jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mohammad Amin Kazemi | Mohammad Zargartalebi | David Sinton
Source: Nature Communications (article, 2025-11-26)
Field: Materials Science — Materials Chemistry

Accurate and rapid measurement of fluid thermal conductivity A rapid energy transition will require new heat transfer fluids, and a faster means of discovering and optimizing them. Existing methods, however, are constrained by speed, accuracy, and sample volume - with accurate measurements requiring large sample volumes and long equilibration times. Here, we present a measurement approach that bypasses precise temperature measurement and heat flux measurements. Thermal conductivity, k, is determined by comparing thermally driven voltage variations across an array of resistive heaters embedded in fluid cavities. This measurement, relative to the reference material, minimizes errors from ambient temperature fluctuation, unquantified heat losses, and measurement uncertainties, and it eliminates direct temperature sensing. We report a microfluidic device and measurement method that implements in-run on-chip auto-calibration with a reference material; we test the device on a wide range of substances, including liquids, gases, mixtures, and nanofluids. It delivers results in <10 s, using ~5 µL of sample, about two orders of magnitude faster than conventional steady-state methods - while maintaining accuracy competitive with gold-standard techniques (mean signed error 0.0030 ± 0.0059 W/(m · K) (1.4% ± 3.1%), median absolute error 0.0019 W/(m · K) (MAPE 2.6 %), and expanded uncertainty of k, U = 8.3% ± 0.24% (SD across 10 runs)). This approach makes thermal conductivity measurement accessible to accelerated materials discovery and optimization workflows. Thermal conductivity ; Temperature measurement ; Resistive touchscreen ; Observational error ; Accuracy and precision ; Heat transfer ; Range (aeronautics) ; Volume (thermodynamics) ; Thermal ; Approximation error Thermal properties of materials ; Microfluidic and Capillary Electrophoresis Applications ; Mechanical and Optical Resonators
Authors: Lorenzo Carré | Francesca Natali | Giuseppe Zaccaı̈ | Vaitson Çumaku | Bruno Franzetti
Source: Journal of The Royal Society Interface (article, 2025-03-01)
Field: Chemistry — Spectroscopy

Determination of <i>in cellulo</i> proteome molecular dynamics in different halophilic Archaea While biophysical studies have unravelled properties of specific proteins <i>in vitro</i>, characterizing globally their native state within the cell remains a challenge. In particular, protein adaptation to harsh intracellular physical and chemical conditions is poorly understood. Extremophiles, which thrive in severe environments, are good models for the study of such adaptation. Five haloarchaeal species, isolated from hypersaline environments, were used to assess correlations between intracellular salt concentrations and molecular dynamics properties. <i>In cellulo</i> protein stability was measured using nano differential scanning fluorimetry, and neutron spectrometry was used to determine molecular dynamics resilience and global flexibility. It was found that high intracellular accumulation of Mg<sup>2+</sup> and low intracellular accumulation of K<sup>+</sup> were correlated with higher stability and resilience. Sequence traits associated with mean proteome halophilicity, such as decreased hydrophobicity and increased acidity, weighted by the relative abundance of each protein, were also correlated with stability and resilience. <i>Haloferax mediterranei</i>, however, was found to be an exception as its proteome showed the highest <i>in cellulo</i> molecular stability and resilience associated with fewest sequence traits related to halophilicity, highlighting the significance of the intracellular salt environment in determining proteome biophysical properties. Proteome ; Halophile ; Intracellular ; Archaea ; Biology ; Biochemistry ; Adaptation (eye) ; Halobacterium salinarum ; Computational biology ; Biophysics ; Chemistry ; Cell biology ; Genetics ; Bacteria ; Gene Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Enzyme Structure and Function
Authors: Yang Gao | Wenhui Liu | S. C. Pan | Jiahui Li | Jingwei Wang | Lin Chen | Ma Xue | Huan Leng
Source: Frontiers in Veterinary Science (review, 2025-11-24)
Field: Chemistry — Organic Chemistry

