jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sasha E. Alden | Lingjie Zhang | Yunong Wang | Nickolay V. Lavrik | Scott N. Thorgaard | Lane A. Baker
Source: Analytical Chemistry (article, 2024-05-23)
Field: Chemistry — Electrochemistry

High-Throughput Single-Entity Electrochemistry with Microelectrode Arrays We describe micro- and nanoelectrode array analysis with an automated version of the array microcell method (AMCM). Characterization of hundreds of electrodes, with diameters ranging from 100 nm to 2 μm, was carried out by using AMCM voltammetry and chronoamperometry. The influence of solvent evaporation on mass transport in the AMCM pipette and the resultant electrochemical response were investigated, with experimental results supported by finite element method simulations. We also describe the application of AMCM to high-throughput single-entity electrochemistry in measurements of stochastic nanoparticle impacts. Collision experiments recorded 3270 single-particle events from 671 electrodes. Data collection parameters were optimized to enable these experiments to be completed in a few hours, and the collision transient sizes were analyzed with a U-Net deep learning model. Elucidation of collision transient sizes by histograms from these experiments was enhanced due to the large sample size possible with AMCM. Microelectrode ; Chemistry ; Chronoamperometry ; Microcell ; Throughput ; Electrode ; Electrochemistry ; Cyclic voltammetry ; Transient (computer programming) ; Analytical Chemistry (journal) ; Multielectrode array ; Pipette ; Nanotechnology ; Collision ; Biological system ; Solution of Schrödinger equation for a step potential ; Chromatography ; Computer science ; Materials science Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Advanced Chemical Sensor Technologies
Authors: Rahil Radfar | Eda Akin | Ekin Sehit | Nastasia Sanda Moldovean‐Cioroianu | Niklas Wolff | Rodrigue Marquant | Karsten Haupt | Lorenz Kienle | Zeynep Altıntaş
Source: Analytical and Bioanalytical Chemistry (article, 2024-10-16)
Field: Chemistry — Analytical Chemistry

Synthesis and characterization of core–shell magnetic molecularly imprinted polymer nanocomposites for the detection of interleukin-6 Interleukin-6 (IL-6) belongs to the cytokine family and plays a vital role in regulating immune response, bone maintenance, body temperature adjustment, and cell growth. The overexpression of IL-6 can indicate various health complications, such as anastomotic leakage, cancer, and chronic diseases. Therefore, the availability of highly sensitive and specific biosensing platforms for IL-6 detection is critical. In this study, for the first time, epitope-mediated IL-6-specific magnetic molecularly imprinted core-shell structures with fluorescent properties were synthesized using a three-step protocol, namely, magnetic nanoparticle functionalization, polymerization, and template removal following thorough optimization studies. The magnetic molecularly imprinted polymers (MMIPs) were characterized using dynamic and electrophoretic light scattering (DLS and ELS), revealing a hydrodynamic size of 169.9 nm and zeta potential of +17.1 mV, while Fourier transform infrared (FTIR) spectroscopy and fluorescence spectroscopy techniques showed characteristic peaks of the polymer and fluorescent tag, respectively. Scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) investigations confirmed the successful encapsulation of the magnetic core within the ca. 5-nm-thick polymeric shell. The MMIP-based electrochemical sensing platform achieved a limit of detection of 0.38 pM within a linear detection range of 0.38-380 pM, indicating high affinity (dissociation constant K<sub>D</sub> = 1.6 pM) for IL-6 protein in 50% diluted serum samples. Moreover, comparative investigations with the non-imprinted control polymer demonstrated an imprinting factor of 4, confirming high selectivity. With multifunctional features, including fluorescence, magnetic properties, and target responsiveness, the synthesized MMIPs hold significant potential for application in various sensor techniques as well as imaging. Molecularly imprinted polymer ; Dynamic light scattering ; Zeta potential ; Materials science ; Fourier transform infrared spectroscopy ; High-resolution transmission electron microscopy ; Polymer ; Detection limit ; Polymerization ; Nanoparticle ; Magnetic nanoparticles ; Nanocomposite ; Scanning electron microscope ; Nanotechnology ; Chemical engineering ; Transmission electron microscopy ; Nuclear chemistry ; Chemistry ; Chromatography ; Organic chemistry ; Selectivity Analytical chemistry methods development ; Biosensors and Analytical Detection ; Advanced biosensing and bioanalysis techniques
Authors: Marie‐Christine Reuvers | S. K. Kulkarni | Birte Boes | Sebastian Felder | André Wutzler | Michael Johlitz | Alexander Lion | Tim Brepols | Stefanie Reese
Source: Continuum Mechanics and Thermodynamics (article, 2024-03-30)
Field: Materials Science — Polymers and Plastics

