jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Paul‐Albert Schneide | Neal B. Gallagher | Rasmus Bro
Source: Chemometrics and Intelligent Laboratory Systems (article, 2024-06-12)
Field: Chemistry — Spectroscopy

Shift invariant soft trilinearity: Modelling shifts and shape changes in gas-chromatography coupled mass spectrometry • The proposed method is a shift-invariant tri-linear decomposition that can effectively model peak shape changes in gas chromatography coupled mass spectrometry (GC-MS). The method automatically adapts to the complexity of the data, allowing for a fine-tuned flexibility in the modeling process. Performance on real GC-MS data indicates that the proposed method extends the shift-invariant tri-linearity constraint (SIT) and improves factor resolution if the data does not behave tri-linearly. Although the SIST method is more flexible than SIT, experiments with real data indicate that it suffers significantly less from rotational ambiguity than non-negative MCR-ALS. Furthermore, results on real GC-MS data indicate that SIST has faster convergence than PARAFAC2 and suffers less from local minima. Invariant (physics) ; Mass spectrometry ; Maxima and minima ; Linearity ; Gas chromatography–mass spectrometry ; Chemistry ; Algorithm ; Computer science ; Analytical Chemistry (journal) ; Biological system ; Chromatography ; Mathematics ; Physics ; Mathematical analysis Analytical Chemistry and Chromatography ; Spectroscopy and Chemometric Analyses ; Metabolomics and Mass Spectrometry Studies
Authors: Caralyn P. Collins | Junqing Leng | Rao Fu | Yonghui Ding | Guillermo A. Ameer | Cheng Sun
Source: Advanced Materials Technologies (article, 2024-02-29)
Field: Materials Science — Biomaterials

Investigation of 3D Printed Bioresorbable Vascular Scaffold Crimping Behavior The rise in additive manufacturing (AM) offers myriad opportunities for 3D-printed polymeric vascular scaffolds, such as customization and on-the-spot manufacturing, <i>in vivo</i> biodegradation, incorporation of drugs to prevent restenosis, and visibility under X-ray. To maximize these benefits, informed scaffold design is critical. Polymeric bioresorbable vascular scaffolds (BVS) must undergo significant deformation prior to implantation in a diameter-reduction process known as crimping which enables minimally invasive surgery. Understanding the behavior of vascular scaffolds in this step provides twofold benefits: first, it ensures the BVS is able to accommodate stresses occurring during this process to prevent failure, and further, it provides information on the radial strength of the BVS, a key metric to understanding its post-implant performance in the artery. To capitalize on the fast manufacturing speed AM provides, a low time cost solution for understanding scaffold performance during this step is necessary. Through simulation of the BVS crimping process in ABAQUS using experimentally obtained bulk material properties, we have developed a qualitative analysis tool which is capable of accurately comparing relative performance trends of varying BVS designs during crimping in a fraction of the time of experimental testing, thereby assisting in the integration of informed design into the additive manufacturing process. 3d printed ; Scaffold ; Bioresorbable scaffold ; 3D printing ; Biomedical engineering ; Materials science ; Personalization ; Computer science ; Composite material ; Engineering ; Medicine ; World Wide Web ; Percutaneous coronary intervention Electrospun Nanofibers in Biomedical Applications ; Additive Manufacturing and 3D Printing Technologies ; Bone Tissue Engineering Materials
Authors: Zhihao He | Bingxia Wang | Zhiang Qian | Kongsi Zhou | Xiang Shen | Yungui Ma
Source: Chinese Optics Letters (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Dynamic tunable LWIR achromatic metalens comprising all-As2Se3 microstructures In the field of long-wave infrared (LWIR) thermal imaging, vital for applications such as military surveillance and medical diagnostics, metalenses show immense potential for compact, lightweight, and low-power optical systems. However, to date, the development of LWIR broadband achromatic metalenses with dynamic tunable focus, which are suitable for both coaxial and off-axis applications, remains a large unexplored area. Herein, we have developed an extensive database of broadband achromatic all-As2Se3 microstructure units for the LWIR range. Utilizing this database with the particle swarm optimization (PSO) algorithm, we have designed and demonstrated LWIR broadband achromatic metalenses capable of coaxial and off-axis focusing with three dynamic tunable states. This research may have potential applications for the design of compact, high-performance optical devices, including those with extreme depth-of-field and wide-angle imaging capabilities. Achromatic lens ; Optics ; Materials science ; Optoelectronics ; Physics Phase-change materials and chalcogenides ; Infrared Target Detection Methodologies ; Advanced Optical Imaging Technologies
Authors: Baodian Fan | Hao Tang | Pinghui Wu | Yu Qiu | Linqin Jiang | Lingyan Lin | Jianzhi Su | Bomeng Zhou | Miao Pan
Source: Micromachines (article, 2024-01-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Actively Tunable “Single Peak/Broadband” Absorbent, Highly Sensitive Terahertz Smart Device Based on VO2 In recent years, the development of terahertz (THz) technology has attracted significant attention. Various tunable devices for THz waves (0.1 THz-10 THz) have been proposed, including devices that modulate the amplitude, polarization, phase, and absorption. Traditional metal materials are often faced with the problem of non-adjustment, so the designed terahertz devices play a single role and do not have multiple uses, which greatly limits their development. As an excellent phase change material, VO<sub>2</sub>'s properties can be transformed by external temperature stimulation, which provides new inspiration for the development of terahertz devices. To address these issues, this study innovatively combines metamaterials with phase change materials, leveraging their design flexibility and temperature-induced phase transition characteristics. We have designed a THz intelligent absorber that not only enables flexible switching between multiple functionalities but also achieves precise performance tuning through temperature stimulation. Furthermore, we have taken into consideration factors such as the polarization mode, environmental temperature, structural parameters, and incident angle, ensuring the device's process tolerance and environmental adaptability. Additionally, by exploiting the principle of localized surface plasmon resonance (LSPR) accompanied by local field enhancement, we have monitored and analyzed the resonant process through electric field characterization. In summary, the innovative approach and superior performance of this structure provide broader insights and methods for THz device design, contributing to its theoretical research value. Moreover, the proposed absorber holds potential for practical applications in electromagnetic invisibility, shielding, modulation, and detection scenarios. Terahertz radiation ; Materials science ; Optoelectronics ; Metamaterial ; Polarization (electrochemistry) ; Electromagnetic shielding ; Broadband ; Plasmon ; Electric field ; Cloaking ; Computer science ; Telecommunications ; Physics Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Terahertz technology and applications
Authors: Yuchao Liao | Tosiron Adegbija | Roman Lysecky
Source:  (article, 2024-10-27)
Field: Materials Science — Surfaces, Coatings and Films

