jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xuyan Li | Qingshan Liu | Menglin Wu | Hao Wang | Yang Jiang | Xiaoyu Mu | Xiaodong Zhang
Source: Advanced Healthcare Materials (review, 2024-11-19)
Field: Materials Science — Materials Chemistry

Artificially Engineered Nanoprobes for Ultrasensitive Magnetic Resonance Imaging Magnetic resonance imaging (MRI) is a noninvasive and radiation-free technique used for soft tissue. However, there are some limitations of the MRI modality, such as low sensitivity and poor image resolution. Artificially engineered magnetic nanoprobes have been extensively explored as a versatile platform for ultrasensitive MRI contrast agents due to their unique physiochemical characteristics and tunable magnetic properties. In this review, the emphasis is on recent progress in MRI nanoprobes with different structures and elements, including gadolinium-, iron-, manganese-based and metal-free nanoprobes. The key influencing factors and advanced engineering strategies for modulating the relaxation ratio of MRI nanoprobes are systematically condensed. Furthermore, the widespread and noninvasive visualization applications of MRI nanoprobes for real time monitoring of major organs and accurate disease diagnosing, such as cerebrovascular, ischemia, Alzheimer's disease, liver fibrosis, whole-body tumors, inflammation, as well as multi-mode imaging applications are summarized. Finally, the challenges and prospects for the future development of MRI nanoprobes are discussed, and promising strategies are specifically emphasized for improving biocompatibility, precisely engineering of optimal size, AI-driven prediction and design, and multifunctional self-assembly to enhance diagnostics. This review will provide new inspiration for artificial engineering and nanotechnology-based molecular probes for medical diagnosis and therapy with ultrasensitive MRI. Magnetic resonance imaging ; Materials science ; Nanotechnology ; Biomedical engineering ; Biocompatibility ; Medical imaging ; Computer science ; Medicine ; Radiology ; Artificial intelligence Lanthanide and Transition Metal Complexes ; Nanocluster Synthesis and Applications ; Nanoplatforms for cancer theranostics
Authors: Andrew N. Okafor | W. A. Shelton | Ye Xu
Source: The Journal of Physical Chemistry C (article, 2024-06-29)
Field: Materials Science — Materials Chemistry

Hydrogen Adsorption on Ordered and Disordered Pt–Fe and Pt–Co Alloys The bulk properties and surface chemical reactivity of compositionally disordered Pt-Fe and Pt-Co alloys in the <i>fcc</i> A1 phase have been investigated theoretically in comparison to the ordered alloys of the same compositions. The results are analyzed together with our previously reported findings for Pt-Ni. Nonlinear variation is observed in lattice constant, d band center, magnetic moment, and hydrogen adsorption energy across the composition range (0-100 atomic % of Pt, <i>x</i> <sub>Pt</sub>). The Pt 5d states are strongly perturbed by the 3d states of the base metals, leading to notable density of states above the Fermi level and residual magnetic moments at high <i>x</i> <sub>Pt</sub>. Surface reactivity in terms of average H adsorption energy varies continuously with composition between the monometallic Fe-Pt and Co-Pt limits, going through a maximum around <i>x</i> <sub>Pt</sub> = 0.5-0.75. Close inspection reveals a significant variation in site reactivity at <i>x</i> <sub>Pt</sub> < 0.75, particularly with disordered Pt-Fe alloys due in part to the inherent disparity in chemical reactivity between Fe and Pt. Furthermore, the strong interaction between Fe and Pt causes Pt-rich sites to be less reactive toward H than Pt-rich sites on disordered Pt-Ni alloy surfaces, despite less compressive strain caused. These results provide theoretical underpinnings for conceptualizing and understanding the performance of these Pt-base metal alloys in key catalytic applications and for efforts to tailor Pt-alloys as catalysts. Materials science ; Hydrogen ; Reactivity (psychology) ; Adsorption ; Crystallography ; Physical chemistry ; Chemistry Hydrogen Storage and Materials ; Advanced Materials Characterization Techniques ; Nuclear Materials and Properties
Authors: Longfei Yan | Guoyu Wang | Dongsheng Xiang | Yu Zhang | Weiping Deng
Source: Carbon Neutrality (article, 2024-08-20)
Field: Chemistry — Inorganic Chemistry