A thermo-mechanically coupled constitutive model for semi-crystalline polymers at finite strains: Mechanical and thermal characterization of polyamide 6 blends Abstract In the field of material modeling, thermoplastic polymers are often studied because of their complex material behavior and their prevalence in industry applications due to their low cost and wide range of applications. Nowadays, where reusability becomes more and more important, materials which can undergo reversible thermomechanical deformations are appealing for, e.g., the construction of car body components. To predict such complex forming processes with multiple influencing factors, such as temperature, strain rate or underlying material morphology, model formulations are needed that account for these influences simultaneously and are validated against experimental data. Unfortunately, up to now only a few contributions are available which consider all these phenomena. In addition, the range of process parameters considered is often narrow due to the experimental effort required for testing. This usually results in limited predictive capabilities of the model. To overcome these limitations, in this work, a thermo-mechanically coupled material model is developed that accounts for the underlying morphology in terms of the degree of crystallinity (DOC). The model formulation is derived in a thermodynamically consistent manner, incorporating coupled nonlinear visco-elastic and elasto-plastic material behavior at finite strains. To characterize and further validate the model, mechanical as well as thermal experiments are conducted for polyamide 6 (PA6). Here, a blending strategy of PA6 together with an amorphous co-polymer is introduced during specimen production to achieve a wider range of stable DOCs(approximately 15%). The model formulation is successfully applied to experimental results and its predictions are in good agreement with experimental observations. Materials science ; Characterization (materials science) ; Polyamide ; Work (physics) ; Thermal ; Thermoforming ; Crystallinity ; Structural material ; Nonlinear system ; Composite material ; Material properties ; Polymer ; Thermoplastic ; Constitutive equation ; Mechanical engineering ; Finite element method ; Structural engineering ; Nanotechnology ; Thermodynamics Polymer crystallization and properties ; Polymer Nanocomposites and Properties ; Elasticity and Material Modeling
Authors: Addisie Geremew | L. S. Palmer | Andre Johnson | Sheena Reeves | Nigel Brooks | Laura Carson
Source: Heliyon (article, 2024-04-30)
Field: Materials Science — Materials Chemistry