Are LLMs Any Good for High-Level Synthesis? The increasing complexity and demand for faster, energy-efficient hardware designs necessitate innovative High-Level Synthesis (HLS) methodologies. This paper explores the potential of Large Language Models (LLMs) to streamline or replace the HLS process, leveraging their ability to understand natural language specifications and refactor code. We survey the current research and conduct experiments comparing Verilog designs generated by a standard HLS tool (Vitis HLS) with those produced by LLMs translating C code or natural language specifications. Our evaluation focuses on quantifying the impact on performance, power, and resource utilization, providing an assessment of the efficiency of LLM-based approaches. This study aims to illuminate the role of LLMs in HLS, identifying promising directions for optimized hardware design in applications such as AI acceleration, embedded systems, and high-performance computing. Computer science Electron and X-Ray Spectroscopy Techniques ; Machine Learning in Materials Science ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Lars B. Kruse | Kerstin Falk | Michael Moseler
Source: Tribology Letters (article, 2024-03-12)
Field: Materials Science — Materials Chemistry

Calculating High-Pressure PAO4 Viscosity with Equilibrium Molecular Dynamics Simulations Abstract The development of optimized lubricants is hindered by missing knowledge of fluid properties, in particular the viscosity, in the range of extreme pressures and temperatures relevant for application. Molecular dynamics simulations can be used to calculate viscosity, but the necessary computational effort imposes practical limits for high viscosities. In this study, the viscosity of PAO4 oil was extracted from equilibrium molecular dynamics simulations as a function of pressure and temperature reaching viscosities up to 20 Pas. Three calculation methods based on different microscopic expressions for the viscosity were used. The methods exhibit considerably different performance with respect to preciseness and computational efficiency. The highest viscosities were found to be calculated most efficiently via the Stokes–Einstein relation, by computing the diffusion coefficient from the velocity correlation function. This offers a new, more effective route to push viscosity calculations in equilibrium molecular dynamics simulations to higher pressure systems. Graphical Abstract Molecular dynamics ; Materials science ; Viscosity ; Dynamics (music) ; Thermodynamics ; High pressure ; Statistical physics ; Computational chemistry ; Physics ; Composite material ; Chemistry Thermal and Kinetic Analysis ; Chemical Thermodynamics and Molecular Structure ; Ionic liquids properties and applications
Authors: Xu Chen | Zhuohuai Guan | Haitong Li | Min Zhang
Source: Processes (article, 2024-11-28)
Field: Chemistry — Analytical Chemistry