Hydroxytyrosol: biological activities and potential application in livestock production Hydroxytyrosol (HT) is a polyphenol compound that is widely present in the leaves and fruits of olive in the form of esters, which is one of the natural antioxidants. In recent years, a large number of studies have found that HT has good activity in anti-oxidant, anti-inflammatory, lipids lowering and other physiological functions. The purpose of this article is to provide solutions for the development of new feed additives under the premise of a complete ban on the use of antibiotics. In this review, we concluded the reports on HT in recent years and summarized its source, synthesis, digestion, absorption and metabolism of HT, as well as its main physiological functions, application prospects in animal production. Therefore, HT can be used as a potential new feed additive so as to provide theoretical basis and guidance for the development and application of hydroxytyrosol in animal husbandry. Hydroxytyrosol ; Livestock ; Production (economics) ; Polyphenol ; Feed additive Edible Oils Quality and Analysis ; Sunflower and Safflower Cultivation ; Potato Plant Research
Authors: Fabio Lapenta | Karen Palacio‐Rodríguez | Sergio Cruz-León | Simone Marrancone | Jana Aupič | N. Marechal | A. Durand | Dihia Moussaoui | Sonia Covaceuszach | Bhavani Gangupam | Claudia D’Ercole | Cristian Parra | Cotugno Davide | Giulia Tomaino | Paolo Tortora | Ario de Marco | Alberto Cassetta | Alessandra Magistrato | Gerhard Hummer
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-08-26)
Field: Materials Science — Materials Chemistry

Structural flexibility of the human vault protein revealed by high-resolution cryo-EM and molecular dynamics simulations ABSTRACT Vaults are massive ribonucleoprotein complexes, highly conserved and abundant in eukaryotic cells, yet with unclear function. Their thin-walled barrel-shape architecture is composed of two symmetrical, antiparallel half-shells, each containing 39 copies of the major vault protein (MVP). The spacious lumen of the vault suggests a role in cellular transport. To facilitate cargo encapsulation and release, the vault is thought to open into two halves, yet the molecular mechanism governing vault opening remains elusive. Here, we combine cryogenic electron microscopy (cryo-EM) and multi-scale molecular dynamics (MD) simulations to reveal the structural factors giving flexibility to the human vault protein. Using cryo-EM, we identified two alternative conformational states of the human vault, along with the half-vault shell. MD simulations of these structures show extensive, breathing-like motions, porous solvent-exposed surfaces, and distinct structural variability between conformational states. The stable intermediates and the flexibility at the interface of the half vaults together suggest a possible mechanism for the dynamic assembly and disassembly of the vault. Molecular dynamics ; Flexibility (engineering) ; Vault (architecture) ; Dynamics (music) ; High resolution ; Resolution (logic) ; Biophysics ; Computational biology ; Computer science ; Chemistry ; Physics ; Biology ; Engineering ; Geology ; Computational chemistry ; Mathematics ; Structural engineering ; Artificial intelligence ; Remote sensing Enzyme Structure and Function
Authors: Mohamed Mejdal | Amine El Harfouf | Mohamed Nfaoui | Sanaa Hayani Mounir | Khadija Choukairy | Khalil El-Hami
Source: WSEAS TRANSACTIONS ON HEAT AND MASS TRANSFER (article, 2025-04-30)
Field: Materials Science — Materials Chemistry

Energy Losses in Photovoltaic-Thermoelectric Hybrid System with and without Solar Concentrator A large part of solar irradiation is lost in different forms in the photovoltaic system hybridized with a TEG thermoelectric generator. This is disadvantageous for the best contribution of the TEG generator. The losses occur mainly on the front and rear of the PV-TEG hybrid system. They are usually radiation losses, natural convection losses, and forced convection losses due to the wind. In this paper, we studied the interaction of these different losses in both faces of the hybrid system according to different environmental factors such as solar radiation, ambient temperature, and wind speed. This study concerns two types of PV-TEG hybrid systems, the PV-TEG system with an optical concentrator and the one without an optical concentrator. It aims to determine the influence of environmental factors on these different losses and also to determine the dominant losses in both types of the PV-TEG hybrid system. The determination of the dominant losses and the estimation of their quantity makes it possible to make decisions for the optimization of these two hybrid systems, by adding solutions to reduce these dominant losses and transferring it towards the thermoelectric generator so that it can generate more electric power, and by avoiding that, these solutions strongly influence the performance of these two hybrid systems. For this purpose, an appropriate model is developed which includes all these losses. Photovoltaic system ; Solar cable ; Solar energy ; Engineering physics ; Photovoltaics ; Thermoelectric effect ; Photovoltaic thermal hybrid solar collector ; Concentrator ; Materials science ; Environmental science ; Solar mirror ; Electrical engineering ; Engineering ; Physics Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Solar Thermal and Photovoltaic Systems
Authors: Dario A. Leon | Mikael Kuisma | Mikkel Ohm Sauer | Jakob K. Svaneborg | Mark Kamper Svendsen | Stefano Americo | Kristian Berland | Jens Jørgen Mortensen | Kristian S. Thygesen
Source: Physical review. B./Physical review. B (article, 2025-08-25)
Field: Materials Science — Materials Chemistry