Reductive amination of bio-platform molecules to nitrogen-containing chemicals Abstract Catalytic transformation of renewable biomass into value-added chemicals is an appealing strategy to upgrade biomass resources. Due to the presence of abundant oxygen-containing groups such as hydroxyl and aldehyde, biomass and its derived platform molecules have been served as ideal starting feedstock to synthesize valuable N-containing chemicals through reductive amination. In this mini review, we overviewed the recent advances in the reductive amination of several key bio-platform molecules including hydroxyl carboxylic acids, furfural, 5-hydroxylmethyl furfural and levulinic acid, with a focus on the production of amino acids, furan amines and pyrrolidones using thermocatalysis, electrocatalysis or photocatalysis. Moreover, the functions of active sites and the reaction mechanisms in different catalytic systems are discussed to get insights into the key factors in the reductive amination of biomass resources. Reductive amination ; Amination ; Nitrogen ; Molecule ; Combinatorial chemistry ; Chemistry ; Organic chemistry ; Nanotechnology ; Materials science ; Environmental chemistry ; Chemical engineering ; Engineering ; Catalysis Asymmetric Hydrogenation and Catalysis ; Catalysis for Biomass Conversion ; Enzyme Catalysis and Immobilization
Authors: Angelica Giovagnoli | Giada D’Altri | Lamyea Yeasmin | Valentina Di Matteo | Stefano Scurti | Maria Francesca Di Filippo | Isacco Gualandi | Maria Cristina Cassani | Daniele Caretti | Silvia Panzavolta | Maria Letizia Focarete | M. Rea | Barbara Ballarin
Source: Gels (article, 2024-07-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multi-Layer PVA-PANI Conductive Hydrogel for Symmetrical Supercapacitors: Preparation and Characterization This work describes a simple, inexpensive, and robust method to prepare a flexible "all in one" integrated hydrogel supercapacitors (HySCs). Preparing smart hydrogels with high electrical conductivity, ability to stretch significantly, and excellent mechanical properties is the last challenge for tailored wearable devices. In this paper, we employed a physical crosslinking process that involves consecutive freezing and thawing cycles to prepare a polyvinyl alcohol (PVA)-based hydrogel. Exploiting the self-healing properties of these materials, the assembly of the different layers of the HySCs has been performed. The ionic conductivity within the electrolyte layer arises from the inclusion of an H<sub>2</sub>SO<sub>4</sub> solution in the hydrogel network. Instead, the electronic conductivity is facilitated by the addition of the conductive polymer PANI-PAMPSA into the hydrogel layers. Electrochemical measures have highlighted newsworthy properties related to our HySCs, opening their use in wearable electronic applications. Materials science ; Supercapacitor ; Self-healing hydrogels ; Polyvinyl alcohol ; Conductivity ; Electrical conductor ; Electrolyte ; Nanotechnology ; Layer (electronics) ; Conductive polymer ; Polymer ; Chemical engineering ; Electrochemistry ; Composite material ; Electrode ; Polymer chemistry ; Chemistry Supercapacitor Materials and Fabrication ; Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Yuan Wang | Dizhe Wei | Yu Wang | Meng Wang | Wenlei Zhai
Source: Foods (review, 2024-12-20)
Field: Chemistry — Analytical Chemistry

Recent Progress of Molecularly Imprinted Technique for the Detection of Mycotoxins in Food Mycotoxins are a group of toxic metabolites produced by fungi that infect agricultural products. Consuming mycotoxin-contaminated foods and feeds can cause various adverse health effects in humans and animals. Therefore, developing rapid and sensitive analytical methods for detecting mycotoxins is an urgent task. The molecularly imprinted technique is an advanced analytical tool for the specific recognition and selective enrichment of target molecules. For the development of rapid detection methods for mycotoxins, synthesized molecularly imprinted polymers (MIPs) can serve as specific recognition elements. By integrating MIPs with various sensing platforms, such as solid-phase extraction, electrochemical sensors, fluorescence sensors, surface-enhanced Raman spectroscopy, and surface plasmonic resonance sensors, remarkable progress has been made in the detection of mycotoxins in foods. This review focuses on the advances in the application of MIPs for the rapid detection of various mycotoxins over the past five years. The development of new MIP synthesis methods is categorized and summarized. Moreover, the future potential of MIP-based methods for mycotoxin detection is also discussed and highlighted. Mycotoxin ; Molecularly imprinted polymer ; Nanotechnology ; Surface plasmon resonance ; Solid phase extraction ; Chemistry ; Materials science ; Biotechnology ; Extraction (chemistry) ; Chromatography ; Biology ; Nanoparticle ; Selectivity Analytical chemistry methods development ; Mycotoxins in Agriculture and Food ; Pesticide Residue Analysis and Safety
Authors: Suellen Rocha Vieira | Jania Betânia Alves da Silva | Luiggi Cavalcanti Pessôa | Renata Quartieri Nascimento | Karina Lizzeth Pedraza Galván | Carolina Oliveira de Souza | Lucas Guimarães Cardoso | Jamille Santos Santana | Denílson de Jesus Assis
Source: Heliyon (review, 2024-10-01)
Field: Materials Science — Biomaterials

