jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Seok Theng Chiang | Yueping Jin | Qian Zhao | Hongju Ling | Qinghua Xia | Tianzhen Han | Rongxiu Li | Weidong Li | Zhaohui Lan | Xiangzhao Ai | Haijiao Lu
Source: Theranostics (article, 2026-01-21)
Field: Materials Science — Biomaterials

Red blood cell-conjugated biomimetic nanomedicine for enhanced therapy of non-small cell lung cancer <b>Rationale:</b> Epidermal growth factor receptor tyrosine kinase inhibitors (EGFR-TKIs) are a standard therapy for non-small cell lung cancer (NSCLC). Despite their clinical efficacy, dose-limiting systemic toxicity and the eventual development of acquired resistance limit their long-term benefit. Therefore, innovative drug delivery strategies are highly demanded to optimize the therapeutic window, minimizing toxicity of EGFR-TKIs at lower doses without compromising their efficacy. <b>Methods:</b> We developed a red blood cell (RBC)-based biomimetic platform for the systemic delivery of EGFR-TKIs. Osimertinib-loaded poly(lactic-co-glycolic acid) nanoparticles were camouflaged with a biotinylated RBC membrane (Osi-RNPs). They were then conjugated to the surface of RBCs <i>via</i> high-affinity biotin-streptavidin interactions to form a stable construct (Osi-RNP-SA-RBC). The physicochemical characteristics, cellular uptake, and <i>in vitro</i> antitumor activity of Osi-RNPs were characterized. We further assessed the pharmacokinetics, biodistribution, therapeutic efficacy, and safety profile of Osi-RNP-SA-RBC in subcutaneous and orthotopic NSCLC mouse models. <b>Results:</b> The Osi-RNP-SA-RBC platform demonstrated stable attachment, favorable hematocompatibility and excellent biosafety. Compared to the Osi-RNP-RBC (nonspecific adsorption), Osi-RNP-SA-RBC presented prolonged blood circulation (1.6-fold) and enhanced tumor accumulation (2.2-fold). Upon intravenous injection of Osi-RNP-SA-RBC at a reduced dose and frequency, superior tumor suppression was observed in both subcutaneous (16.8-fold increase) and orthotopic (4.2-fold increase) NSCLC mouse models compared to the free osimertinib at same administration dosage. <b>Conclusion:</b> This study demonstrates the potential of RBC-conjugated biomimetic nanomedicine as a promising strategy for enhancing the treatment efficiency of EGFR-TKI against NSCLC <i>in vivo</i>. Nanomedicine ; Lung cancer ; Drug delivery ; Systemic administration ; Toxicity ; Epidermal growth factor receptor ; Drug ; Therapeutic index ; Therapeutic effect ; Lung Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Inhalation and Respiratory Drug Delivery
Authors: Fuzhi Liu | Yanyan Zhao | Dandan Zhu | Jingwen Wang | Zhaocheng Zhuang | Yangjia Chen | Yuan Su | Zhuote Tu
Source: PLoS ONE (article, 2026-02-25)
Field: Chemistry — Organic Chemistry

Mechanistic insights into triclosan-induced hepatotoxicity: A network toxicology and molecular docking approach The potential targets and molecular mechanisms of triclosan (TCS) induced liver injury were investigated, and 6 key targets and 5 pathways were identified, providing a new paradigm for evaluating the health risks caused by environmental pollutants. Triclosan ; Liver toxicity ; Key (lock) ; Human health ; Systems biology Antimicrobial agents and applications ; Effects and risks of endocrine disrupting chemicals ; Computational Drug Discovery Methods
Authors: Hao Liu | Zhirui Rao | Chen Liu | Hao Wang | Jiangfan Zhang | Yifan Wang | Vladimir Simonov
Source: Polymers (article, 2026-01-29)
Field: Materials Science — Materials Chemistry