A Machine Vision-Based Method of Impurity Detection for Rapeseed Harvesters The impurity rate is one of the core indicators for evaluating the quality of rapeseed combine harvesters. It directly affects the economic value of rapeseed. At present, the impurity rate of rapeseed combine harvesters mainly relies on manual detection during shutdown, which cannot be monitored in real time. Due to the lack of accurate real-time impurity rate data, the operation parameters of rapeseed harvesters mainly depend on the driver’s experience, which results in large fluctuations in field harvest quality. In this research, a machine vision-based method of impurity detection for rapeseed harvesters, including an image acquisition device and impurity detection algorithm, was developed. The image acquisition device is equipped with a direct-current light source, a conveyor belt, and an industrial camera for taking real-time images of rapeseed samples. Based on the color and shape characteristics of impurity and rapeseed, the detection of rapeseed and impurity was achieved. A quantitative model for the rapeseed impurity rate was constructed to calculate the real-time impurity rate of machine-harvested rapeseed accurately. The field experiment showed that the average accuracy of the detection system for the impurity rate in rapeseed was 86.36% compared with the manual detection data. The impurity detection system proposed in this paper can swiftly and effectively identify rapeseed and impurity and accurately calculate the impurity rate, which can be applied to rapeseed harvesters to provide data support for the adjustment of operating parameters. Rapeseed ; Impurity ; Machine vision ; Computer science ; Artificial intelligence ; Chemistry ; Food science Spectroscopy and Chemometric Analyses ; Identification and Quantification in Food ; Advanced Chemical Sensor Technologies
Authors: Guido Rincón | Yesenia Gonzalez | Clara I. Sánchez
Source: Radioprotection (article, 2024-01-29)
Field: Materials Science — Materials Chemistry

Risk perception among workers exposed to ionizing radiation: a qualitative view Ionizing radiation is energy in wave or particle form that can be absorbed by occupationally exposed professionals. With exposure, diseases may occur as defined by the International Agency for Research on Cancer Working Group on the Evaluation of Carcinogenic Risks to Humans 2000. Therefore, identifying hazards, assessing risks, and evaluating experiences of the involved parties, available resources, and work processes is necessary. We analysed risk perception compared with the pillars of radiological protection (justification/optimization/limitation) and the principles of distance/time/shielding. We used qualitative methodology under the phenomenological paradigm to assess participants perceptions regarding the ionizing radiation risk using conversational interviews. The data collection period was 2019–2020. The interpretative work was conducted by thematizing interviews, which were categorised and schematized for analysis. The practices of five participants with at least 20 years of experience in radiation use were explored. Five categories were identified. We found that the ‘As Low As Reasonably Achievable’ principle was recognised based on distance/time/shielding and according to the International Atomic Energy Agency (IAEA) and Bonn Call for Action. The justification associated with the risk/benefit was not associated with the fear of being wrong, with the understanding that, according to the IAEA, 30% of procedures are not justified. Risk perception ; Perception ; Radiological weapon ; Agency (philosophy) ; International agency ; Atomic energy ; Work (physics) ; Qualitative research ; Radiation protection ; Psychology ; Medicine ; Applied psychology ; Risk analysis (engineering) ; Environmental health ; Nuclear medicine ; Surgery ; Engineering ; Sociology ; Social science ; Mechanical engineering ; Cancer Graphite, nuclear technology, radiation studies ; Risk Perception and Management ; Risk and Safety Analysis
Authors: Víctor Urbiola-Salvador | Agnieszka Jabłońska | Dominika Miroszewska | Weronika Kamysz | Katarzyna Duzowska | Kinga Drężek-Chyła | Ronny Baber | René Thieme | Ines Gockel | Marek Zdrenka | Ewa Śrutek | Łukasz Szylberg | Michał Jankowski | Dariusz Bała | Wojciech Zegarski | Tomasz Nowikiewicz | Wojciech Makarewicz | Agnieszka Adamczyk | Aleksandra Ambicka | Marcin Przewoźnik | Agnieszka Harazin-Lechowska | Janusz Ryś | Katarzyna Macur | Paulina Czaplewska | Natalia Filipowicz | Arkadiusz Piotrowski | Jan P. Dumanski | Zhi Chen
Source: Biomarker Insights (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Mass Spectrometry Proteomics Characterization of Plasma Biomarkers for Colorectal Cancer Associated With Inflammation Our results suggest that C5 could be a potential biomarker for CRC diagnosis. Further validation studies will aid the application of these new potential biomarkers to improve CRC diagnosis and patient care. Colorectal cancer ; Proteomics ; Medicine ; Inflammation ; Mass spectrometry ; Cancer ; Bioinformatics ; Computational biology ; Oncology ; Internal medicine ; Biology ; Chemistry ; Chromatography ; Biochemistry Advanced Proteomics Techniques and Applications ; Inflammatory Biomarkers in Disease Prognosis ; Ferroptosis and cancer prognosis
Authors: Danial Fatchurrahman | Federico Marini | Mojtaba Nosrati | Andrea Peruzzi | Sergio Castellano | María Luisa Amodio | Giancarlo Colelli
Source: Foods (article, 2024-10-29)
Field: Chemistry — Analytical Chemistry

