jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Andrea Kirsch | Guilherme B. Strapasson | Niels Lefeld | Mathias Gogolin | Mark C. Videbæk | Soham Banerjee | Heloisa N. Bordallo | Kirsten M. Ø. Jensen
Source: Chemistry of Materials (article, 2024-12-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Control of Crystallization Pathways in the BiFeO <sub>3</sub> –Bi <sub>2</sub> Fe <sub>4</sub> O <sub>9</sub> System Bismuth ferrites, specifically perovskite-type BiFeO<sub>3</sub> and mullite-type Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub>, hold significant technological promise as catalysts, photovoltaics, and room-temperature multiferroics. However, challenges arise due to their frequent cocrystallization, particularly in the nanoregime, hindering the production of phase-pure materials. This study unveils a controlled sol-gel crystallization approach, elucidating the phase formation complexities in the bismuth ferrite oxide system by coupling thermochemical analysis and total scattering with pair distribution function analysis. We tune the crystallization pathways in the BiFeO<sub>3</sub>-Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub> system by adjusting the metal to complexing agent ratio and pH during precursor preparation with a fixed Bi/Fe ratio of 1:2. Although all precursors undergo an amorphization process during heating, our results demonstrate a consistent correlation between the crystallization pathway and the initial structural entities formed during gel formation. Pair distribution function analysis reveals structural differences in the intermediate amorphous structures, which preferentially crystallize into either BiFeO<sub>3</sub> or Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub>. This study offers mechanistic insights into the formation processes in the system and synthetic guidance for the controlled synthesis of pure Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub> and mixed BiFeO<sub>3</sub>/Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub> nanomaterials. Additionally, it elucidates the unusual growth behavior and structural size dependence of Bi<sub>2</sub>Fe<sub>4</sub>O<sub>9</sub>, particularly highlighting significant distortions in the local structure likely induced by the proximity of Bi's stereoactive lone electron pairs at small sizes. Bismuth ferrite ; Crystallization ; Materials science ; Bismuth ; Amorphous solid ; Mullite ; Perovskite (structure) ; Phase (matter) ; Chemical engineering ; Chemical physics ; Crystallography ; Multiferroics ; Ceramic ; Ferroelectricity ; Chemistry ; Optoelectronics Multiferroics and related materials ; Ferroelectric and Piezoelectric Materials ; Advanced Condensed Matter Physics
Authors: Felipe S. Lima | Cícero da Rocha Souto | Andersson Oliveira | Alysson Domingos Silvestre | Railson M. N. Alves | Sebastião E. S. Santos | Ricardo S. Gomez | Glauco R. F. Brito | André Luiz Dantas Bezerra | Diogenes S. M. Santana | Antônio Gilson Barbosa de Lima
Source: Sensors (article, 2024-07-31)
Field: Materials Science — Materials Chemistry

A Novel Design of a Torsional Shape Memory Alloy Actuator for Active Rudder SMA actuators are a group of lightweight actuators that offer advantages over conventional technology and allow for simple and compact solutions to the increasing demand for electrical actuation. In particular, an increasing number of SMA torsional actuator applications have been published recently due to their ability to supply rotational motion under load, resulting in advantages such as module simplification and the reduction of overall product weight. This paper presents the conceptual design, operating principle, experimental characterization and working performance of torsional actuators applicable in active rudder in aeronautics. The proposed application comprises a pair of SMA torsion springs, which bi-directionally actuate the actuator by Joule heating and natural cooling. The experimental results confirm the functionality of the torsion springs actuated device and show the rotation angle of the developed active rudder was about 30° at a heating current of 5 A. After the design and experiment, one of their chief drawbacks is their relatively slow operating speed in rudder positioning, but this can be improved by control strategy and small modifications to the actuator mechanism described in this work. Rudder ; Actuator ; Torsion (gastropod) ; SMA* ; Torsion spring ; Shape-memory alloy ; Mechanical engineering ; Engineering ; Computer science ; Aerospace engineering ; Electrical engineering Shape Memory Alloy Transformations
Authors: Yong Wang | Huiying Che | L. Qu | Xin Lu | Mingdong Dong | Bo Sun | Hongjian Guan
Source: iScience (review, 2024-11-15)
Field: Materials Science — Materials Chemistry