Self-consistent layer-projected scissors operator for band structures of two-dimensional van der Waals materials with large unit cells The authors present here a fast and accurate method to compute quasiparticle band structures of van der Waals heterostructures. A self-consistent layer-projected scissors (LAPS) operator corrects intralayer and interlayer self-energy effects, capturing charge redistribution and hybridization while avoiding supercell artifacts. The method achieves excellent agreement with state-of-the-art many-body calculations at a fraction of the cost, enabling realistic simulations of multilayer systems and moir\'e heterostructures with tens of thousands of atoms. Applications to MoS${}_{2}$ films, MoS${}_{2}$/WS${}_{2}$ bilayers, and MoSe${}_{2}$/WS${}_{2}$ moir\'e structures showcase its predictive power for complex 2D materials. van der Waals force ; Supercell ; Quasiparticle ; Operator (biology) ; Electronic band structure ; Computation 2D Materials and Applications ; Graphene research and applications ; MXene and MAX Phase Materials
Authors: Hassan Dariushnejad | Sara Garavand | Hamed Esmaeil Lashgarian | Changiz Ahmadizadeh | T. Ahmadi | Ayat Moradipour
Source: Biomedicine Advances (article, 2025-07-01)
Field: Chemistry — Organic Chemistry

Carvacrol and paclitaxel: Synergistic effect on apoptosis in breast cancer cell lines Introduction: Paclitaxel has been approved by the FDA for clinical use in cancer therapy; however, it has severe dose-related toxicity. Therefore, in the current research, carvacrol, a natural compound with anti-cancer properties, was examined as an adjuvant treatment for paclitaxel. Methods: The MTT assay was used to investigate the cytotoxicity of carvacrol and paclitaxel against the MCF-7 and MDA-MB-231 cells. Chou and Talalay method were used for the drug-drug interactions analysis. The amount of apoptosis induction in the treated cells was determined using DAPI fluorescence staining. Finally, expression of the Bax, BCL-2, and TP53 genes at mRNA and protein levels was measured by real-time PCR and Western blot, respectively. Findings: It was determined that the toxicity of carvacrol in both cell lines was dose- and time-dependent. Analysis of the images obtained from DAPI staining showed that the combination of carvacrol and paclitaxel resulted in the death of 77.59% and 87.24% of MCF-7 and MDA-MB-231 cells, respectively. Results from the gene expression analysis showed that the Bax and TP53 genes were overexpressed in the treated cells, while BCL-2 showed a downregulation. These results have been replicated at the protein level with a western blot test. Conclusion: The results of this study shown that the simultaneous use of carvacrol and paclitaxel can be more effective in the treatment of breast cancer cells. This research confirms for the first time that the combined use of paclitaxel and carvacrol in the treatment of breast cancer cells can be a promising solution to reduce the limitations of chemotherapy. Paclitaxel ; Carvacrol ; Apoptosis ; Cancer ; Cancer research ; Oncology ; Internal medicine ; Chemistry ; Biology ; Medicine ; Microbiology ; Biochemistry Free Radicals and Antioxidants ; Synthesis and biological activity ; Pharmacological Receptor Mechanisms and Effects
Authors: Maximilian Wolf | Selina Goetz | Georg K. H. Madsen | Théodoros Dimopoulos
Source: The Journal of Open Source Software (article, 2025-02-05)
Field: Materials Science — Materials Chemistry