The Potential Application of Visible-Near Infrared (Vis-NIR) Hyperspectral Imaging for Classifying Typical Defective Goji Berry (Lycium barbarum L.) Goji berry is acknowledged for its notable medicinal attributes and elevated free radical scavenger properties. Nevertheless, its susceptibility to mechanical injuries and biological disorders reduces the commercial diffusion of the fruit. A hyperspectral imaging system (HSI) was employed to identify common defects in the Vis-NIR range (400-1000 nm). The sensorial evaluation of visual appearance was used to obtain the reference measurement of defects. A supervised classification model employing PLS-DA was developed using raw and pre-processed spectra, followed by applying a covariance selection algorithm (CovSel). The classification model demonstrated superior performance in two classifications distinguishing between sound and defective fruit, achieving an accuracy and sensitivity of 94.9% and 96.9%, respectively. However, when extended to a more complex task of classifying fruit into four categories, the model exhibited reliable results with an accuracy and sensitivity of 74.5% and 77.9%, respectively. These results indicate that a method based on hyperspectral visible-NIR can be implemented for rapid and reliable methods of online quality inspection securing high-quality goji berries. Lycium ; Hyperspectral imaging ; Berry ; Near-infrared spectroscopy ; Horticulture ; Botany ; Biology ; Chemistry ; Computer science ; Artificial intelligence ; Medicine Spectroscopy and Chemometric Analyses ; Seed and Plant Biochemistry ; Advances in Cucurbitaceae Research
Authors: Jiali He | Manuel Zahn | Ivan N. Ushakov | Leonie Richarz | Ursula Ludacka | Erik D. Roede | Z. Yan | Edith Bourret | I. Kézsmárki | Gustau Catalán | Dennis Meier
Source: Advanced Functional Materials (article, 2024-02-15)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Non‐Destructive Tomographic Nanoscale Imaging of Ferroelectric Domain Walls Abstract Extraordinary physical properties arise at polar interfaces in oxide materials, including the emergence of 2D electron gases, sheet‐superconductivity, and multiferroicity. A special type of polar interface is ferroelectric domain walls, where electronic reconstruction phenomena can be driven by bound charges. Great progress has been achieved in the characterization of such domain walls and, over the last decade, their potential for next‐generation nanotechnology has become clear. Established tomography techniques, however, are either destructive or offer insufficient spatial resolution, creating a pressing demand for 3D imaging compatible with future fabrication processes. Here, non‐destructive tomographic imaging of ferroelectric domain walls is demonstrated using secondary electrons. Utilizing conventional scanning electron microscopy (SEM), the position, orientation, and charge state of hidden domain walls are reconstructed at distances up to several hundreds of nanometers away from the surface. A mathematical model is derived that links the SEM intensity variations at the surface to the local domain wall properties, enabling non‐destructive tomography with good noise tolerance on the timescale of seconds. The SEM‐based approach facilitates high‐throughput screening of materials with functional domain walls and domain‐wall‐based devices, which is essential for monitoring during the production of device architectures and quality control in real‐time. Materials science ; Ferroelectricity ; Electron tomography ; Domain wall (magnetism) ; Tomographic reconstruction ; Tomography ; Nanotechnology ; Nanoscopic scale ; Domain (mathematical analysis) ; Optics ; Optoelectronics ; Scanning transmission electron microscopy ; Physics Multiferroics and related materials ; Electronic and Structural Properties of Oxides ; Ferroelectric and Piezoelectric Materials
Authors: Cinzia Cagnoli | Dalia De Santis | Claudio Caccia | Italia Bongarzone | Giulia Capitoli | L Rossini | Michele Rizzi | Francesco Deleo | Laura Tassi | Marco de Curtis | Rita Garbelli
Source: Epilepsia (article, 2024-10-05)
Field: Chemistry — Spectroscopy