The role of nanomaterials in revolutionizing ischemic stroke treatment: Current trends and future prospects Ischemic stroke has a high disability rate, which leads to irreversible neuronal death. The efficacy of conventional stroke treatments, including thrombolytic and neuroprotective therapies, is constrained by a number of factors, including safety concerns and inefficient drug delivery. The advent of nanomaterials has created new avenues for stroke therapy, facilitating enhanced pharmacokinetic behavior of drugs, effective drug accumulation at the target site, augmented therapeutic efficacy, and concomitant reduction in side effects. Therefore, this paper pioneers a research approach that summarized the development trend and clinical value of nanomaterials in the field of ischemic stroke through bibliometric analysis. This review provides an overview of the pathophysiological mechanisms of stroke and examines the current research trends in the use of nanomaterials in stroke management. It encompasses a multitude of domains, including targeted drug delivery systems, biosensors for the sensitive detection of biomarkers, and neuroprotective nanotechnologies capable of traversing the blood-brain barrier. Moreover, we investigate the challenges that nanomaterials encounter in the clinical translation context, including those pertaining to biocompatibility and long-term safety. These results have provided the clinical value and limitations of nanomaterials in the diagnosis and treatment of ischemic stroke from double perspectives, thereby offering new avenues for the further development of innovative nanotherapeutic tools. Stroke (engine) ; Nanomaterials ; Current (fluid) ; Medicine ; Nanotechnology ; Neuroscience ; Engineering ; Biology ; Materials science Advanced Nanomaterials in Catalysis ; Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics
Authors: Sandeep K. Mishra | Jessica Gois Santana | Jelena Mihailović | Fahmeed Hyder | Daniel Coman
Source: NMR in Biomedicine (article, 2024-01-23)
Field: Materials Science — Materials Chemistry

Transmembrane pH gradient imaging in rodent glioma models A unique feature of the tumor microenvironment is extracellular acidosis in relation to intracellular milieu. Metabolic reprogramming in tumors results in overproduction of H<sup>+</sup> ions (and lactate), which are extruded from the cells to support tumor survival and progression. As a result, the transmembrane pH gradient (ΔpH), representing the difference between intracellular pH (pH<sub>i</sub>) and extracellular pH (pH<sub>e</sub>), is posited to be larger in tumors compared with normal tissue. Controlling the transmembrane pH difference has promise as a potential therapeutic target in cancer as it plays an important role in regulating drug delivery into cells. The current study shows successful development of an MRI/MRSI-based technique that provides ΔpH imaging at submillimeter resolution. We applied this technique to image ΔpH in rat brains with RG2 and U87 gliomas, as well as in mouse brains with GL261 gliomas. pH<sub>i</sub> was measured with Amine and Amide Concentration-Independent Detection (AACID), while pH<sub>e</sub> was measured with Biosensor Imaging of Redundant Deviation in Shifts (BIRDS). The results indicate that pH<sub>i</sub> was slightly higher in tumors (7.40-7.43 in rats, 7.39-7.47 in mice) compared with normal brain (7.30-7.38 in rats, 7.32-7.36 in mice), while pH<sub>e</sub> was significantly lower in tumors (6.62-6.76 in rats, 6.74-6.84 in mice) compared with normal tissue (7.17-7.22 in rats, 7.20-7.21 in mice). As a result, ΔpH was higher in tumors (0.64-0.81 in rats, 0.62-0.65 in mice) compared with normal brain (0.13-0.16 in rats, 0.13-0.16 in mice). This work establishes an MRI/MRSI-based platform for ΔpH imaging at submillimeter resolution in gliomas. Extracellular ; Glioma ; Intracellular pH ; Transmembrane protein ; Intracellular ; Chemistry ; Acidosis ; Tumor microenvironment ; Cancer research ; Biophysics ; Biology ; Pathology ; Biochemistry ; Endocrinology ; Medicine ; Tumor cells ; Receptor Lanthanide and Transition Metal Complexes ; Advanced NMR Techniques and Applications ; Advanced MRI Techniques and Applications
Authors: Yi Cai | Ning Ma | Ningpeng Wu | Jian‐Ping Wang
Source: Food Quality and Safety (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Development of a competitive array for discriminative determination of amphenicols in egg based on ribosomal protein L16 Abstract Objective Amphenicols (chloramphenicol, thiamphenicol and florfenicol) can cause aplastic anaemia and other severe side effects to consumers; therefore, it is necessary to inspect their residues in foods of animal origin. However, there has been no report on the use of amphenicols receptor for the determination of their residues, and none of the previously reported immunoassays for amphenicols can differentiate the specific species. Materials and Methods In this study, the ribosomal protein L16 of Escherichia coli was first expressed, and its intermolecular interaction mechanisms with the three amphenicols was studied using the molecular docking technique. The protein was then combined with three enzyme-labelled conjugates to develop a direct competitive array on microplate for determination of the three drugs in egg. Results Due to the use of principal component analysis to analyse the data, this method could discriminate the three drugs in the range 0.1–10 ng/mL, and the limits of detection for the three drugs were in the range of 0.0002–0.0009 ng/mL. The analysis results for the unknown egg samples were consistent with a liquid chromatography–tandem mass spectrometry method, and the method performances were superior to the previous immunoassays for amphenicols. Conclusion This is the first paper reporting the use of ribosomal protein L16 to develop a competitive array for discriminative determination of amphenicols in food samples. Thiamphenicol ; Chromatography ; Chemistry ; Ribosomal protein ; Chloramphenicol ; Tandem mass spectrometry ; Mass spectrometry ; Biochemistry ; Ribosome ; Antibiotics Analytical Chemistry and Chromatography ; Mass Spectrometry Techniques and Applications ; Microfluidic and Capillary Electrophoresis Applications
Authors: Yuming Jiang | Jesse G. Meyer
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-02-08)
Field: Chemistry — Spectroscopy

