jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: R. Weber | Beatriz Achón Buil | Nora H. Rentsch | Patrick Perron | Stefanie Halliday | Allison Bosworth | Mingzi Zhang | Kassandra Kisler | Chantal Bodenmann | Kathrin J. Zürcher | Daniela Uhr | Debora Meier | Siri L. Peter | Melanie Generali | Shuo Lin | Markus A. Rüegg | Roger M. Nitsch | Christian Tackenberg | Ruslan Rust
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-04-05)
Field: Materials Science — Biomaterials

Neural xenografts contribute to long-term recovery in stroke via molecular graft-host crosstalk Abstract Stroke is a leading cause of disability and death due to the brain’s limited ability to regenerate damaged neural circuits. To date, stroke patients have only few therapeutic options and are often left with considerable disabilities. Induced pluripotent stem cell (iPSC)-based therapies are emerging as a promising therapeutic approach for stroke recovery. In this study, we demonstrate that local transplantation of iPSC-derived neural progenitor cells (NPCs) improves long-term brain tissue repair responses and reduces neurological deficits after cerebral ischemia in mice. Using in vivo bioluminescence imaging and post-mortem histology, we show long-term graft survival over the course of five weeks and preferential graft differentiation into mature neurons without signs of pluripotent residuals. Transplantation of NPCs led to a set of brain tissue repair responses including increased vascular sprouting and repair, improved blood-brain barrier integrity, reduced microglial activation, and increased neurogenesis compared to littermate control animals receiving sham transplantation. Employing deep learning-assisted behavior analysis, we found that NPC-treated mice displayed improved gait performance and complete fine-motor recovery in the horizontal ladder rung walk, five weeks post-injury. To dissect the molecular graft composition and identify graft-host interactions, single nucleus profiling of the cell transplants and host stroke tissue was performed. We identified graft differentiation preferentially towards neurons with GABAergic and glutamatergic phenotypes in similar proportions, with the remaining cells acquiring astrocyte and NPC-like phenotypes. Interaction between graft and host transcriptome indicated that GABAergic cell grafts were primarily involved in graft-host communication through the regeneration-associated neurexin (NRXN), neuregulin (NRG), neural cell adhesion molecule (NCAM) and SLIT signalling pathways. In conclusion, our study reveals that transplanted iPSC-derived NPCs primarily differentiate into GABAergic neurons contributing to long-term recovery and further delineates the regenerative interactions between the graft and the stroke-injured host tissue. Neuroscience ; Stroke (engine) ; Brain Cell ; Human brain ; Medicine ; Pharmacology ; Psychology ; Physics Electrospun Nanofibers in Biomedical Applications ; 3D Printing in Biomedical Research ; Graphene and Nanomaterials Applications
Authors: Khanda F.M. Amin | Reem H. Obaydo | Ahmad Makmom Abdullah
Source: Results in Chemistry (article, 2024-09-10)
Field: Chemistry — Analytical Chemistry

Eco-friendly chemometric analysis: Sustainable quantification of five pharmaceutical compounds in bulk, tablets, and spiked human plasma The development of sustainable chemometric methodologies is crucial in pharmaceutical analysis to ensure accurate chemical quantification with little environmental effect. This study introduces novel chemometric techniques for the simultaneous measurement of Rabeprazole (RAB), Lansoprazole (LAN), Levofloxacin (LEV), Amoxicillin (AMO), and Paracetamol (PAR) in various samples, including lab-prepared mixtures, tablets, and spiked human plasma. Taguchi L25 (5^5) orthogonal array design to construct the calibration and validation sets was employed, the techniques used named Principal Component Regression (PCR), Partial Least Squares (PLS-2), Artificial Neural Networks (ANNs), and Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS). The models were validated for their effectiveness in resolving complex spectra from overlapping components, the models achieving high correlation coefficients (R≥0.9997) and the relative error of prediction (REP) and root mean square error of prediction (RMSEP), were (0.2221 to 0.8022) and (0.0352 to 0.1767), respectively. The bias-corrected mean square error of prediction (BCMSEP) was (−0.00065 to 0.00166). The application of various assessment tools for evaluating greenness, blueness, and whiteness offered valuable insights into the environmental impact and sustainability of the developed methods compared to the reported ones. According to the Need Quality Sustainability (NQS) index, the developed methods align with sustainable analytical practices and support the United Nations Sustainable Development Goals (UN-SDGs). Human plasma ; Chromatography ; Environmentally friendly ; Chemistry ; Environmental chemistry ; Biology Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Pesticide Residue Analysis and Safety
Authors: Varun Gupta | Zinnia Mallick | Amitava Choudhury | Dipankar Mandal
Source: Langmuir (article, 2024-04-16)
Field: Materials Science — Materials Chemistry