<scp>Matrix‐assisted laser desorption/ionization</scp> mass spectrometry imaging as a new tool for molecular histopathology in epilepsy surgery This is the first study that explores the potential application of MALDI-MSI in epilepsy postsurgery fixed tissue, by utilizing the well-characterized FCDIIb features as a model. Extending these preliminary analyses to a larger cohort of patients will generate spectral libraries of molecular signatures that discriminate tissue features and will contribute to patient phenotyping. Mass spectrometry imaging ; MALDI imaging ; Pathology ; Epilepsy ; Histopathology ; Epilepsy surgery ; Tissue microarray ; Cortical dysplasia ; Mass spectrometry ; Matrix-assisted laser desorption/ionization ; Medicine ; Chemistry ; Computational biology ; Immunohistochemistry ; Biology ; Chromatography ; Desorption Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Epilepsy research and treatment
Authors: Nicholas Nuechterlein | Allison Shelbourn | Frank Szulzewsky | Sonali Arora | Michelle Casad | Siobhan S. Pattwell | Leyre Merino-Galán | Erik P. Sulman | Sumaita Arowa | Neriah Alvinez | M. Katherine Jung | Desmond Brown | Kayen Tang | Sadhana Jackson | Stefan Stoica | Prashant Chittaboina | Yeshavanth Banasavadi‐Siddegowda | Hans‐Georg Wirsching | Nephi Stella | Linda G. Shapiro | Patrick J. Paddison | Anoop P. Patel | Mark R. Gilbert | Zied Abdullaev | Kenneth Aldape | Drew Pratt | Eric C. Holland | Patrick J. Cimino
Source: Genes & Development (article, 2024-03-01)
Field: Chemistry — Organic Chemistry

Haploinsufficiency of phosphodiesterase 10A activates PI3K/AKT signaling independent of PTEN to induce an aggressive glioma phenotype Glioblastoma is universally fatal and characterized by frequent chromosomal copy number alterations harboring oncogenes and tumor suppressors. In this study, we analyzed exome-wide human glioblastoma copy number data and found that cytoband 6q27 is an independent poor prognostic marker in multiple data sets. We then combined CRISPR-Cas9 data, human spatial transcriptomic data, and human and mouse RNA sequencing data to nominate <i>PDE10A</i> as a potential haploinsufficient tumor suppressor in the 6q27 region. Mouse glioblastoma modeling using the RCAS/tv-a system confirmed that Pde10a suppression induced an aggressive glioma phenotype in vivo and resistance to temozolomide and radiation therapy in vitro. Cell culture analysis showed that decreased Pde10a expression led to increased PI3K/AKT signaling in a Pten-independent manner, a response blocked by selective PI3K inhibitors. Single-nucleus RNA sequencing from our mouse gliomas in vivo, in combination with cell culture validation, further showed that Pde10a suppression was associated with a proneural-to-mesenchymal transition that exhibited increased cell adhesion and decreased cell migration. Our results indicate that glioblastoma patients harboring <i>PDE10A</i> loss have worse outcomes and potentially increased sensitivity to PI3K inhibition. PTEN ; Haploinsufficiency ; Biology ; Phenotype ; Glioma ; Cancer research ; PI3K/AKT/mTOR pathway ; Protein kinase B ; Phosphodiesterase ; Signal transduction ; Cell biology ; Genetics ; Gene ; Enzyme ; Biochemistry Synthesis and Catalytic Reactions ; Histone Deacetylase Inhibitors Research ; PI3K/AKT/mTOR signaling in cancer