jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: LingNan Wei | Qiaoling Xu | Yangchen He | Qingxin Li | Yan Huang | Wang Zhu | Kenji Watanabe | Takashi Taniguchi | Martin Claassen | Daniel Rhodes | Dante M. Kennes | Lede Xian | Ángel Rubio | Lei Wang
Source: Proceedings of the National Academy of Sciences (article, 2024-04-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Linear resistivity at van Hove singularities in twisted bilayer WSe <sub>2</sub> Different mechanisms driving a linear temperature dependence of the resistivity <i>ρ</i> ∼ <i>T</i> at van Hove singularities (VHSs) or metal-insulator transitions when doping a Mott insulator are being debated intensively with competing theoretical proposals. We experimentally investigate this using the exceptional tunability of twisted bilayer (TB) WSe<sub>2</sub> by tracking the parameter regions where linear-in-<i>T</i> resistivity is found in dependency of displacement fields, filling, and magnetic fields. We find that even when the VHSs are tuned rather far away from the half-filling point and the Mott insulating transition is absent, the <i>T</i>-linear resistivity persists at the VHSs. When doping away from the VHSs, the <i>T</i>-linear behavior quickly transitions into a Fermi liquid behavior with a <i>T</i><sup>2</sup> relation. No apparent dependency of the linear-in-<i>T</i> resistivity, besides a rather strong change of prefactor, is found when applying displacement fields as long as the filling is tuned to the VHSs, including D ∼ 0.28 V/nm where a high-order VHS is expected. Intriguingly, such non-Fermi liquid linear-in-<i>T</i> resistivity persists even when magnetic fields break the spin-degeneracy of the VHSs at which point two linear in <i>T</i> regions emerge, for each of the split VHSs separately. This points to a mechanism of enhanced scattering at generic VHSs rather than only at high-order VHSs or by a quantum critical point during a Mott transition. Our findings provide insights into the many-body consequences arising out of VHSs, especially the non-Fermi liquid behavior found in moiré materials. Condensed matter physics ; Physics ; Electrical resistivity and conductivity ; Mott insulator ; Fermi liquid theory ; Mott transition ; Fermi surface ; Quantum mechanics ; Hubbard model ; Superconductivity Organic and Molecular Conductors Research ; Physics of Superconductivity and Magnetism ; Quantum and electron transport phenomena
Authors: Yatai Ji | Paolo Giangrande | Weiduo Zhao
Source: Energies (review, 2024-08-11)
Field: Materials Science — Materials Chemistry

Effect of Environmental and Operating Conditions on Partial Discharge Activity in Electrical Machine Insulation: A Comprehensive Review Electrical machines for transportation applications are subjected to harsh environmental conditions during their operations. Partial discharge (PD), which is one of the main reasons for insulation failure, is greatly affected by ambient conditions (i.e., temperature, pressure, and humidity). Countless efforts are made for a comprehensive understanding of the physics of PD under variable environmental factors. This paper aims to review recent works addressing temperature, pressure, and humidity impact on PD activity. The main content of the paper is organized into three sections dealing with each environmental factor. In every section, relevant publications are reviewed considering the type of samples tested, voltage waveform applied, mutual effects, and the most common PD modeling strategies used. The applicability of the PD measurements for PD risk assessment is also discussed. Based on the review, the current progress in understanding the environmental effects on the PD inception mechanism and PD characteristics is presented and discussed in detail, and future research trends in this field are outlined. Partial discharge ; Humidity ; Environmental science ; Voltage ; Waveform ; Current (fluid) ; Computer science ; Reliability engineering ; Mechanical engineering ; Electrical engineering ; Engineering ; Meteorology ; Physics High voltage insulation and dielectric phenomena ; Electrostatic Discharge in Electronics ; Power Transformer Diagnostics and Insulation
Authors: Pavlos G. Doulidis | Benno Kuropka | Carolina Frizzo Ramos | Alexandro Rodríguez-Rojas | Iwan A. Burgener
Source: Frontiers in Veterinary Science (article, 2024-04-04)
Field: Chemistry — Spectroscopy

