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Ultrasensitive detection of ornidazole–antibiotic drug residues in water using NiMOFs functionalized MWCNT modified electrode

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Microchemical Journal 2024年 197卷

作者： Vignesh, Kondusamy Senthil Kumar, Annamalai Arumugam Napoleon, Ayyakannu Kuo, Chih-Yu Yusuf, Kareem Govindasamy, Mani Nano and Bioelectrochemistry Research Laboratory Carbon dioxide Research and Green Technology Centre and Department of Chemistry School of Advanced Sciences Vellore Institute of Technology Vellore 632 014 India Department of Chemistry School of Advanced Sciences Vellore Institute of Technology Vellore 632 014 India International Ph.D. Program in Innovative Technology of Biomedical Engineering and Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan Department of Chemical Engineering and Biotechnology National Taipei University of Technology Taipei 10608 Taiwan Department of Chemistry College of Science King Saud University Riyadh 11451 Saudi Arabia Centre for Applied Research Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences (SIMATS) Tamil Nadu Chennai 602105 India Research Center for Intelligence Medical Devices Ming Chi University of Technology New Taipei City 243303 Taiwan

Nitroimidazole-based drugs are widely used as an antibiotic for the treatment of anaerobic bacterial and parasite illnesses. The widespread use of these drugs in animal feed and the consequent environmental pollution have become significant concerns in recent years. Simple, sensitive, and rapid detection of the antibody in various real samples is demanding research interest. Herein, we report a Nickel-metal organic framework functionalized Multiwalled Carbon nanotubes modified glassy carbon electrode (MWCNT@NiMOFs) as an ultrasensitive and rapid voltammetric sensor for the detection of ornidazole (ORdZ) in a neutral ph solution. The MWCNT@NiMOFs were prepared using a microwave-assisted solvothermal technique accompanied by an ultrasonication method. The designed MWCNT@NiMOFs offered a low charge transfer resistance (R_ct) of 141 Ω along with excellent electrocatalytic activity, and high current density at the lowered cathodic peak potential (-0.62 V vs Ag/AgCl) for ORdZ detection. The surface adsorption capacity (Γ_s) in terms of surface excess and heterogeneous charge transfer rate constant (k⁰) of the MWCNT@NiMOFs were calculated to be 3.29 × 10^-9 mol cm⁻² and 5.33 × 10^-3 cm s⁻¹, respectively. Under an optimal working condition, differential pulse voltammetry measurements of ORdZ have shown concentration linearity in a window, 100 nm to 10 µM range with excellent sensitivity, 5.69 × 10^-5A µM⁻¹ cm⁻², and detection limit, 26 nM (3.3/s). The designed MWCNT@NiMOFs offered appreciable reproducibility, and repeatability up to 30 days of storage time. The real-time quantitative evaluation of ORdZ in human urine and tap water specimens was done along with ∼ 100 % recovery values. Since the new approach is simple, selective, and separation-free, it can be extendable to a variety of real-time practical applications. © 2024 Elsevier B.V.

关键词： Electrocatalytic reduction Multi-walled carbon nanotubes Nickel Metal-organic frameworks Ornidazole drug Ultrasensitive detection

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16-Hydroxybriaranes from the octocoral Briareum stechei

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phytochemistry Letters 2023年 57卷 92-95页

作者： Liu, Chia-Jung Wang, Chien-Chiao Chang, Chun-Feng Zhang, Mingzi M. Tsou, Lun Kelvin Wen, Zhi-Hong Hwang, Tsong-Long Chen, You-Ying Sung, Ping-Jyun Department of Marine Biotechnology and Resources National Sun Yat-sen University Kaohsiung 804201 Taiwan National Museum of Marine Biology and Aquarium Pingtung 944401 Taiwan Graduate Institute of Natural Products College of Medicine Chang Gung University Taoyuan 333323 Taiwan Graduate Institute of Biomedical Sciences College of Medicine Chang Gung University Taoyuan 333323 Taiwan Division of Urology Department of Surgery Kaohsiung Armed Forces General Hospital Kaohsiung 802301 Taiwan Institute of Molecular and Genomic Medicine National Health Research Institutes Miaoli Zhunan 350401 Taiwan Institute of Biotechnology and Pharmaceutical Research National Health Research Institutes Miaoli Zhunan 350401 Taiwan Department of Anesthesiology Chang Gung Memorial Hospital Taoyuan 333008 Taiwan Research Center for Chinese Herbal Medicine Graduate Institute of Healthy Industry Technology College of Human Ecology Chang Gung University of Science and Technology Taoyuan 333324 Taiwan Department of Chemical Engineering Ming Chi University of Technology New Taipei 243303 Taiwan Chinese Medicine Research and Development Center China Medical University Hospital Taichung 404394 Taiwan Graduate Institute of Natural Products Kaohsiung Medical University Kaohsiung 807378 Taiwan Ph.D. Program in Pharmaceutical Biotechnology Fu Jen Catholic University New Taipei City 242062 Taiwan