Cellulose processing using ionic liquids: An analysis of patents and technological trends The production of cellulose derivatives using ionic liquid (IL) as solvents and catalysts has become prominent over the last few years, since the process eliminates the use of toxic substances. This study aimed to map and understand the trends in cellulose processing using ILs by a patent analytic approach and technology life cycle modeling. The documents were searched on the Espacenet® and Orbit® platforms.The majority of innovations have come from companies based in developed countries. The data fitted to the sigmoid BiDoseResp model and the life cycle S-curve showed a market in an early stage of maturity. This mapping brings information that subsidizes decision-making regarding investments, research, and innovations aimed at IL-mediated cellulose treatment. Potential markets mostly use ILs of the imidazolium family in polymer chemistry, machinery, and biotechnology technologies. However, medical and pharmaceutical technologies and microstructure and nanostructure applications are still emerging, fostering perspectives for innovation. Ionic liquid ; Cellulose ; Polymer science ; Patent analysis ; Biochemical engineering ; Process engineering ; Nanotechnology ; Chemical engineering ; Materials science ; Chemistry ; Engineering ; Data science ; Computer science ; Organic chemistry Advanced Cellulose Research Studies ; Catalysis for Biomass Conversion ; Lignin and Wood Chemistry
Authors: Issraa Shahine | Quentin Hatte | Maxime Harnois | Pierre‐Yves Tessier
Source: ACS Applied Electronic Materials (article, 2024-04-05)
Field: Materials Science — Materials Chemistry

Large Area Freestanding Au Nanoporous Ultrathin Films Transfer Printed on Bendable Substrates and 3D Surfaces for Flexible Electronics Conductive films based on metal nanomaterials have been studied as electrical interconnects for flexible electronics. Among them, freestanding ultrathin films are flexible, making them ideal candidates for integration onto 3D surfaces with complex shapes. Nevertheless, obtaining self-supported films of a few tens of nm with an area of several cm2 without breaking them is difficult. The solution proposed in this work is to get the films floating on the water surface before transferring them to 3D flexible surfaces by a water transfer printing process. Herein, we report the fabrication of stable and homogeneous Au nanoporous films with a thickness range of 6–60 nm and a floating surface area of several tens of cm2 on the water surface. The process combines Au and Cu magnetron sputtering deposition, Cu dealloying, and etching in acid vapor. We show that the transfer of such ultrathin films with a large area from the water surface onto the surface of flat flexible substrates or 3D surfaces is possible, maintaining conformability without significant electrical conductivity degradation. The thinnest films have a sheet resistance of about 10 Ω/□ with a transparency of about 50% at 550 nm. Because of their specific nanostructuration consisting of nanopores and interconnected nanoligaments, these films transferred to flexible flat surfaces can withstand bending for at least 3000 cycles with a curvature radius of 1 mm. Moreover, we show that a transfer of a design to a complex curved surface of 3D objects is possible using a 6 nm layer, whose role is to keep the geometry of the design during the transfer process. Materials science ; Nanoporous ; Flexible electronics ; Transfer printing ; Fabrication ; Nanotechnology ; Etching (microfabrication) ; Composite material ; Bend radius ; Nanomaterials ; Sputter deposition ; Sheet resistance ; Electrical conductor ; Thin film ; Layer (electronics) ; Optoelectronics ; Sputtering ; Bending Nanoporous metals and alloys ; Nanomaterials and Printing Technologies ; Advanced Materials and Mechanics
Authors: Yuta Shuseki | Shinji Kohara | Tomoaki Kaneko | Keitaro Sodeyama | Yohei Onodera | Chihiro Koyama | Atsunobu Masuno | Shunta Sasaki | Shohei Hatano | M. Shiga | Ippei Obayashi | Yasuaki Hiraoka | Junpei Okada | Akitoshi Mizuno | Yūki Watanabe | Yui Nakata | Koji Ohara | Motohiko Murakami | Matthew G. Tucker | Marshall McDonnell | Hirohisa Oda | Takehiko Ishikawa
Source: The Journal of Physical Chemistry A (article, 2024-01-18)
Field: Materials Science — Ceramics and Composites