Characterization of the plasma proteome from healthy adult dogs Among all the samples, some of the most abundant proteins identified were apolipoprotein A and B, albumin, alpha-2-macroglobulin, fibrinogen beta chain, fibronectin, complement C3, serotransferrin, and coagulation factor V. However, neither of the depletion techniques achieved significant depletion of highly abundant proteins. Despite this limitation, we could detect and quantify many clinically relevant proteins. Determining the healthy canine proteome is a crucial first step in establishing a reference proteome for canine plasma. After enrichment, this reference proteome can later be utilized to identify protein markers associated with different diseases, thereby contributing to the diagnosis and prognosis of various pathologies. Proteome ; Albumin ; Blood proteins ; Proteomics ; Apolipoprotein B ; Fibrinogen ; Chemistry ; Medicine ; Computational biology ; Biology ; Biochemistry ; Cholesterol Advanced Proteomics Techniques and Applications ; Blood properties and coagulation ; Erythrocyte Function and Pathophysiology
Authors: Sebastiano Cominelli | Benjamin Vial | Sébastien Guenneau | Richard V. Craster
Source: Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences (article, 2024-05-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Isospectral open cavities and gratings Open cavities are often an essential component in the design of ultra-thin subwavelength metasurfaces and a typical requirement is that cavities have precise, often low frequency, resonances while simultaneously being physically compact. To aid this design challenge, we develop a methodology to allow isospectral twinning of reference cavities with either smaller or larger ones, enforcing their spectra to coincide so that open resonators are identical in terms of their complex eigenfrequencies. For open systems, the spectrum is not purely discrete and real, and we pay special attention to the accurate twinning of leaky modes associated with complex-valued eigenfrequencies with an imaginary part orders of magnitude lower than the real part. We further consider twinning of two-dimensional gratings, and model these with Floquet–Bloch conditions along one direction and perfectly matched layers in the other one; complex eigenfrequencies of special interest are located in the vicinity of the positive real line and further depend upon the Bloch wavenumber. The isospectral behaviour is illustrated, and quantified, throughout by numerical simulation using finite-element analysis. Isospectral ; Optics ; Physics ; Computer science ; Mathematical physics Metamaterials and Metasurfaces Applications ; Acoustic Wave Phenomena Research ; Thermal Radiation and Cooling Technologies
Authors: Hyun Hee Song | Hyunwoo Choi | Seonghan Kim | Hwan Gyu Kim | Sangmin An | Sejung Kim | Hoon Jang
Source: Animal Cells and Systems (article, 2024-10-02)
Field: Materials Science — Materials Chemistry

Nitrogen-doped carbon quantum dot regulates cell proliferation and differentiation by endoplasmic reticulum stress Quantum dots have diverse biomedical applications, from constructing biological infrastructures like medical imaging to advancing pharmaceutical research. However, concerns about human health arise due to the toxic potential of quantum dots based on heavy metals. Therefore, research on quantum dots has predominantly focused on oxidative stress, cell death, and other broader bodily toxicities. This study investigated the toxicity and cellular responses of mouse embryonic stem cells (mESCs) and mouse adult stem cells (mASCs) to nitrogen-doped carbon quantum dots (NCQDs) made of non-metallic materials. Cells were exposed to NCQDs, and we utilized a fluorescent ubiquitination-based cell system to verify whether NCQDs induce cytotoxicity. Furthermore, we validated the differentiation-inducing impact of NCQDs by utilizing embryonic stem cells equipped with the Oct4 enhancer-GFP reporter system. By analyzing gene expression including Crebzf, Chop, and ATF6, we also observed that NCQDs robustly elicited endoplasmic reticulum (ER) stress. We confirmed that NCQDs induced cytotoxicity and abnormal differentiation. Interestingly, we also confirmed that low concentrations of NCQDs stimulated cell proliferation in both mESCs and mASCs. In conclusion, NCQDs modulate cell death, proliferation, and differentiation in a concentration-dependent manner. Indiscriminate biological applications of NCQDs have the potential to cause cancer development by affecting normal cell division or to fail to induce normal differentiation by affecting embryonic development during pregnancy. Therefore, we propose that future biomedical applications of NCQDs necessitate comprehensive and diverse biological studies. Endoplasmic reticulum ; Carbon fibers ; Cell biology ; Stress (linguistics) ; Doping ; Nitrogen ; Chemistry ; Cell growth ; Cell ; Unfolded protein response ; Nanotechnology ; Materials science ; Biology ; Biochemistry ; Optoelectronics Carbon and Quantum Dots Applications ; Graphene and Nanomaterials Applications ; Advanced Nanomaterials in Catalysis
Authors: Sarah Barakat | Şeyma Çimen | Seyed Mohammad Miri | Emre Vatandaşlar | Hayriye Ecem Yelkenci | Alejandro San Martín | Mustafa Çağlar Beker | Kıvanç Kök | Gürkan Öztürk | Emrah Eroğlu
Source: Redox Biology (article, 2024-11-02)
Field: Chemistry — Spectroscopy