Two new 16-hydroxybriaranes, 11-dehydroxybriavioid B (1) and 12-epi-briastecholide L (2), have been isolated from an algal-containing octocoral identified as Briareum stechei. The structures of metabolites 1 and 2 were corroborated by extensive 2d-NMR studies and comparison with literature data. Briarane 2 was found to reduce the release of inducible nitric oxide synthase (iNOS) to 87.92 %, at a concentration of 10 μM. © 2023 phytochemical Society of Europe

关键词： Briarane Briareum stechei Briastecholide Briavioid iNOS

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diffusion Kurtosis Imaging Biomarkers Associated with Amelioration of Neuroinflammation, Gray Matter Microstructural Abnormalities, and Gut dysbiosis by Central Thalamic deep Brain Stimulation in Autistic -Like Young Rats

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NeuroImage 2025年

作者： Lalitha Palanivelu You-Yin Chen Yao-Wen Liang Ssu-Ju Li Ching-Wen Chang Yu-Ting Huang Yu-Chun Lo International Ph.D. Program in Medicine College of Medicine Taipei Medical University 7F. No. 250 Wuxing St. Xinyi Dist. Taipei city 110 Taiwan Department of Biomedical Engineering National Yang Ming Chiao Tung University No.155 Sec.2 Linong St. Taipei 11221 Taiwan Ph.D. Program in Medical Neuroscience College of Medical Science and Technology Taipei Medical University. 12F. Education and Research Building Shuang-Ho Campus No. 301 Yuantong Rd. New Taipei City 23564 Taiwan Department of Medicine Taipei Medical University No. 250 Wuxing St. Xinyi Dist. Taipei city 110 Taiwan

Autism spectrum disorder (ASd) is a neurodevelopmental condition characterized by abnormalities in brain microstructure, neuroinflammation, and social behavior deficits. In addition, children with ASd frequently exhibit irritable bowel syndrome and other gastrointestinal symptoms linked to anxiety. This study investigated if central thalamic nucleus deep brain stimulation (CTN-dBS) can improve social behavior, suppress neuroinflammation, restore brain microstructure, and reverse gut dysbiosis in the valproic acid-induced rat model of ASd by modulating the microbiota–gut–brain (MGB) axis. daily CTN-dBS for 7 days (30 min/day) enhanced neuronal density, organization, and microstructural complexity as evidenced by increases in the diffusion kurtosis imaging (dKI) metrics—mean kurtosis (MK), axial kurtosis (AK), and radial kurtosis (RK). These neurostructural improvements were associated with reduced astrocyte and microglial activation, two core hallmarks of neuroinflammation in ASd, and lower systemic levels of the pro-inflammatory cytokines interleukin (IL)-1β, IL-6, interferon (IFN)-γ, and tumor necrosis factor (TNF)-α, signaling factors that may increase gut permeability and disrupt gut microbial composition. Indeed, CTN-dBS enhanced gut barrier function, promoted the proliferation of beneficial Bacteroides spp. , and improved short-chain fatty acid (SCFA) metabolism, thereby restoring normal gut acetate and butyrate levels and counteracting dysbiosis. Specific energy absorption rate and thermal effect analyses demonstrated that CTN-dBS is safe under dKI. These findings support CTN-dBS as a safe and efficacious therapeutic strategy to reduce neuroinflammation, restore gray matter circuit function, and improve gut microbial composition in ASd via MGB axis modulation. Furthermore, dKI can reveal neurobiomarkers indicative of these improvements in ASd model rats.