On-Demand MXene-Coupled Pyroelectricity for Advanced Breathing Sensors and IR Data Receivers MXene-inspired two-dimensional (2D) materials like Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> are widely known for their versatile properties, including surface plasmon, higher electrical conductivity, exceptional in-plane tensile strength, EMI shielding, and IR thermal properties. The MXene nanosheets coupled poly(vinylidene fluoride) (PVDF) nanofibers with <i>d</i><sub>33</sub> ∼-26 pm V<sup>-1</sup> are able to capture the smaller thermal fluctuation due to a superior pyroelectric coefficient of ∼130 nC m<sup>-2</sup> K<sup>-1</sup> with an improved (∼7 times with respect to neat PVDF nanofibers) pyroelectric current figure of merit (FOM<sub>i</sub>). The significant enhancement of the pyroelectric response is attributed to the confinement effect of 2D MXene (Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub>) nanosheets within PVDF nanofibers, as evidenced from polarized Fourier transform infrared (FTIR) spectroscopy and scanning probe microscopy (SPM). In subsequent studies, the practical applications of self-powered pyroelectric sensors of MXene-PVDF have been demonstrated. The fabricated flexible, hydrophobic pyroelectric sensor could be utilized as an excellent pyroelectric breathing sensor, a proximity sensor, and an IR data transmission receiver. Further, supervised machine learning algorithms are proposed to distinguish different types of breathing signals with ∼98% accuracy for healthcare monitoring purposes. Pyroelectricity ; Materials science ; Optoelectronics ; Nanofiber ; Nanotechnology ; Ferroelectricity MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Energy Harvesting in Wireless Networks
Authors: Zhaosheng Zhang | Yingjie Zhang | Sijia Liu
Source: Computational Materials Science (article, 2024-02-19)
Field: Materials Science — Materials Chemistry

Integrative approach of machine learning and symbolic regression for stability prediction of multicomponent perovskite oxides and high-throughput screening Stability (learning theory) ; Throughput ; Perovskite (structure) ; Computer science ; Materials science ; Symbolic regression ; Regression ; Artificial intelligence ; Machine learning ; Chemical engineering ; Engineering ; Mathematics ; Statistics Machine Learning in Materials Science ; Advancements in Solid Oxide Fuel Cells ; Perovskite Materials and Applications
Authors: Lucas T. Thobejane | Bonginkosi Thango
Source: Preprints.org (preprint, 2024-06-21)
Field: Materials Science — Materials Chemistry

Partial Discharge Source Classification in Power Transformers: A Systematic Literature Review Electric Transformers make up some of the most critical components of a power system. Their reliable operation is critical for an efficient power grid as well as economic viability for the transformer operators and owners. Power transformers, like other High Voltage (HV) electrical equipment experience aging and insulation degradation due to chemical, mechanical and electrical forces during their operation. Partial Dischargers (PD) are localized electrical discharges that develop within insulation systems of HV electrical equipment such as transformers. In transformers, PD occurs in different forms and various locations and insulation both internal and external of the transformer. PD originates as small pulses but tends to increase in size and intensity which can result in complete insulation failure. Monitoring partial discharges has proven to provide valuable information on the state of the insulation systems of the power transformer, allowing transformer operators to make calculated decisions for the maintenance and life of plant plans. This systematic literature review aims to systematically examine the use of machine learning techniques in classifying PD in transformers to present a complete indicator to allow for future research in the field. The systematic review surveyed a total of 81 research literature published from 2010 to 2023 that fulfilled a specific methodology which was developed as part of this study. The results revealed that supervised learning has been the most widely used Artificial Intelligence (AI) algorithm utilized, primarily in the form of Support Vector Machine (SVM). Regarding PD, the survey revealed that most researchers tend to use numerous types of PD and compare them to one another. Furthermore, the use of artificial PD defect models to simulate the occurrence of PD is widely used versus the use of actual power transformers. Most of the literature tends to not specify the physical characteristics of PD, such as the magnitude of PD, PD inception voltage and PD extinction voltage. Partial discharge ; Transformer ; Systematic review ; Computer science ; Electrical engineering ; Engineering ; Political science ; Voltage ; MEDLINE High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Plasma Diagnostics and Applications
Authors: Katsuhiko Ariga
Source: Materials (article, 2024-01-04)
Field: Chemistry — Organic Chemistry