Multi-functional copper oxide nanoparticles synthesized using Lagerstroemia indica leaf extracts and their applications Developing multifunctional nanomaterials through environmentally friendly and efficient approaches is a pivotal focus in nanotechnology. This study aimed to employ a biogenic method to synthesize multifunctional copper oxide nanoparticles (LI-CuO NPs) with diverse capabilities, including antibacterial, antioxidant, and seed priming properties, as well as photocatalytic organic dye degradation and wastewater treatment potentials using <i>Lagerstroemia indica</i> leaf extract. The synthesized LI-CuO NPs were extensively characterized using UV-vis spectroscopy, dynamic light scattering (DLS), X-ray diffraction (XRD), scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDX), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and Fourier transform-infrared spectroscopy (FT-IR). The colloid displayed surface plasmon resonance peaks at 320 nm, characteristic of LI-CuO NPs. DLS analysis revealed an average particle size of 93.5 nm and a negative zeta potential of -20.3 mV. FTIR and XPS analyses demonstrated that LI-CuO NPs possessed abundant functional groups that acted as stabilizing agents. XRD analysis indicated pure crystalline and spherical LI-CuO NPs measuring 36 nm in size. Antibacterial tests exhibited significant differential activity of LI-CuO NPs against both gram-negative (<i>Escherichia coli</i>, <i>Salmonella typhimurium</i>) and gram-positive (<i>Staphylococcus aureus</i> and <i>Listeria monocytogenes</i>) bacteria. In antioxidant tests, the LI-CuO NPs demonstrated a remarkable radical scavenging activity of 97.6 % at a concentration of 400 μg mL<sup>-1</sup>. These nanoparticles were also found to enhance mustard seed germination at low concentrations. With a remarkable reusability, LI-CuO NPs exhibited excellent photocatalytic performance, with a degradation efficiency of 97.6 % at 150 μg/mL as well as a 95.6 % reduction in turbidity when applied to wastewater treatment. In conclusion, this study presents environmentally friendly method for the facile synthesis of LI-CuO NPs that could potentially offer promising applications in biomedicine, agriculture, and environmental remediation due to their multifunctional properties. X-ray photoelectron spectroscopy ; Nuclear chemistry ; Fourier transform infrared spectroscopy ; Nanoparticle ; Dynamic light scattering ; Materials science ; Nanomaterials ; Zeta potential ; Antibacterial activity ; Particle size ; Scanning electron microscope ; Chemistry ; Chemical engineering ; Nanotechnology ; Bacteria ; Biology Nanoparticles: synthesis and applications ; Copper-based nanomaterials and applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Koichi Okamoto | Daisuke Tanaka | Tetsuya Matsuyama | Kenji Wada | Yusuke Arima | Kaoru Tamada
Source: Photonics (article, 2024-03-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Design and Optimization of Silver Nanostructured Arrays in Plasmonic Metamaterials for Sensitive Imaging Applications This paper delves into the strategic design and optimization of silver (Ag) nanostructured arrays within plasmonic metamaterials, targeting the enhancement of imaging sensitivity. Leveraging Finite-Difference Time-Domain (FDTD) simulations, our research rigorously compares various Ag nanostructured geometries, including nanospheres, nanocones, nanodisks, and nanocubes. The aim is to pinpoint configurations that significantly enhance electric field localization on the surfaces of nanostructures, a pivotal factor. The nanocube array exhibits superior field enhancement, particularly in narrow nanogaps, suggesting its suitability for high-sensitivity applications. Further exploration into nanocube arrays reveals the crucial role of nanogap size and spacer layer thickness in tuning the optical properties through the manipulation of Fabry–Pérot and mirror image modes in metal–insulator–metal (MIM) structures. By presenting a thorough analysis of these nanostructured arrays, the study not only contributes to our understanding of the fundamental principles governing plasmonic metamaterials but also provides a solid foundation for future innovation in highly sensitive imaging applications. It underscores the importance of nanostructure design and optimization in achieving significant improvements in the performance of plasmonic devices, marking a pivotal step forward in the field of nanophotonics and its application to sensitive imaging technologies. Metamaterial ; Plasmon ; Materials science ; Optoelectronics ; Nanotechnology ; Computer science ; Optics ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Metamaterials and Metasurfaces Applications
Authors: Miao Cui | Fei Deng | Mary L. Disis | Chao Cheng | Lanjing Zhang
Source: Exploratory Research and Hypothesis in Medicine (article, 2024-07-03)
Field: Chemistry — Spectroscopy

