jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mohamed Zoughaib | Svetlana Avdokushina | Irina N. Savina
Source: Molecules (article, 2025-01-22)
Field: Materials Science — Materials Chemistry

MXene-Reinforced Composite Cryogel Scaffold for Neural Tissue Repair The development of effective materials for neural tissue repair remains a major challenge in regenerative medicine. In this study, we present a novel MXene-reinforced composite cryogel scaffold designed for neural tissue regeneration. MXenes, a class of two-dimensional materials with high conductivity and biocompatibility, were integrated into a polyvinyl alcohol (PVA) matrix via cryopolymerization to form a macroporous, mechanically stable scaffold. The morphology, mechanical properties, and swelling behavior of the cryogel with different MXene contents have been assessed. The effects of MXene on the viability/proliferation and differentiation of neural cells (PC-12) cultured in the composite cryogel were elucidated. The MXene/PVA cryogel demonstrated excellent cell-supporting potential, with MXene not only showing no toxicity but also promoting the proliferation of cultured PC-12. Additionally, MXene induced a neuritogenesis-like process in the cells as evidenced by morphological changes and the enhanced expression of the neural marker β-III-tubulin. The neuroprotective properties of the MXene component were revealed by the alleviation of oxidative stress and reduction of intracellular ROS levels. These findings highlight the potential of MXene-embedded PVA cryogel as a promising material that can be further used in conjunction with electrostimulation therapy for advancing strategies in neural tissue engineering. Biocompatibility ; Viability assay ; Scaffold ; Materials science ; MXenes ; Polyvinyl alcohol ; Regeneration (biology) ; Neuroprotection ; Tissue engineering ; Extracellular matrix ; Neural stem cell ; Composite number ; Neural tissue engineering ; Biomedical engineering ; Nanotechnology ; Chemistry ; Cell biology ; Cell ; Biochemistry ; Composite material ; Pharmacology ; Medicine ; Stem cell ; Biology MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications
Authors: Ju-Yeon Seo | Bahar Mostafiz | Xiaomin Tu | Constantine Y. Khripin | Ming Zheng | Han Li | Emilia Peltola
Source: Physical Chemistry Chemical Physics (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Single-chirality single-wall carbon nanotubes for electrochemical biosensing Single-wall carbon nanotubes (SWCNTs) exhibit versatile optoelectronic properties closely linked to their structural characteristics, such as chiral angles and diameters. Given this, they are promising materials for biosensors. However, in studies investigating SWCNT-based electrochemical biosensors, raw soot has been mostly used. Soot typically contains a mixture of different chiralities, metallic compounds, and various impurities from the synthesis process. As a result, this mixture significantly limits the reproducibility and precision of SWCNT-based sensors. To ensure consistent sensor performance, we employed an aqueous two-phase extraction (ATPE) technique to purify and sort single-chirality SWCNTs-specifically, semiconducting (6,5) SWCNTs and metallic (6,6) SWCNTs. In addition, we used multiple fabrication methods to ensure that only pure-chirality SWCNTs were deposited onto the electrodes. Our findings emphasise the importance of using surfactant-free systems when investigating the influence of chirality on the electrochemical behaviour of SWCNTs. By using monochiral SWCNTs, we achieved precise control over their concentration and density, allowing us to assess their electrochemical properties accurately. Our results reveal that the adsorption-controlled process of the inner sphere redox probe occurs on (6,5) SWCNTs, while a diffusion-controlled process is observed on (6,6) SWCNTs. These findings provide valuable insights that will enhance the performance of SWCNT-based electrochemical biosensors. Carbon nanotube ; Chirality (physics) ; Biosensor ; Nanotechnology ; Materials science ; Electrochemistry ; Carbon fibers ; Chemistry ; Electrode ; Physical chemistry ; Composite material ; Physics ; Composite number Carbon Nanotubes in Composites ; Molecular Junctions and Nanostructures ; Mechanical and Optical Resonators
Authors: Achref Chebil | Vincenzo Mazzaracchio | Leonardo Duranti | Ludovica Gullo | Fabiana Arduini
Source: Sensors and Actuators A Physical (article, 2025-07-30)
Field: Materials Science — Polymers and Plastics