Numerical Prediction on the Impact Resistance of UHMWPE Flexible Film Against Hypervelocity Particles Ultra-high-molecular-weight polyethylene (UHMWPE) thin films are considered promising shielding materials against hypervelocity microparticle impacts in space environments. In this study, a finite element-smoothed particle hydrodynamics (FEM-SPH) adaptive coupling simulation method was developed to reveal the damage mechanisms of UHMWPE films impacted by alumina (Al<sub>2</sub>O<sub>3</sub>) particles with a diameter of 10 μm. A 100 μm thick single-layer UHMWPE film was subjected to normal impacts at velocities ranging from 1 to 30 km/s. The morphology and characteristics of craters formed on the film surface were analyzed, revealing the velocity-dependent transition from plastic deformation to complete perforation. At 10 km/s, additional oblique impact simulations at 30°, 45°, 60° and 75° were performed to assess the effect of impact angle on damage morphology. Furthermore, the damage evolution in double-layer UHMWPE films was examined under impact velocities of 5, 10, 15, 20 and 25 km/s, showing enhanced protective performance compared to single-layer films. Finally, the critical influence parameters for UHMWPE failure were discussed, providing criteria for evaluating the shielding limits. This work offers computational methods and predictive tools for assessing hypervelocity microparticle impact and contributes to the structural protection design of spacecraft operating in the harsh space environment. Hypervelocity ; Electromagnetic shielding ; Impact resistance ; Impact crater ; Polyethylene ; Particle (ecology) ; Deformation (meteorology) ; Izod impact strength test ; Microparticle High-Velocity Impact and Material Behavior ; Fluid Dynamics Simulations and Interactions ; Polymer Nanocomposites and Properties
Authors: Yasser Zare | Nima Gharib | Jin-Hwan Choi | Kyong Yop Rhee
Source: Scientific Reports (article, 2026-02-14)
Field: Materials Science — Materials Chemistry

Estimation of contact area among carbon black nanoparticles in composites by tunneling properties, interphase depth and contact number The contact area (S) among the carbon black (CB) nanoparticles directly and significantly manipulates the conductivity of composites, but it is an unknown and inexact factor. In this article, two conductivity models for polymer CB nanocomposite (PCB) are suggested and verified by at least five conductivity points per composite system at the filler fraction range from 0 to 20 vol.% and 5% quantitative error bound in the calculations. Besides, these novel models are joined to express an applicable equation for the S by tunneling properties, CB size, interphase depth (t), network fraction, contact number (m), interfacial tension (γ<sub>pf</sub>), and percolation onset ([Formula: see text]). The impacts of all factors on the S are plotted and validated. Bigger interphase and more m expand the S. t = 20 nm and m = 100 grow the S to 16*10<sup>5</sup> nm<sup>2</sup>, while the shortest interphase (t < 10 nm) produces S = 0. Also, higher tunneling diameter (d) with shorter tunnels raise the S. d = 40 nm and tunneling distance (λ) of 1 nm expand the S to 19*10<sup>5</sup> nm<sup>2</sup>, but d < 13 nm or λ = 10 nm cannot produce the contact area (S = 0). This novel equation is applicable to expand the contact area, which reduces the tunneling resistance and optimizes the charge transfer in PCBs. Interphase ; Quantum tunnelling ; Percolation (cognitive psychology) ; Contact area ; Conductivity ; Carbon black ; Nanocomposite ; Contact resistance Carbon Nanotubes in Composites ; Smart Materials for Construction ; Polymer Nanocomposites and Properties
Authors: Kübra Baydeniz | Ümit Geçgel | Demet Apaydın
Source: Journal of Food Measurement & Characterization (article, 2026-02-25)
Field: Chemistry — Organic Chemistry

Microbial decontamination and lipid quality of γ-irradiated red pepper seeds for functional oil production Abstract Red pepper seeds are an oil-rich by-product of red pepper processing and a promising raw material for functional oils, yet they require an effective decontamination step before use. This study evaluated γ-irradiation (2.5, 5.0, 7.5 and 10.0 kGy; ⁶⁰Co source) as a non-thermal decontamination step and assessed its impact on seed microbiology and cold-pressed oil quality. Irradiation at 2.5 kGy reduced initial bacterial and fungal counts by 2.62 and 2.9 log units, respectively, while 5 kGy decreased both to below the detection limit. Oil quality indices showed dose-dependent but technologically limited changes: free fatty acids increased from 0.98% to 1.43% (as oleic acid) and peroxide value from 0.78 to 1.30 meq O₂/kg at 10.0 kGy. Antioxidant activity decreased progressively from 39.15 to 21.22 µmol Trolox/g oil with increasing dose. The fatty acid profile remained linoleic-acid–rich (C18:2 ≈ 72.5% in control vs. 72.22% at 10.0 kGy), with only minor shifts in major fatty acids. Total sterols were 8099.28 mg/kg in control oil, increased slightly up to 7.5 kGy, and declined at 10.0 kGy. Overall, γ-irradiation at 5.0–7.5 kGy achieved effective microbial decontamination with limited deterioration of oil quality, supporting its potential as a pre-treatment for safe red pepper seed valorization. Pepper ; Human decontamination ; Peroxide value ; Oleic acid ; Fatty acid ; Raw material ; Antioxidant ; Shelf life ; Acid value Edible Oils Quality and Analysis ; Radiation Effects and Dosimetry ; Food Drying and Modeling
Authors: Cancan Shao | Rixin Xie | Lei Huang | linjun wang
Source: Communications in Computational Chemistry (article, 2026-03-07)
Field: Materials Science — Materials Chemistry