Atomic and Electronic Structure in MgO–SiO<sub>2</sub> Understanding disordered structure is difficult due to insufficient information in experimental data. Here, we overcome this issue by using a combination of diffraction and simulation to investigate oxygen packing and network topology in glassy (<i>g</i>-) and liquid (<i>l</i>-) MgO-SiO<sub>2</sub> based on a comparison with the crystalline topology. We find that packing of oxygen atoms in Mg<sub>2</sub>SiO<sub>4</sub> is larger than that in MgSiO<sub>3</sub>, and that of the glasses is larger than that of the liquids. Moreover, topological analysis suggests that topological similarity between crystalline (<i>c</i>)- and <i>g</i>-(<i>l</i>-) Mg<sub>2</sub>SiO<sub>4</sub> is the signature of low glass-forming ability (GFA), and high GFA <i>g</i>-(<i>l-</i>) MgSiO<sub>3</sub> shows a unique glass topology, which is different from <i>c-</i>MgSiO<sub>3</sub>. We also find that the lowest unoccupied molecular orbital (LUMO) is a free electron-like state at a void site of magnesium atom arising from decreased oxygen coordination, which is far away from crystalline oxides in which LUMO is occupied by oxygen's 3<i>s</i> orbital state in <i>g</i>- and <i>l</i>-MgO-SiO<sub>2</sub>, suggesting that electronic structure does not play an important role to determine GFA. We finally concluded the GFA of MgO-SiO<sub>2</sub> binary is dominated by the atomic structure in terms of network topology. Topology (electrical circuits) ; HOMO/LUMO ; Atom (system on chip) ; Oxygen ; Oxygen atom ; Electronic structure ; Materials science ; Crystallography ; Chemical physics ; Chemistry ; Molecule ; Computational chemistry ; Computer science ; Organic chemistry Glass properties and applications ; Material Dynamics and Properties ; Advanced Condensed Matter Physics
Authors: Yuanhe Wang | Nana Shen | Zhongze Zhu | Jiarui Liu | Xiaoying Qi | Zhong Liu | Youfu Zhu | Xiaoxiong Wang | Yun‐Ze Long | Hongfei Xiang
Source: Advanced Composites and Hybrid Materials (article, 2024-12-20)
Field: Materials Science — Biomaterials

Electrospun 3D nanofibrous materials and their applications in orthopaedics Advancing modern technology has propelled biomedicine and materials science to the forefront of scientific interest. As modern science evolves, it demands greater synergy between disciplines. In the realm of orthopaedics, the complex architecture of bone necessitates implants that balance strength with porosity. This dual requirement beckons a profound grasp that spans the realms of biomedicine and materials science, urging a deep dive into both fields to craft the perfect synergy for bone implant materials. Journeying through materials and orthopaedic science, this article systematically discussed the preparation of 3D porous structures by electrospinning technology for orthopaedics. It began by detailing electrospinning techniques, their principles, processes, materials, and design strategies within materials science. Material characterization methods were then presented. In biomedicine, we offered a concise overview of standard testing methods, from cell viability to staining. Building on the foundational knowledge of both fields, it reviewed 3D electrospinning strategies and summarized recent research progress in bone tissue culture with this method. This review sought to offer a structured comprehension of the intersecting disciplines to researchers, establishing a robust basis for material innovation tailored to orthopaedic-specific demands. Materials science ; Electrospinning ; Nanotechnology ; Composite material ; Polymer Electrospun Nanofibers in Biomedical Applications ; Bone Tissue Engineering Materials ; Additive Manufacturing and 3D Printing Technologies
Authors: Syed Faizan | Sirajunisa Talath | Adil Farooq Wali | Umme Hani | Nazima Haider | Subhankar P. Mandal | B. R. Prashantha Kumar
Source: RSC Advances (article, 2024-01-01)
Field: Chemistry — Organic Chemistry