COHESIVM: Combinatorial h+/e- Sample Investigation using Voltaic Measurements Accelerating materials discovery and optimization is crucial for transitioning to sustainable energy conversion and storage.In this regard, materials acceleration platforms (MAPs) can significantly shorten the discovery process, cutting material and labor costs (Aspuru-Guzik & Persson, 2018).Combinatorial and high-throughput methods are instrumental in developing said MAPs, enabling autonomous operation and the generation of large datasets (Maier et al., 2007).Therefore, in a previous work, we developed combinatorial deposition and analysis techniques for the discovery of new semiconductor materials (Wolf et al., 2023).To drive further innovation in the field, COHESIVM was created, which facilitates combinatorial analysis of material and device properties through the following key features: Sample (material) ; Computer science ; Mathematics ; Chemistry ; Chromatography Machine Learning in Materials Science ; Advanced Memory and Neural Computing ; Electrochemical Analysis and Applications
Authors: Nutan Pagar - | Nilesh Shewale - | P. Patil | Shweta Jadhav | Mayur Gangurde -
Source: International Journal on Science and Technology (article, 2025-03-31)
Field: Materials Science — Biomaterials

Nanomedicine In Cancer Therapy: Targeted Approach For Improved Efficacy Nanomedicine has revolutionized cancer therapy by enabling targeted drug delivery, improved therapeutic efficacy, and reduced systemic toxicity. This review explores the latest advancements in nanomedicine for cancer treatment, focusing on targeted approaches such as passive, active, and stimuli-responsive drug delivery systems. Passive targeting exploits the enhanced permeability and retention (EPR) effect, while active targeting utilizes ligand-functionalized nanoparticles for precise tumor recognition. Stimuli-responsive nanocarriers further enhance selectivity by triggering drug release in response to Ph, redox conditions, temperature, or enzymes. Additionally, recent innovations such as nanoparticle-based immunotherapy, combination therapy, and theranostic nanoplatforms have significantly improved treatment outcomes. Despite these advancements, challenges such as biocompatibility, large-scale manufacturing, and clinical translation remain obstacles to widespread clinical adoption. Future research should focus on personalized nanomedicine, AI-driven nanoparticle design, and hybrid nanosystems to enhance efficacy and accelerate clinical integration. Nanomedicine ; Cancer therapy ; Cancer ; Medicine ; Oncology ; Nanotechnology ; Internal medicine ; Materials science Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Cancer Research and Treatment
Authors: Yuxin Li | Tao Hong | Xiaojun Li | Heping An | Zhanxiang Yin | Meng‐Yu Wu | Huaping Liang | Xiaoqian Wang | Lizhong Su | Xin Qian | Chongjian Zhou | Yu Xiao | Wenke He | Li‐Dong Zhao
Source: Journal of Materials Chemistry A (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Mass transport and grain growth enable high thermoelectric performance in polycrystalline SnS Grain boundary engineering enables high thermoelectric performance in polycrystalline SnS by synergistically reducing lattice thermal conductivity through mass transport and enhancing carrier mobility via grain growth promotion. Thermoelectric effect ; Materials science ; Crystallite ; Grain growth ; Engineering physics ; Optoelectronics ; Grain size ; Mass transport ; Metallurgy ; Physics ; Thermodynamics Advanced Thermoelectric Materials and Devices ; Chalcogenide Semiconductor Thin Films ; Advanced Semiconductor Detectors and Materials
Authors: John Wilson | Mohsen Aghadavoudi Jolfaei | Lei Zhou | Carl Slater | Claire Davis | Anthony Peyton
Source: Sensors (article, 2025-08-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Development of an In-Situ Multifrequency Electromagnetic Sensor for Real-Time Microstructure Monitoring in a Continuous Annealing Furnace The continuous annealing process is widely used in the production of advanced high-strength steels. However, to tightly regulate the mechanical properties of the steel, precise control of processing parameters is needed. Although some techniques are available to monitor the mechanical properties of the steel on entry and exit to the furnace, monitoring the evolving microstructure of the steel through installation of sensors in the annealing line is extremely challenging due to the high temperature, high speed of the steel strip and limited space in the furnace. This study presents the development and validation of a multifrequency electromagnetic sensor system for real-time monitoring of microstructural transformations in steel during thermal cycling, intended for deployment in a continuous annealing line. Experiments were conducted on austenitic stainless steel to study the signal response to an increase in resistivity without a change in magnetic permeability. Pure nickel was tested to investigate the response to a change in magnetic permeability and the ferromagnetic-to-paramagnetic transition at its Curie temperature. A ferritic stainless steel was also tested to assess the performance of the system for high-temperature ferromagnetic materials and a higher-temperature ferromagnetic-to-paramagnetic transition. The tests indicate a strong response to material resistivity and permeability changes, with complementary information from different frequencies. Test results are supplemented by a finite element modelling study into the effect of a change in frequency and permeability on sensor response, with a discussion on the implications of experimental and modelling results for future applications. The results show that the developed system has the potential to characterise thermally induced changes in steels, establishing proof of concept for non-destructive, high-temperature electromagnetic sensing in steel processing and setting the foundation for further industrial deployment in phase and recrystallisation monitoring. Materials science ; Microstructure ; Annealing (glass) ; Curie temperature ; Ferromagnetism ; Austenitic stainless steel ; Permeability (electromagnetism) ; Eddy current ; Metallurgy ; Composite material ; Electrical engineering ; Engineering Magnetic Properties and Applications ; Non-Destructive Testing Techniques ; Metallurgical Processes and Thermodynamics
Authors: Serhan Tunçel
Source: Sigma Journal of Engineering and Natural Sciences – Sigma Mühendislik ve Fen Bilimleri Dergisi (article, 2025-01-01)
Field: Chemistry — Analytical Chemistry