1.4 min Plasma Proteome Profiling via Nanoparticle Protein Corona and Direct Infusion Mass Spectrometry Non-invasive detection of protein biomarkers in plasma is crucial for clinical purposes. Liquid chromatography mass spectrometry (LC-MS) is the gold standard technique for plasma proteome analysis, but despite recent advances, it remains limited by throughput, cost, and coverage. Here, we introduce a new hybrid method, which integrates direct infusion shotgun proteome analysis (DISPA) with nanoparticle (NP) protein coronas enrichment for high throughput and efficient plasma proteomic profiling. We realized over 280 protein identifications in 1.4 minutes collection time, which enables a potential throughput of approximately 1,000 samples daily. The identified proteins are involved in valuable pathways and 44 of the proteins are FDA approved biomarkers. The robustness and quantitative accuracy of this method were evaluated across multiple NPs and concentrations with a mean coefficient of variation at 17%. Moreover, different protein corona profiles were observed among various nanoparticles based on their distinct surface modifications, and all NP protein profiles exhibited deeper coverage and better quantification than neat plasma. Our streamlined workflow merges coverage and throughput with precise quantification, leveraging both DISPA and NP protein corona enrichments. This underscores the significant potential of DISPA when paired with NP sample preparation techniques for plasma proteome studies. Mass spectrometry ; Proteome ; Nanoparticle ; Chemistry ; Plasma ; Chromatography ; Profiling (computer programming) ; Analytical Chemistry (journal) ; Materials science ; Nanotechnology ; Physics ; Computer science ; Biochemistry ; Nuclear physics Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Biosensors and Analytical Detection
Authors: Astrid Walrant | Emmanuelle Sachon
Source: Mass Spectrometry Reviews (review, 2024-04-05)
Field: Chemistry — Organic Chemistry

Photoaffinity labeling coupled to MS to identify peptide biological partners: Secondary reactions, for better or for worse? Affinity photolabeling is a smart method to study noncovalent and transient interactions and provide a submolecular picture of the contacts between interacting partners. In this review, we will focus on the identification of peptide partners using photoaffinity labeling coupled to mass spectrometry in different contexts such as in vitro with a purified potential partner, in model systems such as model membranes, and with live cells using both targeted and nontargeted proteomics studies. Different biological partners will be described, among which glycoconjugates, oligonucleotides, peptides, proteins, and lipids, with the photoreactive label inserted either on the peptide of interest or on the potential partner. Particular attention will be paid to the observation and characterization of specific rearrangements following the photolabeling reaction, which can help characterize photoadducts and provide a better understanding of the interacting systems and environment. Chemistry ; Photoaffinity labeling ; Peptide ; Chromatography ; Computational biology ; Biophysics ; Combinatorial chemistry ; Biochemistry ; Receptor Click Chemistry and Applications ; Monoclonal and Polyclonal Antibodies Research ; Advanced Proteomics Techniques and Applications
Authors: Hamid Shahsavari | Xi Chen | Georgino Kaleng Tshikwand | Frank Wendler | Manfred Kohl
Source: Advanced Engineering Materials (article, 2024-10-22)
Field: Materials Science — Materials Chemistry