关键词： autism spectrum disorder social interaction central thalamic dBS microbiota–gut–brain axis neuroinflammation diffusion kurtosis imaging

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AmberTools

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Journal of Chemical Information and Modeling 2023年第20期63卷 6183-6191页

作者： Case, david A. Aktulga, Hasan Metin Belfon, Kellon Cerutti, david S. Cisneros, G. Andrés Cruzeiro, Vinícius Wilian d. Forouzesh, Negin Giese, Timothy J. Götz, Andreas W. Gohlke, Holger Izadi, Saeed Kasavajhala, Koushik Kaymak, Mehmet C. King, Edward Kurtzman, Tom Lee, Tai-Sung Li, Pengfei Liu, Jian Luchko, Tyler Luo, Ray Manathunga, Madushanka Machado, Matias R. Nguyen, Hai Minh O’Hearn, Kurt A. Onufriev, Alexey V. Pan, Feng Pantano, Sergio Qi, Ruxi Rahnamoun, Ali Risheh, Ali Schott-Verdugo, Stephan Shajan, Akhil Swails, Jason Wang, Junmei Wei, Haixin Wu, Xiongwu Wu, Yongxian Zhang, Shi Zhao, Shiji Zhu, Qiang Cheatham, Thomas E. Roe, daniel R. Roitberg, Adrian Simmerling, Carlos York, darrin M. Nagan, Maria C. Merz, Kenneth M. Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States Department of Computer Science and Engineering Michigan State University East LansingMI48824-1322 United States FOG Pharmaceuticals Inc. CambridgeMA02140 United States Psivant 451 D Street Suite 205 BostonMA02210 United States Department of Physics Department of Chemistry and Biochemistry University of Texas at Dallas RichardsonTX75801 United States Department of Chemistry and The PULSE Institute Stanford University StanfordCA94305 United States Department of Computer Science California State University Los AngelesCA90032 United States Laboratory for Biomolecular Simulation Research Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology Rutgers University PiscatawayNJ08854 United States San Diego Supercomputer Center University of California San Diego La Jolla CA92093-0505 United States Institute for Pharmaceutical and Medicinal Chemistry Heinrich Heine University Düsseldorf Düsseldorf40225 Germany Forschungszentrum Jülich GmbH Jülich52425 Germany Pharmaceutical Development Genentech Inc. South San FranciscoCA94080 United States Laufer Center for Physical and Quantitative Biology Department of Chemistry Stony Brook University Stony BrookNY11794 United States Departments of Molecular Biology and Biochemistry Chemical and Biomolecular Engineering Materials Science and Engineering and Biomedical Engineering Graduate Program in Chemical and Materials Physics University of California IrvineCA92697 United States Ph.D. Programs in Chemistry Biochemistry and Biology The Graduate Center of the City University of New York 365 Fifth Avenue New YorkNY10016 United States Department of Chemistry Lehman College 250 Bedford Park Blvd West BronxNY10468 United States Department of Chemistry and Biochemistry Loyola University Chicago ChicagoIL60660 United States Beijing National Laboratory for Molecular Science

AmberTools is a free and open-source collection of programs used to set up, run, and analyze molecular simulations. The newer features contained within AmberTools23 are briefly described in this Application note. ... 详细信息

关键词： Free energy Ligands Molecular mechanics Molecular modeling QM/MM

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Radiomics in liver research: A paradigm shift in disease detection and staging

European Journal of Radiology Artificial Intelligence

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European Journal of Radiology Artificial Intelligence 2025年 2卷 100016-100016页

作者： Le, Minh Huu Nhat Kha, Hien Quang Tran, Nghia Minh Nguyen, phat Ky Huynh, Han H. Huynh, phat Kim Lam, Han Le, Nguyen Quoc Khanh International Master/Ph.D. Program in Medicine College of Medicine Taipei Medical University Taipei Taiwan AIBioMed Research Group Taipei Medical University Taipei 110 Taiwan Translational Science and Precision Medicine Talent Cultivation Program College of Medical Science and Technology Taipei Medical University Taipei 110 Taiwan International Master Program for Translational Science College of Medical Science and Technology Taipei Medical University Taipei 110 Taiwan Department of Industrial and Systems Engineering North Carolina A&T State University USA Industrial & Management Systems Engineering Department University of South Florida Tampa FL 33620 USA In-Service Master Program in Artificial Intelligence in Medicine College of Medicine Taipei Medical University Taipei 110 Taiwan Translational Imaging Research Center Taipei Medical University Hospital Taipei 110 Taiwan

