorporating high surface area copper oxide nanowires (CuO NWs) on the interior of copper tubes. These copper tubes serve as terminal electrodes and for flow guiding. The flow resistance of plasma solutions is elevated when the platelet concentration increases due to heightened adherence of platelets onto the collagen layer. Variations in flow resistance induce alterations in contact electrification, causing changes in output voltage at load terminals. Fine-tuning of the TMNS device was achieved by optimizing the channel width and length, flowing liquid viscosity, and voltage measurement technique. Platelet quantification sensing data were acquired through the combination of platelet-rich plasma (PRP) and platelet-poor plasma (PPP) solutions. The described device exhibits promising capabilities for platelet-count monitoring in whole-blood samples c

关键词： Copper oxides

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Folding Graphene into Super-Strong, Z-Laminated Membranes

SSRN

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SSRN 2023年

作者： Santos, Ian Daniell Hofmann, Mario Tjarks, Patrick Muthu, Jeyavelan Lin, You-Chen Yen, Zhi-Long Chand, Pradyumna Kumar Raman, Radha Rouhani, Mehdi Jeng, Yeau-Ren Nguyen, Dinh-Tuan Hsieh, Ya-Ping Department of Physics National Taiwan University Taipei106 Taiwan Nano Science and Technology Program Taiwan International Graduate Program Academia Sinica National Taiwan University Taiwan Institute of Physics Academia Sinica Taipei106 Taiwan Institute for Atomic and Molecular Sciences Academia Sinica Taipei106 Taiwan Department of Chemistry National Taiwan University Taipei106 Taiwan Department of Physics National Central University Taoyuan320 Taiwan Molecular Science and Technology Program Taiwan International Graduate Program Academia Sinica National Central University Taiwan Department of Materials Science and Engineering National Cheng Kung University Tainan70101 Taiwan

We here demonstrate the strengthening of graphene, an atomically thin carbon allotrope, by out-of-plane folding. Through lateral confinement of graphene at the water-air interface, buckling was induced in suspended flakes leading to an unexpected folding transition beyond a critical surface pressure. The emergence of folding was confirmed by in-situ reflectivity and ex-situ microscopy and imparts graphene assemblies with a unique "z-laminated" morphology. Molecular dynamics simulations indicate an enhanced adhesion between neighboring flakes compared to lateral sliding which was confirmed by a surface pressure hysteresis during the folding process. Mechanical testing reveals superior Young’s modulus and Yield strength when compared to conventional graphene assemblies and even compared to composites. We demonstrate the potential of folding for graphene-based structural materials, tribological layers, and functional electrochemical coatings. Finally, the complete recyclability of z-laminated graphene opens up new routes towards sustainable nanostructured materials. © 2023, The Authors. All rights reserved.

关键词： Graphene

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Extrusion-based additive manufacturing of fungal-based composite materials using the tinder fungus Fomes fomentarius

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Fungal Biology and Biotechnology 2021年第1期8卷 21页

作者： Chen, Huaiyou Abdullayev, Amanmyrat Bekheet, Maged F. Schmidt, Bertram Regler, Isabel Pohl, Carsten Vakifahmetoglu, Cekdar Czasny, Mathias Kamm, Paul H. Meyer, Vera Gurlo, Aleksander Simon, Ulla Chair of Advanced Ceramic Materials Institute of Material Science and Technology Faculty III Process Sciences Technische Universität Berlin Straße des 17. Juni 135 Berlin 10623 Germany Chair of Applied and Molecular Microbiology Institute of Biotechnology Faculty III Process Sciences Technische Universität Berlin Straße des 17. Juni 135 Berlin 10623 Germany Department of Materials Science and Engineering Izmir Institute of Technology Urla Izmir 35430 Turkey Institute of Applied Materials Helmholtz-Zentrum Berlin für Materialien und Energie Hahn-Meitner-Platz 1 Berlin 14109 Germany

Background: Recent efforts in fungal biotechnology aim to develop new concepts and technologies that convert renewable plant biomass into innovative biomaterials. Hereby, plant substrates become metabolized by filamentous fungi to transform them into new fungal-based materials. Current research is thus focused on both understanding and optimizing the biology and genetics underlying filamentous fungal growth and on the development of new technologies to produce customized fungal-based materials. Results: This manuscript reports the production of stable pastes, composed of Fomes fomentarius mycelium, alginate and water with 71 wt.% mycelium in the solid content, for additive manufacturing of fungal-based composite materials. After printing complex shapes, such as hollow stars with up to 39 mm in height, a combination of freeze-drying and calcium-crosslinking processes allowed the printed shapes to remain stable even in the presence of water. The printed objects show low bulk densities of 0.12 ± 0.01 g/cm³ with interconnected macropores. Conclusions: This work reports for the first time the application of mycelium obtained from the tinder fungus F. fomentarius for an extrusion-based additive manufacturing approach to fabricate customized light-weight 3D objects. The process holds great promise for developing light-weight, stable, and porous fungal-based materials that could replace expanded polystyrene produced from fossil resources. © 2021, The Author(s).

关键词： Additive manufacturing Alginate Extrusion Freeze-drying Fungi Micro-computed tomography Mycelium Tinder fungus

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