jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Benedict Rothammer | Klara Feile | Siegfried Werner | Rainer Frank | Marcel Bartz | Sandro Wartzack | Dirk Schubert | Dietmar Drummer | Rainer Detsch | Bo Wang | Andreas Rosenkranz | Max Marian
Source: Journal of Biomedical Materials Research Part A (article, 2024-10-24)
Field: Materials Science — Materials Chemistry

<scp>Ti<sub>3</sub>C<sub>2</sub>T</scp><i><sub>x</sub></i>‐<scp>UHMWPE</scp> Nanocomposites—Towards an Enhanced Wear‐Resistance of Biomedical Implants There is an urgent need to enhance the mechanical and biotribological performance of polymeric materials utilized in biomedical devices such as load-bearing artificial joints, notably ultrahigh molecular weight polyethylene (UHMWPE). While two-dimensional (2D) materials like graphene, graphene oxide (GO), reduced GO, or hexagonal boron nitride (h-BN) have shown promise as reinforcement phases in polymer matrix composites (PMCs), the potential of MXenes, known for their chemical inertness, mechanical robustness, and wear-resistance, remains largely unexplored in biotribology. This study aims to address this gap by fabricating Ti<sub>3</sub>C<sub>2</sub>T <sub>x</sub> -UHMWPE nanocomposites using compression molding. Primary objectives include enhancements in mechanical properties, biocompatibility, and biotribological performance, particularly in terms of friction and wear resistance in cobalt chromium alloy pin-on-UHMWPE disk experiments lubricated by artificial synovial fluid. Thereby, no substantial changes in the indentation hardness or the elastic modulus are observed, while the analysis of the resulting wettability and surface tension as well as indirect and direct in vitro evaluation do not point towards cytotoxicity. Most importantly, Ti<sub>3</sub>C<sub>2</sub>T <sub>x</sub> -reinforced PMCs substantially reduce friction and wear by up to 19% and 44%, respectively, which was attributed to the formation of an easy-to-shear transfer film. Materials science ; Composite material ; Nanocomposite ; Tribology ; Graphene ; Ultra-high-molecular-weight polyethylene ; Abrasive ; Wetting ; Biocompatibility ; Polymer ; Polyethylene ; Nanotechnology ; Metallurgy MXene and MAX Phase Materials ; Metal and Thin Film Mechanics ; Tribology and Wear Analysis
Authors: Lang Xu | Rong Ye | Manos Mavrikakis | Peng Chen
Source: ACS Central Science (article, 2024-01-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Molecular-scale Insights into Cooperativity Switching of <i>x</i>TAB Adsorption on Gold Nanoparticles Quantifying adsorption behaviors is crucial for various applications such as catalysis, separation, and sensing, yet it is generally challenging to access in solution. Here, we report a combined experimental and computational study of the adsorption behaviors of alkyl-trimethylammonium bromides (<i>x</i>TAB), a class of ligands important for colloidal nanoparticle stabilization and shape control, with various alkyl chain lengths <i>x</i> on Au nanoparticles. We use density functional theory (DFT) to calculate <i>x</i>TAB binding energies on Au{111} and Au{110} surfaces with standing-up and lying-down configurations, which provides insights into the adsorption affinity and cooperativity differences of <i>x</i>TAB on these two facets. We demonstrate the key role of van der Waals interactions in determining the <i>x</i>TAB adsorption behavior. These computational results predict and explain the experimental discovery of <i>x</i>TAB's adsorption behavior switch from stronger affinity, negative cooperativity to weaker affinity, positive cooperativity when the concentration of <i>x</i>TAB increases in solution. We also show that in the standing-up configuration, bilayer adsorption may occur on both facets, which can lead to different differential binding energies and consequently adsorption crossover between the two facets when the ligand concentration increases. Our combined experimental and computational approaches demonstrate a paradigm for gaining molecular-scale insights into adsorbate-surface interactions. Cooperativity ; Nanoparticle ; Colloidal gold ; Adsorption ; Nanotechnology ; Scale (ratio) ; Chemistry ; Materials science ; Physics ; Physical chemistry ; Biochemistry Gold and Silver Nanoparticles Synthesis and Applications ; Quantum Dots Synthesis And Properties ; Electrochemical Analysis and Applications
Authors: Frederique A. Versteeg | Diana A. W. M. Bollen | Francesco Picchioni
Source: ACS Sustainable Chemistry & Engineering (article, 2024-08-28)
Field: Materials Science — Polymers and Plastics