AbstractThis narrative review explores radiomics in the broader context of liver disease research, an interdisciplinary field bridging medical imaging, oncology, and data science. It begins with an introduction to data analysis techniques, from foundational methods like descriptive statistics, comparative and regression analysis, and survival analysis, to advanced approaches like machine learning (ML), meta-analysis, and bioinformatics. Contextualizing these methodologies within liver disease research enhances our understanding of liver diseases. The focus is on radiomics, an emerging field, which is first placed in historical context before its applications are explained across fatty liver diseases (FLd), fibrosis, cirrhosis, and liver cancers. The role of radiomics in early detection, disease staging, and outcome prediction, particularly as a non-invasive alternative to liver biopsy, is analyzed in-depth. Current imaging modalities for liver cancer diagnosis are also examined, highlighting their advantages and limitations. Alongside radiomics, these imaging tools enable comprehensive liver assessment. Lastly, the integration of radiomics with other data types, especially genomic data, is explored, emphasizing its role in a holistic approach to liver disease management. The review concludes with a forward-looking perspective on future directions and advancements in radiomics and liver cancer research, addressing the challenges and opportunities in the field. It underscores the transformative impact of these developments on liver cancer research, patient care, personalized medicine, and clinical decision-making.

关键词： AFP alpha-fetoprotein AI artificial intelligence AST aspartate transaminase AUC area under the curve CCrCC clear cell renal cell carcinoma CEUS contrast-enhanced ultrasound CNNs convolutional neural networks dCNN deep convoluted neural network dOR diagnostic odds ratio FLd fatty liver disease GWAS genome-wide association studies HCC hepatocellular carcinoma MAFLd metabolic associated fatty liver disease ML machine learning MRE magnetic resonance elastography NAFLd nonalcoholic fatty liver disease NASH nonalcoholic steatohepatitis NPV negative predictive value PPV positive predictive value VCTE vibration-controlled transient elastography Radiomics Liver disease Cancer Non-invasive diagnostic techniques Presicion medicine deep learning Machine learning

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Chemoresistance in acute myeloid leukemia: An alternative single-cell RNA sequencing approach

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Hematological oncology 2023年第3期41卷 499-509页

作者： Po-Liang Cheng Tzu-Hung Hsiao Chung-Hsing Chen Miao-Neng Hung Pei-Pei Jhan Li-Wen Lee Ting-Shuan Wu Jia-Rung Tsai Chieh-Lin Jerry Teng Department of Medical Research Taichung Veterans General Hospital Taichung Taiwan. Research Center for Biomedical Science and Engineering National Tsing Hua University Hsinchu Taiwan. Department of Public Health Fu Jen Catholic University New Taipei City Taiwan. Institute of Genomics and Bioinformatics National Chung Hsing University Taichung Taiwan. National Institute of Cancer Research National Health Research Institutes Zhunan Taiwan. Department of Post-Baccalaureate Medicine College of Medicine National Chung Hsing University Taichung Taiwan. Division of Hematology/Medical Oncology Department of Medicine Taichung Veterans General Hospital Taichung Taiwan. Department of Life Science Tunghai University Taichung Taiwan. School of Medicine Chung Shan Medical University Taichung Taiwan. Ph.D. Program in Translational Medicine National Chung Hsing University Taichung Taiwan. Rong Hsing Research Center for Translational Medicine National Chung Hsing University Taichung Taiwan.