Anticancer potential of novel symmetrical and asymmetrical dihydropyridines against breast cancer <i>via</i> EGFR inhibition: molecular design, synthesis, analysis and screening A series of novel symmetrical and asymmetrical dihydropyridines (HD 1-15) were designed, subjected to <i>in silico</i> ADMET prediction, synthesized, analyzed by IR, NMR, Mass analytical techniques and evaluated against epidermal growth factor receptor (EGFR) as inhibitors against Breast cancer. The results of predicted ADMET studies demonstrated the drug-likeness properties of the reported compounds. The <i>in vitro</i> cytotoxicity assessment of the synthesized compounds revealed that all of them showed good activity (IC<sub>50</sub> ranging from 16.75 to 66.54 μM) towards MCF-7 breast cancer cells compared to the standard drug, Lapatinib (IC<sub>50</sub> = 2.02 μM). Among these, compounds HD-6, HD-7, and HD-8 displayed the most potent activity with IC<sub>50</sub> value of 21.26, 16.75, and 18.33 μM, respectively. Cytotoxicity of all compounds was tested on normal vero cells for comparison at different concentrations using the MTT assay. In addition to the MTT assay, the potent dihydropyridines derivatives were screened for EGFR<sup>wt</sup> kinase inhibition assay at concentrations ranging from 1 nM to 360 nM. Among the three compounds tested, HD-8 showed reasonably good inhibition with an IC<sub>50</sub> value of 15.90 ± 1.20 nM compared to a standard Lapatinib IC<sub>50</sub> value of 10.28 ± 1.01 nM. Based on the molecular docking study against EGFR, the most active derivatives HD-7 and HD-8 were docked against the active site of the protein and showed better binding affinity than the standard lapatinib. Additionally, molecular dynamics (MD) simulations were performed to explore the stability of the protein-ligand complex, its dynamic behavior, and the binding affinity. Lapatinib ; Chemistry ; IC50 ; Cytotoxicity ; MTT assay ; Epidermal growth factor receptor ; Stereochemistry ; Docking (animal) ; In vitro ; EGFR inhibitors ; MCF-7 ; Cancer cell ; Pharmacology ; Combinatorial chemistry ; Biochemistry ; Receptor ; Breast cancer ; Cancer ; Human breast ; Biology ; Medicine ; Trastuzumab Synthesis and biological activity ; Multicomponent Synthesis of Heterocycles ; Computational Drug Discovery Methods
Authors: Tiange Li | Tiantian Wu | Meiju Lu | Ning Li | Yan Ma | Lianjun Song | Xianqing Huang | Jiansheng Zhao | Tianlin Wang
Source: Food Chemistry X (article, 2024-09-16)
Field: Materials Science — Materials Chemistry

An intelligent device with double fluorescent carbon dots based on smartphone for visual and point-of-care testing of Copper(II) in water and food samples The excessive presence of Cu<sup>2+</sup> could be harmful to human health. Therefore, a ratiometric fluorescence sensor based on multicolor fluorescent carbon dots (CDs) was developed for Cu<sup>2+</sup> detection. The blue and yellow carbon dots (B-CDs/Y-CDs) were synthesized by one-step hydrothermal method. After adding Cu<sup>2+</sup>, it is captured by the amino groups of B-CDs to form complexes, resulting in a strong fluorescence quenching via photoinduced electron transfer (PET). Meanwhile, the amino groups from Y-CDs also binds with Cu<sup>2+</sup> that inhibit the internal PET thus enhancing the fluorescence of Y-CDs. The sensor has the merits in rapid, visual, and selective with a low limit of detection (LOD) at 2.29 nM. Furthermore, an intelligent device composed of portable optical detector and smartphone is constructed, which realizes the visual point-of-care testing (POCT) of Cu<sup>2+</sup> with a LOD of 7.51 nM. The strategy provides an accessible approach for monitoring heavy metal pollution and food safety. Copper ; Fluorescence ; Point-of-care testing ; Point of care ; Point (geometry) ; Carbon fibers ; Materials science ; Computer science ; Nanotechnology ; Metallurgy ; Optics ; Medicine ; Nursing ; Physics ; Composite material ; Pathology ; Mathematics Carbon and Quantum Dots Applications ; Advanced biosensing and bioanalysis techniques ; Advanced Nanomaterials in Catalysis