jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lamyaa M. Almehmadi | Igor K. Lednev
Source: The Journal of Physical Chemistry C (review, 2024-09-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Surface-Enhanced Raman Spectroscopy at the Interface between Drug Discovery and Personalized Medicine Personalized medicine and drug discovery are different, yet overlapping, fields, and information from each field is exchanged to improve the other. The current methods used for devising personalized therapeutic plans and developing drug discovery applications are costly, time-consuming, and complex; thus, their applicability is limited in both fields. However, surface-enhanced Raman spectroscopy (SERS) offers potential solutions to current challenges. This Mini-Review explores the utility of SERS in drug discovery and personalized medicine. The Mini-Review starts with a brief overview of these fields, including the main challenges and current methods, and then explores examples where SERS has been used to overcome some of the main challenges in both fields. It ends with brief conclusions, perspectives, and current challenges limiting the practical application of SERS. Drug discovery ; Personalized medicine ; Surface-enhanced Raman spectroscopy ; Raman spectroscopy ; Interface (matter) ; Drug ; Materials science ; Nanotechnology ; Computer science ; Medicine ; Pharmacology ; Bioinformatics ; Physics ; Raman scattering ; Biology ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy Techniques in Biomedical and Chemical Research ; Biosensors and Analytical Detection
Authors: Ahmed Fouly | Walid M. Daoush | Hesham I. Elqady | Hany S. Abdo
Source: Friction (article, 2024-08-29)
Field: Materials Science — Biomaterials

Fabrication of PMMA nanocomposite biomaterials reinforced by cellulose nanocrystals extracted from rice husk for dental applications Abstract The primary objective of global studies is to develop the properties and durability of polymers for various applications. When it comes to dental disability, denture base materials must have sufficient mechanical and tribological performance in order to withstand the forces experienced in the mouth. This work aims to investigate the effects of the addition of low content of cellulose nanocrystals (CNC) on the mechanical and tribological performance of the polymethyl methacrylate (PMMA) nanocomposites. Different weight percent of CNC (0, 0.2, 0.4, 0.6, and 0.8 wt%) were added to the PMMA matrix followed by ball milling to evenly distribute the nanoparticles reinforced phase in the matrix phase. The findings emphasize the significant impact of CNC integration on the performance of PMMA nanocomposites. By increasing the content of the CNC nanoparticles, the mechanical properties of PMMA were improved. In addition, the tribological outcomes demonstrated a significant reduction in the friction coefficient besides an enhancement in the wear resistance as the weight percentage of nanoparticles increased. The surface of the worn samples was investigated by utilizing SEM to identify the wear mechanisms corresponding to the different compositions. In addition, a finite elment model (FEM) was developed to ascertain the thickness of the worn layer and the generated stressed on the surfaces of the nanocomposite throughout the friction process. Husk ; Nanocomposite ; Materials science ; Cellulose ; Fabrication ; Nanocrystal ; Composite material ; Nanotechnology ; Chemical engineering Advanced Cellulose Research Studies ; biodegradable polymer synthesis and properties ; Natural Fiber Reinforced Composites
Authors: Bastian Beitzinger | Roman Schmid | Christoph Jung | Kanishka Tiwary | Patrick Hermann | Timo Jacob | Mika Lindén
Source: Langmuir (article, 2024-02-12)
Field: Materials Science — Biomaterials