Machine Learning Decoherence Time Formulas with Force-Projected Kinetic Energies for Nonadiabatic Scattering Dynamics The framework of mixed quantum-classical dynamics is promising for realizing efficient and reliable simulations of general nonadiabatic dynamics processes. In particular, the surface hopping method based on independent trajectories has attracted extensive interest over the past decades. In practical applications, however, its accuracy is often limited by the overcoherence problem. To address this limitation, we here utilize a machine learning approach to reveal the optimal decoherence time formula for high-dimensional systems and consider the kinetic energy projected along various force directions as the feature inputs. Remarkably, the obtained formula consistently distinguishes itself within the training set across four distinct descriptor spaces. The systematic benchmark confirms the high reliability of the formula based on the kinetic energy projected along the force direction of the nonactive potential energy surface. In fact, the vast majority of average population errors achieved by surface hopping with the new formula are below 0.01 and 0.02 in the investigated one- and two-dimensional systems, respectively. These results thus highlight the high performance of the new decoherence time formula in nonadiabatic scattering dynamics and demonstrate the feasibility of projecting the total kinetic energy onto a proper force direction to uncover the intricate decoherence effect in high-dimensional applications. Quantum decoherence ; Kinetic energy ; Surface hopping ; Scattering ; Population ; Energy (signal processing) Machine Learning in Materials Science ; Quantum many-body systems ; Spectroscopy and Quantum Chemical Studies
Authors: Hannah M. Smith | Joanna E. Moodie | G Davies | Anne Richmond | Janet Robertson | Aleksandra D. Chybowska | Camilla Drake | Poppy Adkin | Spyros I. Vernardis | Arturas Grauslys | Matthew E.H. White | Sergej Andrejev | Charles Brigden | Christoph B. Messner | Caroline Hayward | Aleksej Zelezniak | Markus Ralser | Ilse Krätschmer | Matthew R. Robinson | S. R. Cox | R. Marioni
Source: medRxiv (article, 2026-01-29)
Field: Chemistry — Spectroscopy

Proteomic biomarkers of cognitive function, <i>APOE</i> ε4 status, and dementia in Generation Scotland Untargeted mass spectrometry remains underutilised for blood-based biomarker discovery in dementia research from large cohorts, where affinity-based approaches dominate. To address this, we examined mass-spectrometry-derived proteomic correlates of cognitive function, genetic predisposition to cognitive health, <i>APOE</i> ε4 status, and incident dementia. Using multivariate Bayesian regression, we assessed associations between 439 independent mass spectrometry signals and five cognitive outcomes-four cognitive tests and a cognitive function polygenic score-in Generation Scotland (n = 14,258). We observed associations between three cognitive tests (digit symbol, vocabulary and verbal fluency) and a mass spectrometry signal that mapped to selenoprotein P (absolute β<sub>range</sub> = 0.02 - 0.03, posterior inclusion probability ≥ 0.95). Carrying one or two copies of the <i>APOE</i> ε4 allele was associated with a lower mass spectrometry signal that mapped to afamin (β = -0.08 and -0.2, respectively, p < 3.1 x 10<sup>-4</sup>, n = 14,745). A higher mass spectrometry signal that maps to both complement c2 and complement factor B proteins was associated with lower hazard for incident dementia (hazard ratio = 0.75, p < 3.1 x 10<sup>-4</sup>, n<sub>cases</sub> = 212 and n<sub>controls</sub> = 6,765) diagnosed up to 17 years after blood sampling. We identified specific independent mass spectrometry signals which may be candidate biomarkers of cognitive function, <i>APOE</i> ε4 status, and could aid in the early detection of dementia; however, further replication studies in other populations are required. Dementia ; Cognition ; Biomarker ; Mass spectrometry ; Complement (music) ; False discovery rate ; Biomarker discovery ; Proteomics ; Neuropsychology Advanced Proteomics Techniques and Applications ; Alzheimer's disease research and treatments ; Dementia and Cognitive Impairment Research
Authors: Yue Liu (292931) | Hongfei Wu | Guosheng Ji | C. H. Jiang
Source:  (article, 2026-03-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fundamentals and Methodology for Magnetic-Core Integration Magnetic-Core (MC) integration is an effective approach to improving the efficiency and power density of power converters. Although numerous MC integration structures for inductors/transformers have been proposed, systematic MC integration methodologies, especially the design guidance for integrated core shape have rarely been studied over the years. Starting from the structure, function, and electromagnetic characteristics of magnetic components, the MCs are divided into two parts: 1) source-core, corresponding to the core surrounded by windings, 2) loop-core, corresponding to the core outside the windings. Based on the definition, it is revealed that the process of MC integration can be decomposed into two steps: 1) the realization of the coupling coefficient for source-cores, and 2) the sharing or integration design of the loop-cores. The above two steps can be unified as the regulation of flux in MCs. The regulation of source-core flux is to ensure that the coupling relationship between magnetic components before and after MC integration remains consistent with the requirements of the converter, while the regulation of loop-core magnetic flux aims to reduce the magnetic flux density, loss, and volume of the core. Based on the above theoretical foundation, the method to ensure the decoupling and regulation of coupling coefficients of sourcecores of multiple magnetic components, and the method for loopcore sharing or integration, and magnetic flux/magnetic density regulations are proposed for the MC integration design. Based on the proposed MC integration rules and methods, a CLLC resonant converter with integrated transformer/inductor is designed as an example. Feasibilities and effectiveness of the presented integrated MCs are verified with experimental results. Work (physics) ; Process (computing) ; Key (lock) ; Identification (biology) ; Context (archaeology) Magnetic Properties and Applications ; Magnetic properties of thin films ; Magnetic Properties of Alloys
Authors: O. Müller | T. Redaelli | Dieter A. Baumgartner | Clara Martínez-Pérez | Francesco Carrara | Johannes M. Keegstra | Roman Stocker
Source: bioRxiv (Cold Spring Harbor Laboratory) (article, 2026-01-03)
Field: Materials Science — Biomaterials