Advances in the Clinical Application of High-throughput Proteomics High-throughput proteomics has become an exciting field and a potential frontier of modern medicine since the early 2000s. While significant progress has been made in the technical aspects of the field, translating proteomics to clinical applications has been challenging. This review summarizes recent advances in clinical applications of high-throughput proteomics and discusses the associated challenges, advantages, and future directions. We focus on research progress and clinical applications of high-throughput proteomics in breast cancer, bladder cancer, laryngeal squamous cell carcinoma, gastric cancer, colorectal cancer, and coronavirus disease 2019. The future application of high-throughput proteomics will face challenges such as varying protein properties, limitations of statistical modeling, technical and logistical difficulties in data deposition, integration, and harmonization, as well as regulatory requirements for clinical validation and considerations. However, there are several noteworthy advantages of high-throughput proteomics, including the identification of novel global protein networks, the discovery of new proteins, and the synergistic incorporation with other omic data. We look forward to participating in and embracing future advances in high-throughput proteomics, such as proteomics-based single-cell biology and its clinical applications, individualized proteomics, pathology informatics, digital pathology, and deep learning models for high-throughput proteomics. Several new proteomic technologies are noteworthy, including data-independent acquisition mass spectrometry, nanopore-based proteomics, 4-D proteomics, and secondary ion mass spectrometry. In summary, we believe high-throughput proteomics will drastically shift the paradigm of translational research, clinical practice, and public health in the near future. Proteomics ; Computer science ; Throughput ; Computational biology ; Data science ; Biology Advanced Proteomics Techniques and Applications
Authors: Dylan Valli | Saik Ann Ooi | Giorgio Scattolini | Himanshu Chaudhary | Alesia A. Tietze | Michał Maj
Source: Biophysical Journal (article, 2024-02-17)
Field: Chemistry — Spectroscopy

Improving cryo-EM grids for amyloid fibrils using interface-active solutions and spectator proteins Preparation of cryoelectron microscopy (cryo-EM) grids for imaging of amyloid fibrils is notoriously challenging. The human islet amyloid polypeptide (hIAPP) serves as a notable example, as the majority of reported structures have relied on the use of nonphysiological pH buffers, N-terminal tags, and seeding. This highlights the need for more efficient, reproducible methodologies that can elucidate amyloid fibril structures formed under diverse conditions. In this work, we demonstrate that the distribution of fibrils on cryo-EM grids is predominantly determined by the solution composition, which is critical for the stability of thin vitreous ice films. We discover that, among physiological pH buffers, HEPES uniquely enhances the distribution of fibrils on cryo-EM grids and improves the stability of ice layers. This improvement is attributed to direct interactions between HEPES molecules and hIAPP, effectively minimizing the tendency of hIAPP to form dense clusters in solutions and preventing ice nucleation. Furthermore, we provide additional support for the idea that denatured protein monolayers forming at the interface are also capable of eliciting a surfactant-like effect, leading to improved particle coverage. This phenomenon is illustrated by the addition of nonamyloidogenic rat IAPP (rIAPP) to a solution of preaggregated hIAPP just before the freezing process. The resultant grids, supplemented with this "spectator protein", exhibit notably enhanced coverage and improved ice quality. Unlike conventional surfactants, rIAPP is additionally capable of disentangling the dense clusters formed by hIAPP. By applying the proposed strategies, we have resolved the structure of the dominant hIAPP polymorph, formed in vitro at pH 7.4, to a final resolution of 4 Å. The advances in grid preparation presented in this work hold significant promise for enabling structural determination of amyloid proteins which are particularly resistant to conventional grid preparation techniques. Fibril ; Biophysics ; Chemistry ; Amyloid (mycology) ; Nucleation ; Amyloid fibril ; Crystallography ; Nanotechnology ; Amyloid β ; Materials science ; Biochemistry ; Biology Advanced NMR Techniques and Applications ; Spectroscopy and Quantum Chemical Studies ; Electrostatics and Colloid Interactions
Authors: Yieljae Shin | Jaehyeon Ryu | Tianyu Bai | Yi Qiang | Yongli Qi | Gen Li | Yunxiang Huang | Kyung Jin Seo | Hui Fang
Source: Biosensors and Bioelectronics (article, 2024-05-21)
Field: Materials Science — Polymers and Plastics

Array-wide uniform PEDOT:PSS electroplating from potentiostatic deposition Electroplating ; PEDOT:PSS ; Materials science ; Deposition (geology) ; Metallurgy ; Chemical engineering ; Nanotechnology ; Optoelectronics ; Engineering ; Geology ; Layer (electronics) Conducting polymers and applications ; Neuroscience and Neural Engineering ; Molecular Junctions and Nanostructures
Authors: Haoyi Tan | Guangcun Shan
Source: iScience (article, 2024-02-05)
Field: Chemistry — Inorganic Chemistry