Recycling PVC with scCO<sub>2</sub>: From Soft to Rigid PVC This study explores using extraction with supercritical carbon dioxide to remove plasticizers from poly(vinyl chloride) (PVC), with the aim to enhance recycling processes. Experiments were performed at 100 to 500 bar with temperatures varying from 75 to 110 °C. The results show that continuous supercritical carbon dioxide efficiently removes bis(2-ethylhexyl) phthalate (DOP) from PVC with extraction efficiencies of more than 98% which resulted in PVC samples with over 99.5% purity. A process model based on the Sovová model accurately describes the extraction process. The impact of the extraction process on polymer properties and associated molecular structures like viscosity, morphology, and mechanical properties was also evaluated using gel permeation chromatography, rheology, tensile test, and scanning electron microscopy. Supercritical carbon dioxide ; Plasticizer ; Extraction (chemistry) ; Polyvinyl chloride ; Vinyl chloride ; Supercritical fluid extraction ; Materials science ; Polymer ; Chemical engineering ; Gel permeation chromatography ; Rheology ; Supercritical fluid ; Phthalate ; Ultimate tensile strength ; Scanning electron microscope ; Dynamic mechanical analysis ; Chromatography ; Composite material ; Chemistry ; Organic chemistry ; Copolymer Polymer Science and PVC ; Polymer Foaming and Composites ; Polymer crystallization and properties
Authors: Μαρία Αντωνίου | Georgia Melagraki | Iseult Lynch | Antreas Afantitis
Source: Nanomaterials (review, 2024-04-23)
Field: Materials Science — Biomaterials

In Vitro Toxicological Insights from the Biomedical Applications of Iron Carbide Nanoparticles in Tumor Theranostics: A Systematic Review and Meta-Analysis (1) Background: Despite the encouraging indications regarding the suitability (biocompatibility) of iron carbide nanoparticles (ICNPs) in various biomedical applications, the published evidence of their biosafety is dispersed and relatively sparse. The present review synthesizes the existing nanotoxicological data from in vitro studies relevant to the diagnosis and treatment of cancer. (2) Methods: A systematic review was performed in electronic databases (PubMed, Scopus, and Wiley Online Library) on December 2023, searching for toxicity assessments of ICNPs of different sizes, coatings, and surface modifications investigated in immortalized human and murine cell lines. The risk of bias in the studies was assessed using the ToxRTool for in vitro studies. (3) Results: Among the selected studies (<i>n</i> = 22), cell viability emerged as the most frequently assessed cellular-level toxicity endpoint. The results of the meta-analysis showed that cell models treated with ICNPs had a reduced cell viability (SMD = -2.531; 95% CI: -2.959 to -2.109) compared to untreated samples. A subgroup analysis was performed due to the high magnitude of heterogeneity (I<sup>2</sup> = 77.1%), revealing that ICNP concentration and conjugated ligands are the factors that largely influence toxicity (<i>p</i> < 0.001). (4) Conclusions: A dose-dependent cytotoxicity of ICNP exposure was observed, regardless of the health status of the cell, tested organism, and NP size. Inconsistent reporting of ICNP physicochemical properties was noted, which hinders comparability among the studies. A comprehensive exploration of the available in vivo studies is required in future research to assess the safety of ICNPs' use in bioimaging and cancer treatment. Nanotechnology ; Systematic review ; Nanoparticle ; Materials science ; Chemistry ; MEDLINE ; Biochemistry Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; Nanoparticles: synthesis and applications
Authors: Rui Yuan | Xianzhe He | Chongyu Zhu | Lei Tao
Source: Molecules (article, 2024-02-04)
Field: Chemistry — Organic Chemistry