Heritable diel energy reserves enhance diatom growth Abstract Diatoms are important drivers of marine primary production and biogeochemistry 1–4 . Compared to other phytoplankton groups, diatoms divide more asynchronously (i.e., divisions occur in a manner that is less aligned with the diel cycle) under non-limiting conditions, resulting in divisions occurring during both day and night 5–16 . However, the mechanisms and rates of asynchronous division have remained elusive. Here, using microfluidics-based time-resolved cell tracking, we measure the growth dynamics of individual cells of the diatom Thalassiosira pseudonana and show that cells growing mostly during the dark phase achieve rapid generation times (8 hours), dividing as fast as cells growing fully in light. We found that this remarkable ability of rapid growth in the dark is a consequence of the light history of both the cell and its parent cell, as light history controls the amount of photosynthetic energy the cell has stored in the form of the polysaccharide chrysolaminarin when entering the night. Furthermore, a mathematical model of this mechanism yields an up to 14% increase in the daily asynchronous population growth rate compared to growth without diel energy reserves when nutrients are non-limiting. This results in an up to 17-fold predicted increase in cell abundance over a typical 10-day diatom bloom, the maximal growth advantage of heritable chrysolaminarin during exponential phases of growth. By directly demonstrating and quantifying the benefit of chrysolaminarin under different diel conditions, this work provides a mechanistic understanding of how heritable diel energy reserves contribute to the rapid growth of diatom populations in the ocean. Beyond the specific discovery of the role of heritable energy reserves, we anticipate that our experimental approach can be broadly utilized in phytoplankton research by providing a blueprint to study phytoplankton physiology and ecology at the single-cell level, revealing novel mechanisms normally obscured in bulk growth assays. Diel vertical migration ; Diatom ; Phytoplankton ; Photosynthesis ; Population ; Biogeochemistry ; Algae ; Primary producers Diatoms and Algae Research ; Algal biology and biofuel production ; Marine and coastal ecosystems
Authors: Boli Xu | Renbin Zhong
Source: Frontiers in Physics (article, 2026-03-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Theories on classical electromagnetic metamaterials Metamaterials, which are artificially engineered materials, have significantly expanded the possibilities of wave manipulation. Rapid advancements in metamaterial design and fabrication have fostered a flourishing field and have established a solid foundation for theoretical research. Theoretical studies on metamaterials not only drive the advancement of the field itself, but also offer new opportunities for gaining deeper insights into the fundamental nature of electromagnetic waves and provide a novel platform for probing the intrinsic properties of natural materials. This review systematically summarizes the fundamental theories of metamaterials, including those that describe electromagnetic wave propagation inside and outside metamaterials, as well as those used to determine their effective electromagnetic parameters. Taking metamaterial fundamental theory as the central perspective, this study examines the underlying assumptions, inherent limitations, interrelationships among different theories, and both current advances and potential future developments. The purpose of this review is to organize and delineate the theoretical foundations of metamaterials, thereby outlining the overall landscape of metamaterial theory and facilitating the establishment of a comprehensive and coherent theoretical framework. In addition, this review serves as a useful reference for newcomers in the field, helps experienced researchers identify gaps or overlooked aspects, and provides researchers from related disciplines with insights into potential avenues for interdisciplinary integration. Metamaterial ; Field (mathematics) ; Electromagnetic theory ; Electromagnetic field ; Foundation (evidence) ; Flourishing Metamaterials and Metasurfaces Applications ; Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies
Authors: Jingze Cai | Yuehua Chen | Hanxu Ma | Shunda Qiao | Ying He | Qi Li | Tongyu Dai | Yufei Ma
Source: Applied Sciences (article, 2026-01-30)
Field: Chemistry — Spectroscopy