Materials Nanoarchitectonics at Dynamic Interfaces: Structure Formation and Functional Manipulation The next step in nanotechnology is to establish a methodology to assemble new functional materials based on the knowledge of nanotechnology. This task is undertaken by nanoarchitectonics. In nanoarchitectonics, we architect functional material systems from nanounits such as atoms, molecules, and nanomaterials. In terms of the hierarchy of the structure and the harmonization of the function, the material created by nanoarchitectonics has similar characteristics to the organization of the functional structure in biosystems. Looking at actual biofunctional systems, dynamic properties and interfacial environments are key. In other words, nanoarchitectonics at dynamic interfaces is important for the production of bio-like highly functional materials systems. In this review paper, nanoarchitectonics at dynamic interfaces will be discussed, looking at recent typical examples. In particular, the basic topics of "molecular manipulation, arrangement, and assembly" and "material production" will be discussed in the first two sections. Then, in the following section, "fullerene assembly: from zero-dimensional unit to advanced materials", we will discuss how various functional structures can be created from the very basic nanounit, the fullerene. The above examples demonstrate the versatile possibilities of architectonics at dynamic interfaces. In the last section, these tendencies will be summarized, and future directions will be discussed. Nanotechnology ; Computer science ; Materials science Fullerene Chemistry and Applications ; Supramolecular Self-Assembly in Materials ; Graphene and Nanomaterials Applications
Authors: Wei Zhou | Wei Deng | Xing Lü
Source: Interdisciplinary materials (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Metallosalen covalent organic frameworks for heterogeneous catalysis Abstract Metallosalen covalent organic frameworks (M(salen)‐COFs) have garnered significant attention as promising candidates for advanced heterogeneous catalysis, including organocatalysis, electrocatalysis, and photocatalysis, due to their unique structural advantages (combining molecules catalysts and crystalline porous materials) and tunable topological network. It is essential to provide a comprehensive overview of emerging designs of M(salen)‐COFs and corresponding advances in this field. Herein, this review first summarizes the reported metallolinkers and the synthesis methods of M(salen)‐COFs. In addition, the review enumerates the excellent M(salen)‐COF based heterogeneous catalysts and discusses the fundamental mechanisms behind the outstanding heterogeneous catalytic performance of M(salen)‐COFs. These mechanisms include the pore enrichment effect (enhancing local concentration within porous materials to promote catalytic reactions), the three‐in‐one strategy (integrating enrichment, reduction, and oxidation sites in one system), and the incorporation of a built‐in electric field (implanting a built‐in electric field in heterometallic phthalocyanine covalent organic frameworks). Furthermore, this review discusses the challenges and prospects related to M(salen)‐COFs in heterogeneous catalysis. Catalysis ; Covalent bond ; Heterogeneous catalysis ; Nanotechnology ; Electrocatalyst ; Photocatalysis ; Materials science ; Covalent organic framework ; Porosity ; Chemistry ; Combinatorial chemistry ; Organic chemistry ; Electrode ; Electrochemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques
Authors: Piyush Chandra Verma | Sunil Kumar Tiwari | Ashish Saurabh | Abhinav Manoj
Source: Ceramics (article, 2024-09-30)
Field: Materials Science — Materials Chemistry