Finite‐Element Analysis of an Antagonistic Bistable Shape Memory Alloy Beam Actuator A finite‐element (FE) analysis of the active bistability of an antagonistic shape memory alloy (SMA) beam actuator of TiNiCu is presented. The actuator comprises two coupled SMA beams that are clamped at both ends and coupled in their center by a spacer having different memory shapes being deflected in opposite out‐of‐plane directions. The actuator is characterized by two equilibrium positions. To determine bistable behavior as a function of geometrical parameters, a force criterion is defined by the coupling force of the beams in austenitic and martensitic states. Bistable behavior is achieved, if the coupling force does not change sign in the entire displacement range. This implies that the austenitic beam dominates the opposing martensitic beam. Thus, selective heating of the SMA beams results in a snap‐through motion of the coupled SMA beams. Depending on which of the two beams is in austenitic state, either of the two equilibrium positions is reached without the need for an external force. It is demonstrated that geometrical parameters like initial predeflection and spacer length have a crucial effect on the bistable performance. Bistable regions as well as critical limits characterized by geometry‐dependent stability ratios, beyond which the actuator's performance becomes monostable, are identified. Materials science ; Shape-memory alloy ; Bistability ; Actuator ; Finite element method ; Beam (structure) ; Alloy ; Structural engineering ; Mechanical engineering ; Composite material ; Optoelectronics ; Electrical engineering ; Engineering Shape Memory Alloy Transformations ; Topology Optimization in Engineering ; Innovations in Concrete and Construction Materials
Authors: L. E. López-González | R. Ponce‐Pérez | Hugo Tiznado | J. Guerrero-Sánchez
Source: Physical Chemistry Chemical Physics (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Understanding the role of carboxylic acid surfactants in the growth inhibition effect during area-selective atomic layer deposition: the case of ZnO growth on Cu and Cu<sub>2</sub>O Herein, we report a detailed adsorption process of acetic acid (AA) as a model for the head group of carboxylic acid self-assembled monolayers on Cu and Cu<sub>2</sub>O (111) surfaces and the effect of diethyl zinc (DEZ) on its adsorption geometry on Cu<sub>2</sub>O (111) using quantum chemical calculations. The most stable adsorption configurations were obtained considering electrostatic potential compatibility from the molecule and surface. Overall, the adsorption behavior revealed bidentate binding as the most stable configuration. Weak van der Waals interactions are key in AA adsorption on Cu (111), while in Cu<sub>2</sub>O (111), coordination and hydrogen bonds dominated the interaction. AA adsorption geometry on Cu<sub>2</sub>O revealed that DEZ has no significative impact on the carbonyl-chemisorbed AA and bidentate adsorption modes. These results highlight the significance of the different adsorption modes for achieving area-selective deposition using atomic layer deposition and soft removal SAM molecules. Layer (electronics) ; Atomic layer deposition ; Deposition (geology) ; Chemistry ; Carboxylic acid ; Copper ; Chemical engineering ; Nanotechnology ; Materials science ; Organic chemistry ; Geology ZnO doping and properties ; Copper-based nanomaterials and applications ; Semiconductor materials and devices
Authors: Amanda Schmidt | Alexander Greenhalgh | Stefan Jockenhoevel | Alicia Fernández‐Colino | Martin Frydrych
Source: Advanced Materials Technologies (article, 2024-10-18)
Field: Materials Science — Biomaterials