Integrated Methane Sensor Prototype Based on H-QEPAS Technique with a 3D-Printed Gas Chamber In the paper, a heterodyne quartz-enhanced photoacoustic spectroscopy (H-QEPAS)-based integrated methane (CH4) sensor prototype is reported. The CH4 absorption line located at 1650.96 nm was selected as the target spectral line. The design features an integrated, 3D-printed gas chamber for reduced size and weight. To realize the coordinated operation of each hardware component, a control program was designed based on LabVIEW platform, enabling the adjustment of various hardware parameters. The piezoelectric signal generated by the quartz tuning fork (QTF) was amplified via a trans-impedance amplifier (TIA), acquired by a data acquisition card (DAQ), and then transmitted to a virtual lock-in amplifier (LIA) on the PC terminal for processing. The dimensions of the integrated CH4 sensor prototype are 33 cm in length, 27 cm in width, and 15 cm in height. The final test results demonstrate that the sensor prototype exhibits an excellent concentration linear response, with a detection limit of 26.72 ppm and a short detection time of approximately 4 s. Amplifier ; Methane ; Detection limit ; Data acquisition ; SIGNAL (programming language) ; Linearity ; Photoacoustic spectroscopy Spectroscopy and Laser Applications ; Atmospheric and Environmental Gas Dynamics ; Gas Sensing Nanomaterials and Sensors
Authors: Dehua Jiang | Shane M. Parker
Source: ChemRxiv (article, 2026-02-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Accurate Molecular Nonlinear Properties On A Semiempirical Budget Using The TDDFT-ris Model Time-Dependent Density Functional Theory (TDDFT) is a workhorse computational tool for predicting nonlinear optical properties from first principles. However, its computational cost often limits its practicality for large molecules. We evaluate nonlinear response properties using our recently developed semiempirical model, TDDFT-ris (ris), and its extension, TDDFT-risp (risp), which use minimal auxiliary basis to approximate electron-repulsion integrals. Against full TDDFT with def2-SVPD calculations, ris and risp accurately reproduce (hyper)polarizabilities for a small fraction of the computational cost. For example, ris has a mean relative error of 8% when computing mean polarizabilities, which is reduced to 2% by risp. Furthermore, the strong physical justification for the risp method allows us to cure systematic failures in monopole-based semiempirical models (like ris) when computing nonlinear properties of planar molecules. Thus, ris and risp are powerful and inexpensive tools for predicting nonlinear optical properties either qualitatively or nearly quantitatively. Nonlinear system ; Planar ; Nonlinear optical ; Time-dependent density functional theory ; Density functional theory ; Computational model ; Computational complexity theory ; Basis (linear algebra) Nonlinear Optical Materials Research ; Nonlinear Optical Materials Studies ; Advanced Chemical Physics Studies
Authors: Giulia Simonetti | Francesca Buiarelli
Source: Foods (article, 2026-03-12)
Field: Chemistry — Analytical Chemistry

Recent Advances in the Detection of Food Contaminants and Pollutants Foods are essential sources of nutrients and energy for human populations; however, their quality and safety are continuously challenged by a wide range of factors acting along the food production chain [...]. Pollutant ; Nutrient ; Food chain ; Contamination ; Food processing ; Human health ; Production (economics) Dye analysis and toxicity ; Potato Plant Research ; Melamine detection and toxicity