Our previous study demonstrated that myc, mitochondrial oxidative phosphorylation, mTOR, and stemness are independently responsible for chemoresistance in acute myeloid leukemia (AML) cells. This study aimed to identify potential mechanisms of chemoresistance of the "7 + 3" induction in AML by using a single-cell RNA sequencing (scRNA-seq) approach. In the present study, 13 untreated patients with de novo AML were enrolled and stratified into two groups: complete remission (CR; n = 8) and non-CR (n = 5). Single-cell RNA sequencing was used to analyze genetic profiles of 28,950 AML cells from these patients; results were validated using a previously published bulk RNA-seq dataset. Our study results showed chemoresistant AML cells had premature accumulation during early hematopoiesis. Hematopoietic stem cell-like cells from the non-CR group expressed more leukemic stem cell markers (Cd9, Cd82, IL3RA, and IL1RAP) than those from the CR group. Chemoresistant progenitor cells had impaired myeloid differentiation owing to early arrest of hematopoiesis. Notably, AML cells analyzed by scRNA-seq and bulk RNA-seq harbored a comparable myeloid lineage cell fraction, which internally validated our results. Using the TCGA database, our analysis demonstrated that patients with AML with higher expression of chemoresistant genetic markers (IL3RA and IL1RAP) had a worse overall survival (p < 0.01 for IL3RA; p < 0.05 for IL1RAP). In conclusion, AML cells responsive and resistant to the "7 + 3" induction were derived from a diverse cancerous hematopoietic stem cell population, as indicated by the specific genetic biomarkers obtained using scRNA-seq approach. Furthermore, arrest of hematopoiesis was shown to occur earlier in chemoresistant AML cells, furthering the current understanding of chemoresistance in AML.

关键词： acute myeloid leukemia chemoresistance leukemia stem cells single-cell RNA-seq

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Agar-altered foaming bacterial cellulose with carvacrol for active food packaging applications

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Food Packaging and Shelf Life 2024年 42卷

作者： Kusuma, Anita Chandra Chou, Yu-Chieh Hsieh, Chen-Che Santoso, Shella Permatasari Go, Alchris Woo Lin, Hong-Ting Victor Hsiao, I.-Lun Lin, Shin-Ping Master Program in Food Safety Taipei Medical University 250 Wu-Hsing Street Taipei 11031 Taiwan Ph.D. Program in Drug Discovery and Development Industry Taipei Medical University 250 Wu-Hsing Street Taipei 11031 Taiwan Institute of Biotechnology National Taiwan University 1 Roosevelt Rd. Section 4 Taipei 10617 Taiwan Department of Chemical Engineering Widya Mandala Surabaya Catholic University Kalijudan 37 Surabaya 60114 Indonesia Department of Chemical Engineering National Taiwan University of Science and Technology 43 Keelung Road Section 4 Taipei 10607 Taiwan Department of Food Science National Taiwan Ocean University No. 2 Pei-Ning Road Keelung 20224 Taiwan School of Food Safety Taipei Medical University 250 Wu-Hsing Street Taipei 11031 Taiwan TMU Research Center for Digestive Medicine Taipei Medical University 250 Wu-Hsing Street Taipei 11031 Taiwan Research Center of Biomedical Device Taipei Medical University 250 Wu-Hsing Street Taipei 11031 Taiwan

Bacterial cellulose (BC) is a biodegradable nanoscale film produced by microorganisms, which possesses great mechanical properties and biocompatibility. In this study, we produced foaming BC (FBC) utilizing foam medium with different concentrations of agar. In addition, carvacrol was loaded into the agar/FBC to establish active packaging material. Evaluation by characterization tests indicated that agar/FBC provided lower crystallinity (59.8%∼71.4%) and a high swelling ability (94.7%∼97.9%) compared to BC (92.2% and 96.1%). The 1.5% agar/FBC with carvacrol group exhibited the significantly highest antimicrobial properties against Escherichia coli and Staphylococcus aureus. Moreover, release measurements showed that greater agar addition contributed to higher protein and carvacrol release extents out of the film. Finally, a sea bass packaging test indicated that carvacrol with 1.5% agar/FBC presented a higher antimicrobial ability against Shewanella putrefaciens, great inhibition of lipid oxidation (67.5%), and a slower spoilage degree (49.8%) which suggested that agar/FBC with carvacrol has potential for active food packaging. © 2024 Elsevier Ltd

关键词： Agar Bacterial cellulose Carvacrol Foaming bacterial cellulose Food packaging Sea bass

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Negative prognostic factors and clinical improvement prediction modeling for extracorporeal shockwave therapy in calcific shoulder tendinitis using artificial intelligence techniques

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Journal of Shoulder and Elbow Surgery 2025年