Manufacturing of Anisotropic Protein‐Based Scaffolds to Precisely Mimic Native‐Tissue Mechanics Abstract Biological and mechanical mismatches between engineered scaffolds and native tissues poses widespread challenges for tissue restoration. Native‐like anisotropy is a critical characteristic for functional tissue replacements, yet it is an often‐overlooked aspect when designing new scaffolds. In this study, fiber‐reinforced tubular scaffolds are developed, mimicking the anisotropic characteristics of natural tissues, using native‐like silk fibroin. To predict the mechanical behavior of these innovative scaffolds, a mathematical model is employed, utilizing the properties of the scaffolds’ constituent materials, and experimentally validated through tensile testing. This approach addresses significant challenges in the design of new scaffold implants by enabling to efficiently predict the performance of several configurations, narrowing down the experimental research space. The proposed platform constitutes an appealing tool for the development of clinically relevant tissue‐equivalents. Anisotropy ; Materials science ; Nanotechnology ; Biophysics ; Biomedical engineering ; Engineering ; Physics ; Biology ; Optics Silk-based biomaterials and applications ; Advanced Materials and Mechanics ; Bone Tissue Engineering Materials
Authors: Qingjie Xu | Haining Ji | Y. Ren | Yangyong Ou | Bin Liu | Yi Wang | Yongxing Chen | Long Peng | Cong Deng | Jingting Wang
Source: Nanomaterials (article, 2024-08-15)
Field: Materials Science — Polymers and Plastics

VO2-Based Spacecraft Smart Radiator with High Emissivity Tunability and Protective Layer In the extreme space environment, spacecraft endure dramatic temperature variations that can impair their functionality. A VO<sub>2</sub>-based smart radiator device (SRD) offers an effective solution by adaptively adjusting its radiative properties. However, current research on VO<sub>2</sub>-based thermochromic films mainly focuses on optimizing the emissivity tunability (Δ<i>ε</i>) of single-cycle sandwich structures. Although multi-cycle structures have shown increased Δ<i>ε</i> compared to single-cycle sandwich structures, there have been few systematic studies to find the optimal cycle structure. This paper theoretically discusses the influence of material properties and cyclic structure on SRD performance using Finite-Difference Time-Domain (FDTD) software, which is a rigorous and powerful tool for modeling nano-scale optical devices. An optimal structural model with maximum emissivity tunability is proposed. The BaF<sub>2</sub> obtained through optimization is used as the dielectric material to further optimize the cyclic resonator. The results indicate that the tunability of emissivity can reach as high as 0.7917 when the BaF<sub>2</sub>/VO<sub>2</sub> structure is arranged in three periods. Furthermore, to ensure a longer lifespan for SRD under harsh space conditions, the effects of HfO<sub>2</sub> and TiO<sub>2</sub> protective layers on the optical performance of composite films are investigated. The results show that when TiO<sub>2</sub> is used as the protective layer with a thickness of 0.1 µm, the maximum emissivity tunability reaches 0.7932. Finally, electric field analysis is conducted to prove that the physical mechanism of the smart radiator device is the combination of stacked Fabry-Perot resonance and multiple solar reflections. This work not only validates the effectiveness of the proposed structure in enhancing spacecraft thermal control performance but also provides theoretical guidance for the design and optimization of SRDs for space applications. Emissivity ; Radiator (engine cooling) ; Materials science ; Finite-difference time-domain method ; Optoelectronics ; Spacecraft ; Dielectric ; Low emissivity ; Optics ; Smart material ; Computer science ; Composite material ; Aerospace engineering ; Engineering ; Physics Transition Metal Oxide Nanomaterials ; Thermal Radiation and Cooling Technologies ; Spacecraft Design and Technology
Authors: Dário Grattapaglia | Wellington Bruno dos Santos Alves | Cleso Antônio Patto Pacheco
Source: Frontiers in Plant Science (article, 2024-06-03)
Field: Chemistry — Inorganic Chemistry

High-density linkage to physical mapping in a unique Tall × Dwarf coconut (Cocos nucifera L.) outbred F2 uncovers a major QTL for flowering time colocalized with the FLOWERING LOCUS T (FT) Our work provides strong phenotype-based evidence for the role of the FT locus as the putative underlying functional variant for the flowering time difference between Dwarf and Tall coconuts. Major effect QTLs were also detected for developmental traits of the palm, plausibly suggesting pleiotropism of the <i>FT</i> locus for other precocity traits. Haplotypes of the two SNPs flanking the flowering time QTL inherited from the Dwarf parent BGDJ caused a reduction in the time to flower of approximately 400 days. These SNPs could be used for high-throughput marker-assisted selection of early-flowering and higher-productivity recombinant lines, providing innovative genetic material to the coconut industry. Biology ; Quantitative trait locus ; Locus (genetics) ; Outcrossing ; Germplasm ; Genetics ; Hybrid ; Population ; Gene ; Botany Coconut Research and Applications ; Advances in Cucurbitaceae Research ; Peanut Plant Research Studies