Confinement and Polarity Effects on the Peptide Packing Density on Mesoporous Silica Nanoparticles The adsorption of cationic peptide JM21 onto different mesoporous silica nanoparticles (MSNs) from an aqueous solution was studied as a function of pH. In agreement with the literature, the highest loading degrees could be achieved at pH close to the isoelectric point of the peptide where the peptide-peptide repulsion is minimum. However, mesopore size, mesopore geometry, and surface polarity all had an influence on the peptide adsorption in terms of both affinity and maximum loading at a given pH. This adsorption behavior could largely be explained by a combination of pH-dependent electrostatic interactions and confinement effects. It is demonstrated that hydrophobic interactions enhance the degree of peptide adsorption under pH conditions where the electrostatic attraction was absent in the case of mesoporous organosilica nanoparticles (MONs). The lower surface concentration of silanol groups for MON led to a lower level of peptide adsorption under optimum pH conditions compared to all-silica particles. Finally, the study confirmed the protective role of MSNs in preserving the biological activity of JM#21 against enzymatic degradation, even for large-pore MSNs, emphasizing their potential as nanocarriers for therapeutic peptides. By integrating experimental findings with theoretical modeling, this research elucidates the complex interplay of factors that influence peptide-silica interactions, providing vital insights for optimizing peptide loading and stabilization in biomedical applications. Mesoporous silica ; Nanoparticle ; Polarity (international relations) ; Peptide ; Sphere packing ; Chemical engineering ; Mesoporous material ; Nanotechnology ; Materials science ; Silicon dioxide ; Chemistry ; Organic chemistry ; Catalysis ; Composite material ; Biochemistry Supramolecular Self-Assembly in Materials ; Protein Hydrolysis and Bioactive Peptides ; Advanced Drug Delivery Systems
Authors: Roxana Banc | Lorena Filip | Anamaria Cozma-Petruț | Daniela Ciobârcă | Doina Miere
Source: Bulletin of University of Agricultural Sciences and Veterinary Medicine Cluj-Napoca Food Science and Technology (review, 2024-05-15)
Field: Chemistry — Analytical Chemistry

Yellow and Red Synthetic Food Dyes and Potential Health Hazards: A Mini Review Synthetic dyes are widely used in the food industry to maintain or restore the colour of food during processing or storage, the azo ones occupying the first place in terms of the extent of use. Compared to dyes obtained from natural sources, synthetic ones present relevant advantages, such as higher stability and lower cost. Despite these advantages, their use has been linked to side effects, such as allergic reactions, carcinogenic effects, behavioural and neurocognitive effects, but also medium and long-term toxicity. In this context, this review describes the most used yellow and red synthetic dyes, namely Tartrazine, Quinoline Yellow, Sunset Yellow FCF, Carmoisine/Azorubine, Amaranth, Ponceau 4R, Allura Red AC, as well as their applications in food products. Moreover, it aims to provide current data on the toxicity issues and the possible negative effects on children's behaviour of these dyes, based on the evaluations previously carried out by European Food Safety Authority (EFSA), but also on subsequent studies available in the literature. Environmental health ; Environmental science ; Medicine Dye analysis and toxicity
Authors: Seishi Shimizu | Nobuyuki Matubayasi
Source: The Journal of Physical Chemistry B (article, 2024-06-03)
Field: Materials Science — Materials Chemistry

Synergistic Solvation as the Enhancement of Local Mixing Mixing two solvents can sometimes make a much better solvent than expected from their weighted mean. This phenomenon, called synergistic solvation, has commonly been explained via the Hildebrand and Hansen solubility parameters, yet their inability in other solubilization phenomena, most notably hydrotropy, necessitates an alternative route to elucidating solubilization. While, recently, the universal theory of solubilization was founded on the statistical thermodynamic fluctuation theory (as a generalization of the Kirkwood-Buff theory), its demand for experimental data processing has been a hindrance for its wider application. This can be overcome by the solubility isotherm theory, which is founded on the fluctuation theory yet reduces experimental data processing significantly to the level of isotherm analysis in sorption. The isotherm analysis identifies the driving force of synergistic solvation as the enhancement of solvent mixing around the solute, opposite in behavior to hydrotropy (characterized by the enhancement of demixing or self-association around the solute). Thus, the fluctuation theory, including its solubility isotherms, provides a universal language for solubilization across the historic subcategorization of solubilizers, for which different (and often contradictory) mechanistic models have been proposed. Solvation ; Mixing (physics) ; Chemical physics ; Chemistry ; Materials science ; Physics ; Molecule ; Organic chemistry Crystallization and Solubility Studies ; Thermodynamic properties of mixtures ; Material Dynamics and Properties
Authors: Sumeera Asghar | Zhenyang Yu | Mengjin Zhu | Dengyue Zheng | Zhigang Zhao | Yuming Xu | Xiao Liu | Chao Yuan | Yan Li | Wei Wang | Jianfeng Xu | Huailong Teng | Jun Li | Wen‐Chao Yang | Chunli Chen
Source: Research (article, 2024-12-17)
Field: Chemistry — Spectroscopy