Recent Advances in High-Entropy Ceramics: Synthesis Methods, Properties, and Emerging Applications High-entropy ceramics (HECs) represent an emerging class of materials composed of at least five different cations or anions in near-equiatomic proportions, garnering significant attention due to their extraordinary functional and structural properties. While multi-component ceramics have played a crucial role for many years, the concept of high-entropy materials was first introduced eighteen years ago with the synthesis of high-entropy alloys, and the first high-entropy nitride films were reported in 2014. These newly developed materials exhibit superior properties over traditional ceramics, such as enhanced thermal stability, hardness, and chemical resistance, making them suitable for a wide range of applications. High-entropy carbides, borides, oxides, oxi-carbides, oxi-borides, and other systems fall within the HEC category, typically occupying unique positions within phase diagrams that lead to novel properties. HECs are particularly well suited for high-temperature coatings, for tribological applications where low thermal conductivity and similar heat coefficients are critical, as well as for energy storage and dielectric uses. Computational tools like CALPHAD streamline the element selection process for designing HECs, while innovative, energy-efficient synthesis methods are being explored for producing dense specimens. This paper provides an in-depth analysis of the current state of the compositional design, the fabrication techniques, and the diverse applications of HECs, emphasizing their transformative potential in various industrial domains. Ceramic ; High entropy alloys ; Materials science ; Nanotechnology ; Computer science ; Metallurgy ; Microstructure Ferroelectric and Piezoelectric Materials ; Advanced materials and composites ; High-pressure geophysics and materials
Authors: Khezina Rafiq | Kashaf Ul Sahar | Muhammad Zeeshan Abid | Saira Attique | U. Rehman | Abdur Rauf | Ejaz Hussain
Source: Energy Advances (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Promoting water-splitting reaction on TiO<sub>2</sub>/gCN with Pd/SrO cocatalysts: H<sub>2</sub> evolution in the absence of a sacrificial reagent This study investigates Pd–SrO@TiO 2 /gCN photocatalysts for eco-friendly H 2 generation through water splitting. Reagent ; Water splitting ; Chemistry ; Materials science ; Photochemistry ; Chemical engineering ; Nanotechnology ; Inorganic chemistry ; Photocatalysis ; Catalysis ; Biochemistry ; Physical chemistry Nanomaterials for catalytic reactions ; Ammonia Synthesis and Nitrogen Reduction ; Asymmetric Hydrogenation and Catalysis
Authors: Jie Zhang | Dawei Yang | Canhuang Li | Qianhong Gong | Wei Bi | Xuejiao Zheng | Jordi Arbiol | Shengjun Li | Andreu Cabot
Source: Nano Letters (article, 2024-06-17)
Field: Materials Science — Materials Chemistry

Two-Dimensional Transition Metal Phosphides As Cathode Additive in Robust Lithium–Sulfur Batteries The development of advanced cathode materials able to promote the sluggish redox kinetics of polysulfides is crucial to bringing lithium-sulfur batteries to the market. Herein, two electrode materials: namely, Zr<sub>2</sub>PS<sub>2</sub> and Zr<sub>2</sub>PTe<sub>2</sub>, are identified through screening several hundred thousand compositions in the Inorganic Crystal Structure Database. First-principles calculations are performed on these two materials. These structures are similar to that of the classical MXenes. Concurrently, calculations show that Zr<sub>2</sub>PS<sub>2</sub> and Zr<sub>2</sub>PTe<sub>2</sub> possess high electrical conductivity, promote Li ion diffusion, and have excellent electrocatalytic activity for the Li-S reaction and particularly for the Li<sub>2</sub>S decomposition. Besides, the mechanisms behind the excellent predicted performance of Zr<sub>2</sub>PS<sub>2</sub> and Zr<sub>2</sub>PTe<sub>2</sub> are elucidated through electron localization function, charge density difference, and localized orbital locator. This work not only identifies two candidate sulfur cathode additives but may also serve as a reference for the identification of additional electrode materials in new generations of batteries, particularly in sulfur cathodes. Cathode ; Sulfur ; MXenes ; Lithium (medication) ; Transition metal ; Chemistry ; Electrode ; Redox ; Inorganic chemistry ; Materials science ; Nanotechnology ; Physical chemistry ; Catalysis MXene and MAX Phase Materials ; Advanced Battery Materials and Technologies ; Inorganic Chemistry and Materials
Authors: Shengyu Du | Pengfei Zhang
Source: AIChE Journal (article, 2024-05-07)
Field: Materials Science — Materials Chemistry