Bioenergetic shift and proteomic signature induced by lentiviral-transduction of GFP-based biosensors Fluorescent proteins (FPs) stand as pivotal tools extensively employed across diverse biological research endeavors in various model systems. However, long-standing concerns surround their use due to the numerous side effects associated with their expression. Recent investigations have brought to light the significance of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) that is associated with the maturation process of green fluorescent protein (GFP) fluorophores. The structural and functional impairments associated with GFP expression are possibly linked to this amount of H<sub>2</sub>O<sub>2</sub>. In this study, we assess the impact of the GFP-based HyPer7 biosensor on cellular homeostasis and proteome changes, aiming to identify potential risks related to oxidative stress responses that potentially risks the application of such tools. Cells expressing genome-integrated HyPer7 demonstrated altered mitochondrial membrane potential (MMP), which was alleviated by the addition of antioxidants or culturing cells at physiological normoxia (5 kPa O<sub>2</sub>). Additionally, HyPer7-expressing cells also exhibited significant impairment in mitochondrial oxidative respiration, suggesting broader mitochondrial dysfunction. Through untargeted proteomics analysis, we identified 26 proteins exhibiting differential expression in HyPer7-expressing cells compared to respective control cells. Functional annotation analysis showed that the list of the delineated proteins is associated with cellular responses to stress and the regulation of antioxidant mechanisms. Our findings underscore the significance of caution and validation in ensuring a thorough comprehension of cellular responses when using fluorescent protein-based tools, thereby enhancing the reliability of the results. Green fluorescent protein ; Transduction (biophysics) ; Bioenergetics ; Biology ; Cell biology ; Signal transduction ; Signature (topology) ; Computational biology ; Gene ; Mitochondrion ; Biochemistry Advanced Proteomics Techniques and Applications ; ATP Synthase and ATPases Research ; Mitochondrial Function and Pathology
Authors: Michal Greguš | Antonius Koller | Somak Ray | Alexander R. Ivanov
Source: Journal of Proteome Research (article, 2024-05-01)
Field: Chemistry — Spectroscopy

Improved Data Acquisition Settings on Q Exactive HF-X and Fusion Lumos Tribrid Orbitrap-Based Mass Spectrometers for Proteomic Analysis of Limited Samples Deep proteomic profiling of complex biological and medical samples available at low nanogram and subnanogram levels is still challenging. Thorough optimization of settings, parameters, and conditions in nanoflow liquid chromatography-tandem mass spectrometry (MS)-based proteomic profiling is crucial for generating informative data using amount-limited samples. This study demonstrates that by adjusting selected instrument parameters, e.g., ion injection time, automated gain control, and minimally altering the conditions for resuspending or storing the sample in solvents of different compositions, up to 15-fold more thorough proteomic profiling can be achieved compared to conventionally used settings. More specifically, the analysis of 1 ng of the HeLa protein digest standard by Q Exactive HF-X Hybrid Quadrupole-Orbitrap and Orbitrap Fusion Lumos Tribrid mass spectrometers yielded an increase from 1758 to 5477 (3-fold) and 281 to 4276 (15-fold) peptides, respectively, demonstrating that higher protein identification results can be obtained using the optimized methods. While the instruments applied in this study do not belong to the latest generation of mass spectrometers, they are broadly used worldwide, which makes the guidelines for improving performance desirable to a wide range of proteomics practitioners. Orbitrap ; Mass spectrometry ; Chemistry ; Chromatography ; Tandem mass spectrometry ; Proteomics ; Tandem mass tag ; Analytical Chemistry (journal) ; Quantitative proteomics ; Biochemistry Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Sambasiva Naik Nunsavathu | K . Rajaganapathy
Source: International Journal of Pharmaceutical Quality Assurance (review, 2024-09-25)
Field: Chemistry — Analytical Chemistry