Visualization of Hg <sup>2+</sup> Stress on Plant Health at the Subcellular Level Revealed by a Highly Sensitive Fluorescent Sensor The presence of Hg<sup>2+</sup> causes substantial stress to plants, adversely affecting growth and health by disrupting cell cycle divisions, photosynthesis, and ionic homeostasis. Accurate visualization of the spatiotemporal distribution of Hg<sup>2+</sup> in plant tissues is crucial for the management of Hg pollution; however, the related research is still at its early stage. Herein, a small-molecule amphiphilic fluorescent probe (termed <b>LJTP2</b>) was developed for the specific detection of Hg<sup>2+</sup> with a high sensitivity (~16 nM). Fluorescent imaging applications with <b>LJTP2</b> not only detected the dynamic distribution of Hg<sup>2+</sup> within plant cells at the subcellular level but also enabled the understanding of cell membrane health under Hg<sup>2+</sup> stress. This study introduces a valuable imaging tool for elucidating the molecular mechanism of Hg<sup>2+</sup> stress in plants, demonstrating the potential of the application of small-molecule fluorescent probes in plant science. Visualization ; Fluorescence ; Stress (linguistics) ; Computational biology ; Biology ; Computer science ; Physics ; Data mining ; Optics Molecular Sensors and Ion Detection ; Carbon and Quantum Dots Applications ; Advanced biosensing and bioanalysis techniques
Authors: Afroz Khan | B. K. Naveen Kumar | K. J. Anand | E. Ashoka | G Hareesha
Source: Frattura ed Integrità Strutturale (article, 2024-12-13)
Field: Materials Science — Polymers and Plastics

Development and mechanical characterization of eggshell bio-filler based hybrid composites Hybridization of natural fiber composite by incorporating waste- derived fillers has been identified as a promising sustainable technique to develop environmentally friendly and economical composites with enhanced mechanical properties. This study explores the mechanical performance of hybrid bamboo-epoxy composites incorporated with bio filler derived from waste chicken eggshells. Compression molding was employed to develop unfilled and eggshell powder filled bamboo composites by varying eggshell content (2, 4, and 6 wt%) while maintaining constant bamboo fiber wt%. Composites were tested for mechanical properties by performing tensile test, flexural test, and impact test per ASTM standards. Results indicated that eggshell filler inclusion significantly modifies the tensile, flexural, and impact strength properties of base bamboo composite. Adding eggshell filler enhanced tensile and flexural properties which was attributed to improved interfacial bonding and efficient stress transfer. Optimal filler was achieved for composites with 4 wt % eggshell exhibiting 13.5% improvement in tensile strength and 16.4% improvement in flexural strength. While reduction in impact strength observed was attributed to incorporation of inorganic eggshell filler which mainly consists of CaCo3 content. The fractography studies revealed the improved fiber-matrix interaction with the inclusion of filler, reduced fiber pullouts, and failure by fiber breakage supporting the observed experimental results. Composite material ; Materials science ; Flexural strength ; Eggshell ; Filler (materials) ; Ultimate tensile strength ; Composite number ; Fiber ; Epoxy ; Compression molding ; Mold Natural Fiber Reinforced Composites ; Bamboo properties and applications ; Innovations in Concrete and Construction Materials
Authors: Shreyas Arvindekar | Aditi Pathak | Kartik Majila | Shruthi Viswanath
Source: Bioinformatics (article, 2024-02-21)
Field: Materials Science — Materials Chemistry

Optimizing representations for integrative structural modeling using Bayesian model selection NestOR is implemented in the Integrative Modeling Platform (https://integrativemodeling.org) and is available at https://github.com/isblab/nestor. Data for the benchmark is at https://www.doi.org/10.5281/zenodo.10360718. Computer science ; Benchmark (surveying) ; Representation (politics) ; Selection (genetic algorithm) ; Sampling (signal processing) ; Model selection ; Bayesian probability ; Data mining ; Machine learning ; Key (lock) ; Artificial intelligence Machine Learning in Materials Science ; Protein Structure and Dynamics ; Polymer crystallization and properties
Authors: Zaijun Jiang | Jiefeng Liu | Xianhao Fan | Heng Zhang | Enze Zhang | Boshu Song | Yiyi Zhang
Source: High Voltage (article, 2024-03-18)
Field: Materials Science — Materials Chemistry