作者： Chou, Wen-Yi Huang, Tian-Hsiang Cheng, Jai-Hong Lien, Yu-Jui Ho, Wen-Hsien Chou, Paul Pei-Hsi Ph.D. Program in Biomedical Engineering College of Medicine Kaohsiung Medical University Kaohsiung Taiwan Department of Orthopedic Surgery Kaohsiung Chang Gung Memorial Hospital and Chang Gung University College of Medicine Kaohsiung Taiwan Department of Leisure and Sport Management Cheng Shiu University Kaohsiung Taiwan Department of Computer Science and Information Engineering National Penghu University of Science and Technology Penghu Taiwan Department of Medical Research Center for Shockwave Medicine and Tissue Engineering Kaohsiung Chang Gung Memorial Hospital and Chang Gung University College of Medicine Kaohsiung Taiwan Department of Healthcare Administration and Medical Informatics Kaohsiung Medical University Kaohsiung Taiwan Department of Medical Research Kaohsiung Medical University Hospital Kaohsiung Taiwan College of Professional Studies National Pingtung University of Science and Technology Pingtung Taiwan Precision Sports Medicine and Health Promotion Center Kaohsiung Medical University Kaohsiung Taiwan Department of Sports Medicine College of Medicine Kaohsiung Medical University Kaohsiung Taiwan Division of Sports Medicine Department of Orthopaedic Surgery Kaohsiung Medical University Hospital Kaohsiung Taiwan Department of Orthopaedics School of Medicine College of Medicine Kaohsiung Medical University Kaohsiung Taiwan

Background: The efficacy of extracorporeal shockwave therapy (ESWT) for treating shoulder calcific tendinitis can be influenced by various prognostic factors. This study aimed to identify prognostic factors associated with the failure of ESWT for symptom relief and to evaluate the predictive capability of the eXtreme Gradient Boosting (XGBoost) algorithm of artificial intelligence techniques in this context. Methods: This retrospective study enrolled patients with persistent shoulder pain attributed to calcific tendinitis who underwent ESWT after failed conservative treatment between January 1998 and december 2022. Age, sex, duration of symptoms, calcification classification and size, pre-ESWT visual analog scale (VAS), and pre-ESWT Constant-Murley score (CMS) served as potential input attributes. The difference in VAS and CMS were defined as the output attributes. The XGBoost model was used to predict treatment outcomes based on these factors. The dataset was balanced using the synthetic minority oversampling technique, and the model's performance was assessed using 10-fold cross-validation. Spearman's rank correlation coefficient analysis was adopted to explore the relationships between significant continuous input attributes and post-ESWT VAS and CMS scores. Results: A total of 296 patients with calcific tendinitis were enrolled and completed the 1-year follow-up. The findings revealed that a prolonged symptom duration (>10 months), severe pain (pre-ESWT VAS >5), and higher pre-ESWT CMS (>55) were significant prognostic factors for the failure of ESWT for symptom relief. Using these factors as inputs, the XGBoost model demonstrated high accuracy, precision, recall, and F1 score. By reducing the input attributes to age, calcification size, pre-ESWT CMS, and symptom duration, the model maintained a high prediction rate, suggesting that these factors are sufficient for effective prediction. discussion: The present study identified significant prognostic factors asso

关键词： Artificial intelligence Basic science Study calcific tendinitis CMS development of Predictive Computer Modeling Using AI/Machine Learning ESWT shoulder VAS XGBoost

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Water-Vapor Responsive Metallo-Peptide Nanofibers

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Angewandte Chemie 2024年第47期136卷

作者： Avishek dey Elma Naranjo Ranajit Saha Sheng Zhang Maya Narayanan Nair Tai-de Li Xi Chen Rein V. Ulijn Nanoscience Initiative at Advanced Science Research Center of the Graduate Center of the City University of New York New York New York 10031 USA Department of Chemical Engineering The City College of New York 275 Convent Ave New York NY 10031 USA Department of Chemistry Cooch Behar Panchanan Barma University Cooch Behar West Bengal 736101 India Department of Physics City College of New York of City University of New York New York NY 10031 USA Ph.D. Program in Physics The Graduate Center of the City University of New York 365 5th Ave New York NY 10016 USA Ph.D. Program in Chemistry The Graduate Center of the City University of New York 365 5th Ave New York NY 10016 USA Department of Chemistry Hunter College City University of New York New York New York 10065 USA Ph.D. Program in Biochemistry The Graduate Center of the City University of New York 365 5th Ave New York NY 10016 USA