Comparison of NSGA-II and MODE performances by using MCDM methods for multi-response experimental data Experimental data ; Mode (computer interface) ; Design of experiments ; Control theory (sociology) ; Multiple-criteria decision analysis Spectroscopy and Chemometric Analyses ; Control Systems and Identification ; Structural Health Monitoring Techniques
Authors: Amani Tayebi | Youssef Rbah | Mohammadine Moumou | Abderrahmane Hadini | Thamer Aljutaily | Hani A. Alfheeaid | Raed Alayouni | Khadija S. Radhi | Hassan Barakat | Dragan Milenković | Souliman Amrani | Hicham Harnafi
Source: Frontiers in Sustainable Food Systems (article, 2025-11-27)
Field: Chemistry — Organic Chemistry

Utilizing sweet basil hydrodistillation by-products to boost soybean oil stability and combat induced-hyperlipidemia Introduction The growing interest in natural antioxidants to enhance the stability of edible oils has led to exploring plant-based compounds that preserve oil quality and address critical health concerns, such as managing hyperlipidemia, a significant risk factor for cardiovascular diseases and metabolic dysfunction. This study aimed to evaluate the efficacy of basil ( Ocimum basilicum L.) hydrodistillation aqueous extract (A-Bs) on stabilizing refined soybean oil (RSO) under accelerated storage (60 °C) and frying conditions and investigate the possible hypolipidemic effect of the fortified RSO in a hyperlipidemic mouse model induced by Triton WR-1339. Methods Total phenolic, flavonoid, and tannin contents of A-Bs were quantified, and phenolic composition was determined by HPLC-DAD. Antioxidant activity was evaluated using DPPH, FRAP, and TAC assays. Free fatty acids, peroxide value, tocopherol content, and malondialdehyde content were measured in treated and untreated oils. A-Bs applied to RSO (0.02 % and 1 %) under accelerated storage (60 °C) and frying conditions alongside synthetic BHA (0.02 %). Hypolipidemic effect was evaluated in hyperlipidemic mice receiving fortified RSO at 125 mg/kg and 250 mg/kg. Results Basil extract, rich in polyphenols and flavonoids, exhibited vigorous antioxidant activity. The A-Bs reduced the RSO oxidative degradation and preserved α -tocopherol, outperforming synthetic BHA. In vivo , the fortified RSO at 250 mg/kg body weight lowered plasma TC (76.6 %), TG (86.5 %), and glucose (44.1 %), reduced LDL-C, and elevated HDL-C. Conclusion This dual functionality of A-Bs could be considered a promising natural solution to extend food shelf life and prevent lipid-related metabolic disorders. Polyphenol ; Antioxidant ; Malondialdehyde ; Soybean oil ; Hydroxytyrosol ; Tannin ; Peroxide Edible Oils Quality and Analysis ; Essential Oils and Antimicrobial Activity ; Phytochemicals and Antioxidant Activities