Microscopic mechanisms analysis of various dielectric response processes in oil‐paper insulation with different insulating states Abstract Various dielectric response processes in the oil‐paper insulation are sensitively affected by the insulating states (ageing degrees and moisture contents). However, the existing research is still incomplete in revealing the microscopic mechanisms of various dielectric response processes in oil‐paper insulation with different insulating states. Given this issue, the genetic algorithm is first adopted to extract the Dissado–Hill (D–H) model parameters by simulating the frequency domain spectroscopy (FDS) of oil‐paper insulation. Then, the change laws of the extracted D–H model parameters are adopted to reveal the microscopic mechanisms of various dielectric response processes. Microscopic mechanisms of four dielectric response processes are studied, which are quasi‐dc relaxation, loss peak relaxation, optical frequency relaxation, and DC conductance. Meanwhile, due to the dielectric response processes being dominated by various polar particles (methanol, ethanol, furfural, and water molecule), the contents of various ageing by‐products dissolved in the insulating oil are measured to support the above analysis. In this respect, a dielectric theoretical reference for the FDS technique to research the insulating states of oil‐paper insulation is provided. Dielectric response ; Materials science ; Dielectric ; Composite material ; Engineering physics ; Optoelectronics ; Engineering High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Lightning and Electromagnetic Phenomena
Authors: Pablo Graván | Sara Rojas | Darina Francesca Picchi | F. Galisteo‐González | Patricia Horcajada | Juan Antonio Marchal
Source: Nanomaterials (article, 2024-04-30)
Field: Chemistry — Inorganic Chemistry

Towards a More Efficient Breast Cancer Therapy Using Active Human Cell Membrane-Coated Metal–Organic Frameworks The recent description of well-defined molecular subtypes of breast cancer has led to the clinical development of a number of successful molecular targets. Particularly, triple-negative breast cancer (TNBC) is an aggressive type of breast cancer with historically poor outcomes, mainly due to the lack of effective targeted therapies. Recent progresses in materials science have demonstrated the impressive properties of metal-organic framework nanoparticles (NPs) as antitumoral drug delivery systems. Here, in a way to achieve efficient bio-interfaces with cancer cells and improve their internalization, benchmarked MIL-100(Fe) NPs were coated with cell membranes (CMs) derived from the human TNBC cell line MDA-MB-468. The prepared CMs-coated metal-organic framework (CMs_MIL-100(Fe)) showed enhanced colloidal stability, cellular uptake, and cytotoxicity in MDA-MB-468 cells compared to non-coated NPs, paving the way for these human CMs-coated MIL-100(Fe) NPs as effective targeted therapies against the challenging TNBC. Breast cancer ; Internalization ; Triple-negative breast cancer ; Nanotechnology ; Human breast ; Cytotoxicity ; Metal-organic framework ; Materials science ; Cancer research ; Cancer cell ; Drug delivery ; Cancer ; Cell ; Chemistry ; Medicine ; Internal medicine ; Biochemistry ; In vitro ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Dendrimers and Hyperbranched Polymers
Authors: Ana Sánchez‐Iglesias | Marek Grzelczak
Source: Small (article, 2024-11-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Expanding Chemical Space in the Synthesis of Gold Bipyramids Gold bipyramids (AuBPs), despite having superior properties compared to their spectroscopically similar counterparts, gold nanorods, have found comparatively limited applications. This discrepancy is primarily due to the lack of protocols to tailor their dimensions. Typically, the concentration of Au seeds is virtually the sole factor that determines the aspect ratio and thus, the optical properties of AuBPs. As a result, varying the volumes of AuBPs while incurring minimal changes to their optical spectra remains a synthetically non-trivial task. Here, the chemical space in the seeded growth of AuBPs, is expanded by exploiting the interplay between bromide, silver ions, and seed concentration for tuning the final dimensions and optical properties of AuBPs. Specifically, a 6 fold change in volumes of AuBPs is achieved while maintaining the fixed plasmon band position. Further overgrowth of as-prepared bipyramids broadens the realizable dimensions without compromising quality and initial morphology. Overall, the results expand the chemical toolbox in the wet-chemistry synthesis of anisotropic gold nanoparticles, which is relevant for health, colorimetric sensors, and energy applications. Materials science ; Space (punctuation) ; Nanotechnology ; Chemical space ; Chemical engineering ; Chemistry ; Computer science ; Engineering Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Brett J. Kagan | Michael Mahlis | Anjali Bhat | Josh Bongard | Victor Cole | Philip R. Corlett | Christopher Gyngell | Thomas Härtung | Bianca Jupp | Michael Levin | Tamra Lysaght | Nicholas Opie | Adeel Razi | Lena Smirnova | Ian Tennant | P. Wade | Ge Wang
Source: The Innovation (review, 2024-06-18)
Field: Materials Science — Materials Chemistry