A Review on QbD Approach in Analytical Method Development and Validation . Quality by Design (QbD) is a cutting-edge pharmaceutical development that enhances analytical method robustness by emphasizing a thorough understanding of processes, risk management, and continuous improvement. Unlike traditional methods that often focus on end-product testing, QbD integrates quality into the development stages through a structured process. This involves defining the analytical target profile, identifying critical quality attributes, and employing the design of experiments to optimize method parameters. The implementation of QbD begins with a comprehensive understanding of the analytical objectives, leading to the identification of method variables that impact quality. Using risk assessment tools such as failure mode and effects analysis, developers can pinpoint potential risks and focus on areas of highest concern. Design of Experiments (DoE) plays a crucial role in this approach by exploring the interaction between variables and establishing a robust design space. Organizations can decrease variability, comply with regulations, and perform better methods when they adopt QbD concepts. This systematic approach not only minimizes the risk of method failures but also ensures consistent product quality, leading to increased patient safety and satisfaction. Furthermore, QbD facilitates faster development cycles and cost efficiencies by reducing the need for post-launch troubleshooting and modifications. This abstract provides a comprehensive overview of the role and significance of QbD in analytical method development, highlighting its components, benefits, and impact on the pharmaceutical industry. Computer science ; Reliability engineering ; Process engineering ; Engineering Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis
Authors: W. Somogyi | S. N. Yurchenko | Gap‐Sue Kim
Source: Physical Chemistry Chemical Physics (article, 2024-01-01)
Field: Chemistry — Spectroscopy

An <i>ab initio</i> spectroscopic model of the molecular oxygen atmospheric and infrared bands We present a unified variational treatment of the magnetic dipole matrix elements, Einstein coefficients and line strength for general open-shell diatomic molecules in the general purpose diatomic code Duo. Building on previous work in which similar expressions for the electric quadrupole transitions were developed, we also present a complete <i>ab initio</i> spectroscopic model for the infrared, electric dipole-forbidden, spectrum of the <sup>16</sup>O<sub>2</sub> molecule. The model covers seven states, namely the X <sup>3</sup>Σ-g, a <sup>1</sup>Δ<sub>g</sub>, b <sup>1</sup>Σ+g, I <sup>1</sup>Π<sub>g</sub>, II <sup>1</sup>Π<sub>g</sub>, I <sup>3</sup>Π<sub>g</sub> and II <sup>3</sup>Π<sub>g</sub> states, for which 7 potential energy, 6 electronic angular momentum, 7 spin-orbit, and 14 quadrupole moment curves are calculated using ic-MRCI theory and an aug-cc-pV5Z basis set. These curves are diabatised to remove avoided crossings between the excited Π states, and the resultant properties are used to produce a line list for higher-order transitions of astrophysical interest. Diatomic molecule ; Ab initio ; Infrared ; Dipole ; Atomic physics ; Open shell ; Physics ; Matrix (chemical analysis) ; Line (geometry) ; Molecule ; Einstein coefficients ; Chemistry ; Molecular physics ; Quantum mechanics ; Geometry ; Spectral line ; Mathematics Spectroscopy and Laser Applications ; Atmospheric Ozone and Climate ; Atmospheric and Environmental Gas Dynamics
Authors: Zhou Li | Jiangang Yin | Wei Wang | Fucai Liu | Min Xiao | Yibo Yang | Haibo Cui
Source: Buildings (article, 2024-08-19)
Field: Materials Science — Materials Chemistry

Effect of Vibration Mixing on the Mechanical Properties of Carbon Nanotube-Reinforced Ultra-High-Performance Concrete Vibration mixing, characterized by the high-frequency vibrations of the mixing shaft, can enhance the mechanical properties of ultra-high-performance concrete (UHPC). However, the effects of vibration mixing on carbon nanotube (CNT)-reinforced UHPC have not been previously reported. To investigate the impact of vibration mixing on the properties of CNT-reinforced UHPC, a comparative study was conducted using different vibration mixing durations and twin-shaft mixing. The results indicate that for CNT-reinforced UHPC, vibration mixing achieves better flowability, higher wet apparent density, and superior mechanical properties in shorter mixing times compared to twin-shaft mixing, making it a more favorable method. Considering vibration mixing times ranging from 3 to 7 min, the optimal time was found to be 3 min, during which the axial compressive strength increased by 3.3%, the elastic limit tensile strength and tensile strength improved by 14.6% and 15.8%, respectively, and the initial cracking strength and flexural strength increased by 12.6% and 13.4%, respectively, compared to values after 10 min of twin-shaft mixing. Carbon nanotube ; Materials science ; Composite material ; Vibration ; Mixing (physics) ; Mechanical vibration ; Structural engineering ; Acoustics ; Engineering ; Physics Carbon Nanotubes in Composites ; Nanotechnology research and applications ; Smart Materials for Construction
Authors: Jennifer Feron | Luke Conaboy | James S. Bolton | Emma Chapman | Martin G. Haehnelt | Laura C. Keating | Girish Kulkarni | Ewald Puchwein
Source: Monthly Notices of the Royal Astronomical Society (preprint, 2024-07-05)
Field: Materials Science — Surfaces, Coatings and Films