Recent Developments in Functional Polymers via the Kabachnik–Fields Reaction: The State of the Art Recently, multicomponent reactions (MCRs) have attracted much attention in polymer synthesis. As one of the most well-known MCRs, the Kabachnik-Fields (KF) reaction has been widely used in the development of new functional polymers. The KF reaction can efficiently introduce functional groups into polymer structures; thus, polymers prepared via the KF reaction have unique α-aminophosphonates and show important bioactivity, metal chelating abilities, and flame-retardant properties. In this mini-review, we mainly summarize the latest advances in the KF reaction to synthesize functional polymers for the preparation of heavy metal adsorbents, multifunctional hydrogels, flame retardants, and bioimaging probes. We also discuss some emerging applications of functional polymers prepared by means of the KF reaction. Finally, we put forward our perspectives on the further development of the KF reaction in polymer chemistry. Polymer ; Functional polymers ; Chemistry ; Combinatorial chemistry ; Reaction conditions ; Adsorption ; Self-healing hydrogels ; Nanotechnology ; Organic chemistry ; Materials science ; Catalysis ; Polymerization Organophosphorus compounds synthesis ; Covalent Organic Framework Applications ; Chemical Synthesis and Reactions
Authors: Simone Mathias | Marius Amerio-Cox | T. C. Jackson | David Douce | Bryan J. McCullough | Ashley Sage | Peter Luke | Carol Crean | Patrick Sears
Source: Journal of the American Society for Mass Spectrometry (article, 2024-09-02)
Field: Chemistry — Spectroscopy

Performance Comparison of Ambient Ionization Techniques Using a Single Quadrupole Mass Spectrometer for the Analysis of Amino Acids, Drugs, and Explosives The utilization of ambient ionization (AI) techniques for mass spectrometry (MS) has significantly grown due to their ability to facilitate rapid and direct sample analysis with minimal sample preparation. This study investigates the performance of various AI techniques, including atmospheric solids analysis probe (ASAP), thermal desorption corona discharge (TDCD), direct analysis in real time (DART), and paper spray coupled to a Waters QDa mass spectrometer. The focus is on evaluating the linearity, repeatability, and limit of detection (LOD) of these techniques across a range of analytes, including amino acids, drugs, and explosives. The results show that each AI technique exhibits distinct advantages and limitations. ASAP and DART cover high concentration ranges, which may make them suitable for semiquantitative analysis. TDCD demonstrates exceptional linearity and repeatability for most analytes, while paper spray offers surprising LODs despite its complex setup (between 80 and 400 pg for most analytes). The comparison with electrospray ionization (ESI) as a standard method shows that ambient ionization techniques can achieve competitive LODs for various compounds such as PETN (80 pg ESI vs 100 pg ASAP), TNT (9 pg ESI vs 4 pg ASAP), and RDX (4 pg ESI vs 10 pg ASAP). This study underscores the importance of selecting the appropriate ambient ionization technique based on the specific analytical requirements. This comprehensive evaluation contributes valuable insights into the selection and optimization of AI techniques for diverse analytical applications. DART ion source ; Desorption electrospray ionization ; Chemistry ; Ambient ionization ; Mass spectrometry ; Dart ; Electrospray ionization ; Analyte ; Repeatability ; Analytical Chemistry (journal) ; Ionization ; Detection limit ; Chromatography ; Sample preparation ; Explosive material ; Chemical ionization ; Electron ionization ; Organic chemistry Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Metabolomics and Mass Spectrometry Studies
Authors: Jiaxuan Zhu | Wenbo Wu | Haoqiang Qi | Yutong Yao | Hui Yu | Xin Huang | Na Wang | Ting Wang | Hongxun Hao
Source: Chemical Science (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Dynamic organic crystals as exceptionally efficient artificial natural light-harvesting actuators Dynamic organic crystal materials that can directly convert solar energy into mechanical work hold the potential to be efficient artificial actuators. However, developing dynamic organic crystals that can efficiently transform natural light energy into mechanical energy is still quite challenging. Herein, a novel dynamic organic crystal whose two polymorphs (Form I and Form II) are both capable of effectively converting natural light into work was successfully synthesized. Under the irradiation of ultraviolet (UV), blue and natural light, the on/off toggling of a photosalient effect could be triggered. Specifically, under UV light irradiation, Form I demonstrates output work densities of about 4.2-8.4 × 10<sup>4</sup> J m<sup>-3</sup> and 1.6-4.9 × 10<sup>2</sup> J m<sup>-3</sup> before and after disintegration, respectively. Form II exhibits output work densities of about 1.3 × 10<sup>2</sup> to 1.9 × 10<sup>3</sup> J m<sup>-3</sup> by means of photoinduced bending, suggesting that controllable bending may be more favorable for energy harvesting than the photosalient effect. Utilizing the exceptionally high energy transduction efficiency of Form I, we developed a natural light-driven micro-actuator that can realize output work densities of 2.8-5.0 × 10<sup>4</sup> J m<sup>-3</sup>. The natural light-harvesting performance of this actuator significantly surpasses those of previously reported photomechanical crystals and could even be comparable to thermal actuators. Actuator ; Natural (archaeology) ; Artificial light ; Crystal (programming language) ; Biological system ; Artificial intelligence ; Materials science ; Nanotechnology ; Computer science ; Biochemical engineering ; Engineering ; Biology ; Physics ; Optics Photochromic and Fluorescence Chemistry ; Polydiacetylene-based materials and applications ; Photoreceptor and optogenetics research
Authors: Nan Li | Jingnan Huang | Shangwen He | Qiaocong Zheng | Feng Ye | Zhengxing Qin | Dong Wang | Ting Xiao | Mengyuan Mao | Zhenhua Zhou | Tingxi Tang | Longshan Zhang | Xiaoqing Wang | Yingqiao Wang | Ying Lyu | Laiyu Liu | Lingyun Dai | Jigang Wang | Jian Guan
Source: Journal of Nanobiotechnology (article, 2024-04-10)
Field: Chemistry — Spectroscopy