Computational screening and functional tuning of chemically stable metal organic frameworks for I2/CH3I capture in humid environments High chemical stability is of vital significance in rendering metal organic frameworks (MOFs) as promising adsorbents for capturing leaked radioactive nuclides, under real nuclear industrial conditions with high humidity. In this work, grand canonical Monte Carlo (GCMC) and density functional theory (DFT) methods have been employed to systematically evaluate I<sub>2</sub>/CH<sub>3</sub>I capture performances of 21 experimentally confirmed chemically stable MOFs in humid environments. Favorable structural factors and the influence of hydrophilicity for iodine capture were unveiled. Subsequently, the top-performing MIL-53-Al with flexible tunability was functionalized with different functional groups to achieve the better adsorption performance. It has been revealed that the adsorption affinity and pore volume were two major factors altered by the functionalization of polar functional groups, which collectively influenced the iodine adsorption properties. In general, this work has screened the chemically stable high-performance MOF iodine adsorbents and provided comprehensive insights into the key factors affecting I<sub>2</sub>/CH<sub>3</sub>I uptake and separation in humid environments. Metal-organic framework ; Nanotechnology ; Chemistry ; Materials science ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Crystallography and molecular interactions
Authors: Youhua Bu | Jianing Luo | Jiabao Li | Chi Qian | Wenchuan Guo
Source: International Journal of Food Science & Technology (article, 2024-07-30)
Field: Chemistry — Analytical Chemistry

Detection of hidden bruises on kiwifruit using hyperspectral imaging combined with deep learning Abstract During harvesting, transportation and storage of kiwifruit, the flesh is often bruised by collision or compression. However, the bruises in kiwifruit are extremely difficult to recognise by naked eyes and are called hidden bruises. Accordingly, a fast method for detecting hidden bruises in kiwifruit was developed in this study based on hyperspectral imaging (HSI) coupled with deep learning. The spectral range (924–1277 nm) and feature wavelengths (928.19, 1051.03 and 1190.47 nm) sensitive to hidden bruises in kiwifruit were selected using the principal component analysis (PCA). Subsequently, three-channel images (Dataset 1), grayscale images (Dataset 2) and pseudo-colour images (Dataset 3) were generated according to the images of feature wavelengths of the kiwifruit. The YOLOv5s model for detecting the hidden bruised areas of the kiwifruit was developed using these three datasets. The results showed that the YOLOv5s detection model performed best at Dataset 1, and the values of Precision, Recall, F1, mAP and FNR of this model were 98.25%, 97.50%, 97.87%, 99.12% and 2.50% respectively. The study showed that HSI technology combined with the YOLOv5s model can effectively detect hidden bruises in kiwifruit, providing references for detecting hidden bruises in other fruit. Artificial intelligence ; Hyperspectral imaging ; Bruise ; Pattern recognition (psychology) ; Computer science ; Actinidia chinensis ; Grayscale ; Feature (linguistics) ; Principal component analysis ; Computer vision ; Image (mathematics) ; Horticulture ; Medicine ; Biology Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Identification and Quantification in Food
Authors: Jia Liang | Qing Ai | Xiewen Wen | Xiuyu Tang | Tianshu Zhai | Rui Xu | Xiang Zhang | Qiyi Fang | Christine Nguyen | Yifeng Liu | Hanyu Zhu | Tanguy Terlier | Gary P. Wiederrecht | Pulickel M. Ajayan | Xiaofeng Qian | Jun Lou
Source: Materials Today (article, 2024-03-20)
Field: Materials Science — Materials Chemistry

Strong interlayer coupling and long-lived interlayer excitons in two-dimensional perovskite derivatives and transition metal dichalcogenides van der Waals heterostructures Heterojunction ; Exciton ; van der Waals force ; Materials science ; Condensed matter physics ; Transition metal ; Nanotechnology ; Optoelectronics ; Chemistry ; Physics ; Quantum mechanics ; Molecule 2D Materials and Applications ; Perovskite Materials and Applications ; MXene and MAX Phase Materials