The Lyman-limit photon mean free path at the end of late reionization in the Sherwood–Relics simulations ABSTRACT Recent evidence supporting reionization ending at redshift $z \lesssim 6$ includes the rapid redshift evolution of the mean free path, $\lambda _{\rm mfp}$, for Lyman-limit photons through the intergalactic medium (IGM) at $5\lt z\lt 6$. Here, we investigate $\lambda _{\rm mfp}$ predicted by the Sherwood–Relics suite of hybrid radiation hydrodynamical simulations. Simulations with comoving volumes of $40^{3}\, h^{-3}\rm \, cMpc^{3}$ ($160^{3}\, h^{-3}\rm \, cMpc^{3}$), calibrated to match the observed Ly $\alpha$ forest transmission with a late end to reionization at $z\lt 6$, are consistent with recent $\lambda _{\rm mfp}$ measurements at $z\lt 5.9$, and are $1.2\sigma$ ($1.8\sigma$) above the highest redshift $\lambda _{\rm mfp}$ measurement at $z=5.93$. The majority of the Lyman-limit opacity at the end of reionization is attributable to highly ionized Ly $\alpha$ forest absorbers with neutral hydrogen column densities $N_{\rm HI} \leq 10^{16}$–$10^{17}\rm \, cm^{-2}$. Resolving these systems is critical for capturing the redshift evolution of $\lambda _{\rm mfp}$ during the final stages of reionization. After reionization completes, overdense gas will reduce $\lambda _{\rm mfp}$ by up to 20 per cent around haloes with masses $M_{\rm h}\sim 10^{9}$–$10^{11}h^{-1}\, {\rm M}_{\odot }$, but during reionization ionized bubbles will instead boost $\lambda _{\rm mfp}$ around haloes by up to an order of magnitude when the IGM is as much as 90 per cent neutral by volume. This effect will play an important role in the visibility of Ly $\alpha$ emitting galaxies at $z\gtrsim 10$ discovered with JWST. Mean free path ; Limit (mathematics) ; Photon ; Physics ; Path (computing) ; Astronomy ; Astrophysics ; Optics ; Mathematics ; Computer science ; Mathematical analysis Electron and X-Ray Spectroscopy Techniques
Authors: Sesha Sai Behara | John Thomas | Brian Puchala | Anton Van der Ven
Source: Physical Review Materials (article, 2024-03-12)
Field: Materials Science — Materials Chemistry

Chemomechanics in alloy phase stability This work introduces a first-principles statistical mechanics method to calculate the free energies of crystalline alloys, including dependence on temperature, composition, and strain. The approach extends the alloy cluster expansion to include an explicit dependence on homogeneous strain in addition to site occupation variables that track chemical ordering. The method is applied to the Si-Ge binary alloy and is used to analyze phase stability under arbitrary epitaxial constraints. As a surrogate model, the new cluster expansion is a convenient compromise between the more restrictive configuration-only cluster expansions and machine-learned interatomic potentials, which require a substantially larger effort to train. Cluster expansion ; Materials science ; Cluster (spacecraft) ; Alloy ; Stability (learning theory) ; Work (physics) ; Phase (matter) ; Homogeneous ; Binary number ; Binary alloy ; Thermodynamics ; Statistical physics ; Epitaxy ; Metallurgy ; Nanotechnology ; Computer science ; Mathematics ; Physics ; Quantum mechanics ; Machine learning Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Advanced Chemical Physics Studies
Authors: Yahao Li | Enyu Jiang | Ziqi Ni | Wudi Li | Ming Huang | Fengyuan Zhao | Fengqi Liu | Yicong Ye | Shuxin Bai
Source: Computational Materials Science (article, 2024-11-07)
Field: Materials Science — Materials Chemistry

A study of the role of data and model uncertainty in active learning Active learning (machine learning) ; Computer science ; Psychology ; Artificial intelligence Machine Learning in Materials Science