The development of a novel zeolite-based assay for efficient and deep plasma proteomic profiling Plasma proteins are considered the most informative source of biomarkers for disease diagnosis and monitoring. Mass spectrometry (MS)-based proteomics has been applied to identify biomarkers in plasma, but the complexity of the plasma proteome and the extremely large dynamic range of protein abundances in plasma make the clinical application of plasma proteomics highly challenging. We designed and synthesized zeolite-based nanoparticles to deplete high-abundance plasma proteins. The resulting novel plasma proteomic assay can measure approximately 3000 plasma proteins in a 45 min chromatographic gradient. Compared to those in neat and depleted plasma, the plasma proteins identified by our assay exhibited distinct biological profiles, as validated in several public datasets. A pilot investigation of the proteomic profile of a hepatocellular carcinoma (HCC) cohort identified 15 promising protein features, highlighting the diagnostic value of the plasma proteome in distinguishing individuals with and without HCC. Furthermore, this assay can be easily integrated with all current downstream protein profiling methods and potentially extended to other biofluids. In conclusion, we established a robust and efficient plasma proteomic assay with unprecedented identification depth, paving the way for the translation of plasma proteomics into clinical applications. Proteomics ; Proteome ; Blood proteins ; Chemistry ; Human plasma ; Posttranslational modification ; Computational biology ; Quantitative proteomics ; Bioinformatics ; Chromatography ; Biology ; Biochemistry ; Enzyme Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Lucia Colleselli | Mira Mutschlechner | Martin Spruck | Florian Albrecht | Oliver I. Strube | Pamela Vrabl | Susanne Zeilinger | Harald Schöbel
Source: Bioprocess and Biosystems Engineering (article, 2024-07-14)
Field: Materials Science — Materials Chemistry

Light-mediated biosynthesis of size-tuned silver nanoparticles using Saccharomyces cerevisiae extract Bio-based production of silver nanoparticles represents a sustainable alternative to commercially applied physicochemical manufacturing approaches and provides qualitatively highly valuable nanomaterials due to their narrow size dispersity, high stability and biocompatibility with broad application potentials. The intrinsic features of nanoparticles depend on size and shape, whereby the controlled synthesis is a challenging necessity. In the present study, the biosynthesis of size-tuned silver nanoparticles based on cell-free extracts of Saccharomyces cerevisiae DSM 1333 was investigated. Single parameter optimization strategies in phases of cultivation, extraction, and synthesis were performed to modify the nanoparticle scale and yield. Visible light was exploited as a tool in nanoparticle production. The influence of white light on the biosynthesis of silver nanoparticles was determined by using novel LED systems with the exposition of varying irradiation intensities and simultaneous performance of control experiments in the dark. Characterization of the resulting nanomaterials by spectrophotometric analysis, dynamic light scattering, scanning electron microscopy, and energy dispersive X-ray spectroscopy, revealed spherical silver nanoparticles with controlled, light-mediated size shifts in markedly increased quantities. Matching of irradiated and non-irradiated reaction mixtures mirrored the enormous functionality of photon input and the high sensitivity of the biosynthesis process. The silver nanoparticle yields increased by more than 90% with irradiation at <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>1.0</mml:mn> <mml:mo>±</mml:mo> <mml:mn>0.2</mml:mn> <mml:mspace></mml:mspace> <mml:mtext>mW</mml:mtext> <mml:mspace></mml:mspace> <mml:msup><mml:mrow><mml:mtext>cm</mml:mtext></mml:mrow> <mml:mrow><mml:mo>-</mml:mo> <mml:mn>2</mml:mn></mml:mrow> </mml:msup> </mml:mrow> </mml:math> and the reduction of particle dimensions was achieved with significant shifts of size-specific absorption maxima from 440 to 410 nm, corresponding to particle sizes of 130 nm and 100 nm, respectively. White light emerged as an excellent tool for nano-manufacturing with advantageous effects for modulating unique particle properties. Dynamic light scattering ; Nanoparticle ; Silver nanoparticle ; Nanomaterials ; Materials science ; Dispersity ; Yield (engineering) ; Analytical Chemistry (journal) ; Nanotechnology ; Nuclear chemistry ; Chemical engineering ; Chemistry ; Chromatography ; Metallurgy ; Polymer chemistry Nanoparticles: synthesis and applications ; Medicinal Plants and Neuroprotection ; Laser-Ablation Synthesis of Nanoparticles
Authors: Fatah Chiter | Yann Bulteau | Pierre Bonin | Nadine Pébère | Corinne Lacaze‐Dufaure
Source: Corrosion Science (article, 2024-05-04)
Field: Materials Science — Materials Chemistry