Short peptides are versatile molecules for the construction of supramolecular materials. Most reported peptide materials are hydrophobic, stiff, and show limited response to environmental conditions in the solid-state. Herein, we describe a design strategy for minimalistic supramolecular metallo-peptide nanofibers that, depending on their sequence, change stiffness, or reversibly assemble in the solid-state, in response to changes in relative humidity (RH). We tested a series of histidine (H) containing dipeptides with varying hydrophobicity, XH, where X is G, A, L, Y (glycine, alanine, leucine, and tyrosine). The one-dimensional fiber formation is supported by metal coordination and dynamic H-bonds. Solvent conditions were identified where GH/Zn and AH/Zn formed gels that upon air-drying gave rise to nanofibers. Upon exposure of the nanofiber networks to increasing RH, a reduction in stiffness was observed with GH/Zn fibers reversibly (dis-)assembled at 60–70 % RH driven by a rebalancing of hydrogen bonding interactions between peptides and water. When these metallo-peptide nanofibers were deposited on the surface of polyimide films and exposed to varying RH, peptide/water-vapor interactions in the solid-state mechanically transferred to the polymer film, leading to the rapid and reversible folding-unfolding of the films, thus demonstrating RH-responsive actuation.

关键词： Metallopeptide Actuation Humidity Responsive Assembly-disassembly Water Vapor Responsive

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Electronic structures of NANOMET-based nanocrystalline soft magnetic Alloys: Magnetic properties

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physica B: Condensed Matter 2025年 714卷

作者： Jihye Park Minyeong Choi Hyunkyung Lee Haein Choi-Yim Yang-Ki Hong Seong-Gon Kim C. Heath Turner Department of Applied Physics Sookmyung Women's University Seoul 04310 South Korea Hyundai Motor Company 150 HyundaiYeonguso-ro Namyang-eup Hwaseong-si Gyeonggi-do 18280 South Korea Department of Electrical and Computer Engineering and Materials Science Ph.D. Program The University of Alabama Tuscaloosa AL 35487 USA Department of Physics and Astronomy Mississippi State University Mississippi State MS 39762 USA Department of Chemical and Biological Engineering The University of Alabama Tuscaloosa AL 35487 USA

We developed new nanocrystalline Fe-Co-B-P-Cu soft magnetic alloys and studied their magnetic properties by calculating electronic structures using first-principles calculations based on density functional theory within the local spin density approximation and the Brillouin function. The supercell Fe-B-P-Cu was equilibrated at 3000 K for 12 ps using ab initio molecular dynamics (AIMd). Consequently, Fe, B, P, and Cu atoms are distributed randomly in an amorphous matrix formed by cooling it to 0 K. The ferromagnetic bcc α -(Fe 50 Co 50 ) crystallites were formed in the amorphous matrix by annealing the mixture at 300 K and cooling to 0 K. This resulted in the formation of nanocrystalline (Fe, Co)-B-P-Cu soft magnetic alloys. The ferromagnetic bcc α -Fe(Co) crystallites, embedded in an amorphous matrix, were confirmed experimentally for the first time. The experiment involved quickly cooling and heating a melted mixture of Fe, Co, B, Fe 3 P, and Cu to create both amorphous ribbons and crystallites. The Fe-Co-B-P-Cu alloy designed for the experiment has a saturation magnetization ( μ 0 M S ) of over 1.9 T (T) at 0 K and ranging from 1.87 to 1.92 T at 300 K. The magnetocrystalline anisotropy constant (K) decreased significantly to 142 J/m 3 from 5.2 × 104 J/m 3 with an increase in the number of embedded crystallites from one to five, indicating that the alloy became magnetically soft. At 300 K, the experimental μ 0 M S ranged from 1.79 to 1.89 T. Additionally, as the concentration of Co increased, the Curie temperature (T C ) also increased and reached about 800 °C at 3.5 at.%. The study revealed that the average grain size of the synthesized Fe-Co-B-P-Cu alloys was 29 nm. The experimental μ 0 M S was slightly lower than the calculated value for all designed Fe-Co-B-P-Cu alloys, indicating that the recrystallization process was not entirely controlled. The experimental results confirmed that the designed alloy system has achieved the target saturation magnetization of o

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