Enhancing sulfur resistance of oxides in carbon monoxide oxidation by a high‐entropy‐stabilized strategy Abstract Industrial chemical processes require sulfur‐resistant catalysts, which reduce catalyst replacement costs and simplify process operations. Herein, a high‐entropy‐stabilized strategy was put forward for sulfur‐resistant catalysis. A spinel high entropy (Zn 0.2 Mg 0.2 Cu 0.2 Mn 0.2 Co 0.2 Al 2 O 4 ) was introduced by ball milling process with aluminum isopropoxide as the main precursor. Zn 0.2 Mg 0.2 Cu 0.2 Mn 0.2 Co 0.2 Al 2 O 4 possessed a high surface area of 171.2 m 2 g −1 , higher than typical high‐entropy oxides (HEOs). The high‐entropy spinel catalyst exhibited better SO 2 ‐resistance performance in the oxidation of carbon monoxide, better than the simple oxides. The SO 2 ‐resistance of Zn 0.2 Mg 0.2 Cu 0.2 Mn 0.2 Co 0.2 Al 2 O 4 was primarily improved by reinforcing the stability of the oxide using a high‐entropy structure to decrease the absorption of SO 2 on its surface. Any adsorbed SO 2 on the surface of the HEO was then selectively trapped by sacrificial metal ions with stronger electron‐withdrawing ability, protecting the active center (Cu 2+ , Co 2+ ) from poisoning. This work reveals the significance of high‐entropy structures in sulfur resistance. Carbon monoxide ; Sulfur ; Chemistry ; Chemical engineering ; Materials science ; Organic chemistry ; Catalysis ; Engineering Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Electrocatalysts for Energy Conversion
Authors: Ahmad Bagheri | Somayeh Taghavi | Sebastiano Bellani | Pejman Salimi | Hossein Beydaghi | Jaya‐Kumar Panda | Marilena Isabella Zappia | Valentina Mastronardi | Agnese Gamberini | Sanjay Thorat | Matteo Abruzzese | Lea Pasquale | Mirko Prato | Michela Signoretto | Xinliang Feng | Francesco Bonaccorso
Source: Chemical Engineering Journal (article, 2024-06-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Venice’s macroalgae-derived active material for aqueous, organic, and solid-state supercapacitors In this study, self-doped porous activated biochar derived from Venice lagoon’s Sargassum brown macroalgae (ABS) has been successfully prepared through thermochemical carbonization (pyrolysis) followed by CO2 physical activation and used as electrodes for supercapacitor (SC) applications. The ABS exhibits a remarkable specific surface area of 821 m2g–1 and heteroatoms (N, O, and S) doping, both key features to attain high-performance carbon-based SC electrodes. The electrochemical performances of ABS-based SCs were assessed in three different electrolytes. Two are aqueous (i.e., 1 M H2SO4 and 8 M NaNO3), while the third one is the prototypical organic, namely 1 M TEABF4 in acetonitrile. In these three electrolytes, the ABS-based electrodes exhibited specific capacitance values (Cg) of 109.5, 79.0, and 64.3Fg–1, respectively, at a current density of 0.1 Ag–1. The capacitive performance resulted in SC energy densities of 3.45 Wh kg−1 at 22.5 W kg−1, 6.3 Wh kg−1 at 36.1 W kg−1, and 12.4 Wh kg−1 at 57.4 W kg−1 and maximum power densities of 147, 222, and 378 kW kg−1 in the acidic, quasi-neutral aqueous electrolyte and organic electrolyte, respectively. The ABS electrodes were used to realize a flexible solid-state SC based on the sulfonated polyether ether ketone (SPEEK):functionalized niobium disulfide flakes (f-NbS2) composite membrane. The flexible solid-state SC displayed a remarkable 97% Cg retention even under various mechanical stresses, including bending up to 1000 times and folding angles up to 180°, while keeping a Coulombic efficiency above 98%. This study reveals ABS as a promising sustainable source of active materials for SCs. The remarkable performance of ABS-based SCs can be attributed to their multi-scale porosity, heteroatom doping, and enhanced surface wettability, providing abundant active sites for charge accumulation, and efficient electrolyte diffusion, thus highlighting its potential as a sustainable solution for energy storage applications. Supercapacitor ; Electrolyte ; Aqueous solution ; Materials science ; Electrochemistry ; Chemical engineering ; Carbonization ; Pyrolysis ; Electrode ; Chemistry ; Composite material ; Organic chemistry Supercapacitor Materials and Fabrication ; Advanced battery technologies research ; Advanced Battery Materials and Technologies