On the identification of favourable factors for corrosion inhibition of aluminium by 8-hydroxyquinoline and its derivatives: DFT and electrochemical studies 8-Hydroxyquinoline ; Corrosion ; Aluminium ; Electrochemistry ; Dissolution ; Adsorption ; Solubility ; Chemistry ; Materials science ; Nuclear chemistry ; Inorganic chemistry ; Metallurgy ; Physical chemistry ; Electrode Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Anodic Oxide Films and Nanostructures
Authors: Yujiao Deng | Zhanwu Hou | Yizhen Li | Ming Yi | Ying Wu | Yi Zheng | Fei Yang | Guansheng Zhong | Qian Hao | Zhen Zhai | Meng Wang | Xiaobin Ma | Huafeng Kang | Fanpu Ji | Chenfang Dong | Huadong Liu | Zhijun Dai
Source: Cell Communication and Signaling (article, 2024-02-12)
Field: Chemistry — Spectroscopy

Superbinder based phosphoproteomic landscape revealed PRKCD_pY313 mediates the activation of Src and p38 MAPK to promote TNBC progression Phosphorylation proteomics is the basis for the study of abnormally activated kinase signaling pathways in breast cancer, which facilitates the discovery of new oncogenic agents and drives the discovery of potential targets for early diagnosis and therapy of breast cancer. In this study, we have explored the aberrantly active kinases in breast cancer development and to elucidate the role of PRKCD_pY313 in triple negative breast cancer (TNBC) progression. We collected 47 pairs of breast cancer and paired far-cancer normal tissues and analyzed phosphorylated tyrosine (pY) peptides by Superbinder resin and further enriched the phosphorylated serine/threonine (pS/pT) peptides using TiO<sub>2</sub> columns. We mapped the kinases activity of different subtypes of breast cancer and identified PRKCD_pY313 was upregulated in TNBC cell lines. Gain-of-function assay revealed that PRKCD_pY313 facilitated the proliferation, enhanced invasion, accelerated metastasis, increased the mitochondrial membrane potential and reduced ROS level of TNBC cell lines, while Y313F mutation and low PRKCD_pY313 reversed these effects. Furthermore, PRKCD_pY313 significantly upregulated Src_pY419 and p38_pT180/pY182, while low PRKCD_pY313 and PRKCD_Y313F had opposite effects. Dasatinib significantly inhibited the growth of PRKCD_pY313 overexpression cells, and this effect could be enhanced by Adezmapimod. In nude mice xenograft model, PRKCD_pY313 significantly promoted tumor progression, accompanied by increased levels of Ki-67, Bcl-xl and Vimentin, and decreased levels of Bad, cleaved caspase 3 and ZO1, which was opposite to the trend of Y313F group. Collectively, the heterogeneity of phosphorylation exists in different molecular subtypes of breast cancer. PRKCD_pY313 activates Src and accelerates TNBC progression, which could be inhibited by Dasatinib. Triple-negative breast cancer ; Cancer research ; Phosphorylation ; Breast cancer ; Kinase ; Metastasis ; Biology ; Cancer ; Proto-oncogene tyrosine-protein kinase Src ; MAPK/ERK pathway ; Signal transduction ; p38 mitogen-activated protein kinases ; Cell biology Advanced Proteomics Techniques and Applications ; Cell Adhesion Molecules Research ; S100 Proteins and Annexins