Toward a nomenclature consensus for diverse intelligent systems: Call for collaboration Disagreements about language use are common both between and within fields. Where interests require multidisciplinary collaboration or the field of research has the potential to impact society at large, it becomes critical to minimize these disagreements where possible. The development of diverse intelligent systems, regardless of the substrate (e.g., silicon vs. biology), is a case where both conditions are met. Significant advancements have occurred in the development of technology progressing toward these diverse intelligence systems. Whether progress is silicon based, such as the use of large language models, or through synthetic biology methods, such as the development of organoids, a clear need for a community-based approach to seeking consensus on nomenclature is now vital. Here, we welcome collaboration from the wider scientific community, proposing a pathway forward to achieving this intention, highlighting key terms and fields of relevance, and suggesting potential consensus-making methods to be applied. Relevance (law) ; Multidisciplinary approach ; Field (mathematics) ; Nomenclature ; Computer science ; Data science ; Engineering ethics ; Knowledge management ; Management science ; Political science ; Taxonomy (biology) ; Sociology ; Engineering ; Biology ; Ecology ; Social science Machine Learning in Materials Science ; Semantic Web and Ontologies ; Scientific Computing and Data Management
Authors: Lin Zhu | Qiao Li | Yuanming Gao | Lizhen Wang | Yubo Fan
Source: Medicine in Novel Technology and Devices (article, 2024-03-11)
Field: Materials Science — Biomaterials

Multi-objective structural optimization and degradation model of magnesium alloy ureteral stent Mg alloys have attractive properties, including biocompatibility, biodegradability, and ideal mechanical properties. Moreover, Mg alloys are regarded as one of the promising candidates for manufacturing ureteral stents. This study proposed a multi-objective optimization method based on the Kriging surrogate model, NSGA-Ⅲ, and finite element analysis to improve the degradation performance of Mg alloy ureteral stents. The finite element model for the degradation of Mg alloy ureteral stents has been established to compare the degradation performance of the stents under different parameters. Latin hypercube sampling was adopted to generate train sample points in the design space. Meanwhile, the Kriging surrogate model was constructed between strut parameters and stent degradation behavior. The NSGA-Ⅲ was utilized to determine the optimal solution in the global design space. The optimized stent achieved 5.52× degradation uniformity (M), 10× degradation time (DT), and 4× work time (FT). The errors between the Kriging surrogate model and the finite element calculation results were less than 6%. The optimized stent achieved better degradation performance. The degradation behavior of stents was dependent on the design parameters. The multi-objective optimization method based on the Kriging surrogate model and finite element analysis was effective in stent design optimization problems. Kriging ; Finite element method ; Surrogate model ; Degradation (telecommunications) ; Materials science ; Latin hypercube sampling ; Alloy ; Mathematical optimization ; Computer science ; Structural engineering ; Composite material ; Mathematics ; Engineering Magnesium Alloys: Properties and Applications ; Aluminum Alloy Microstructure Properties ; Corrosion Behavior and Inhibition