Paper-based metal-air battery electrochemical sensor for smartphone-assisted oxygen monitoring in food packaging The monitoring of oxygen in food packaging during storage and transportation is crucial in food quality surveillance, warning users regarding food spoiling, happening through compound oxidation and aerobic microorganism proliferation. In this overall scenario, we report the development of a flexible, cost-effective, and Bluetooth-assisted electrochemical sensor for oxygen detection in food packaging. The device encompasses three layers, namely a zinc sheet as an anode, a conductive silver ink printed on an oriented polypropylene sheet serving as a cathode, and a deep eutectic solvent deposited on a paper-based substrate sandwiched between both electrodes. The sensing tool provided a wide linear range for oxygen detection up to 20.9 O 2 % v/v with good intra-electrode repeatability (RSD % = 0.02%). Finally, the developed device was integrated with a 3D printed holder and tested for oxygen detection in packages containing mushrooms, tomatoes, and broccoli samples, obtaining a good correlation with the reference method. This study opens noticeable possibilities for employing paper-based metal-air batteries in the detection of specific target analytes, by integrating paper substrate and metal-based batteries delivering smart and self-powered instruments as reliable and accurate analytical tools. • Metal-air battery electrochemical sensors for food quality monitoring. • Paper as a sustainable substrate for sensor fabrication. • Deep Eutectic Solvent used as green gel electrolyte. • Smartphone-assisted analytical platform for oxygen monitoring in food packaging. Battery (electricity) ; Oxygen sensor ; Automotive engineering ; Electrochemistry ; Electrochemical gas sensor ; Oxygen ; Active packaging ; Materials science ; Food packaging ; Environmental science ; Computer science ; Process engineering ; Engineering ; Chemistry ; Mechanical engineering ; Electrode Conducting polymers and applications ; Advanced Chemical Sensor Technologies ; Electrochemical sensors and biosensors
Authors: Christopher C. Price | Ichiro Takeuchi | James M. Rondinelli | Wei Chen | Christopher L. Hinkle
Source: Computer (article, 2025-01-29)
Field: Materials Science — Materials Chemistry

AI-Accelerated Electronic Materials Discovery and Development Recent advances in AI applied to high-throughput materials discovery, synthesis, and processing offer a pathway to accelerated breakthroughs and scaled optimization of advanced electronic materials for data-intensive computation. Computer science ; Data science Machine Learning in Materials Science
Authors: Zhipeng Guan | Hong Jiang
Source: The Journal of Chemical Physics (article, 2025-06-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Density-matrix embedding based multi-reference perturbation theory approach to single-ion magnets Multi-configurational wave-function theory (MC-WFT) that combines the complete active space self-consistent field (CASSCF) approach with subsequent state interaction treatment of spin-orbit coupling, abbreviated as CASSCF-SO, plays important roles in the microscopic understanding of single-ion magnets (SIMs) with different central transition metal or lanthanide ions and various coordination environments, but its application to SIMs with complex structures is severely limited due to its highly demanding computational cost. Density-matrix embedding theory (DMET) provides a systematic and mathematically rigorous framework to combine low-level mean-field approaches like Hartree-Fock and high-level MC-WFT methods like CASSCF-SO, which is particularly promising for SIMs. As a continuation of our previous work on DMET + CASSCF for 3d SIMs [Ai et al., J. Phys. Chem. Lett. 13, 10627 (2022)], we extend the methodology by considering dynamic correlation on top of CASSCF using the second-order n-electron valence perturbation theory (NEVPT2) in the DMET framework, abbreviated as DMET + NEVPT2, and benchmark the accuracy of this approach to molecular magnetic anisotropy in a set of typical transition metal complexes. We found that DMET + NEVPT2 can give results very close to all-electron treatment, and can be systematically improved for higher accuracy by expanding the region treated as the central cluster, while the computational cost is dramatically reduced due to the reduction of the number of orbitals by DMET construction. Our findings suggest that the dynamic correlation treated at the NEVPT2 level, which is important for magnetic anisotropy in typical SIMs, can be well described in the DMET framework, which can facilitate high-accuracy ab initio spin-phonon relaxation study and high-throughput computations. Magnet ; Embedding ; Ion ; Physics ; Perturbation theory (quantum mechanics) ; Mathematics ; Classical mechanics ; Computer science ; Quantum mechanics ; Artificial intelligence Magnetism in coordination complexes ; Advanced NMR Techniques and Applications ; Magnetic properties of thin films
Authors: Pinaki Sengupta | Emma Salisbury | Anil Kumar | Tanja Junkers | Neil R. Cameron
Source: RSC Applied Polymers (article, 2025-01-01)
Field: Materials Science — Biomaterials

Production of gelatin methacrylate by flow chemistry and investigation of its suitability as a biomaterial Gelatin methacrylate suitable for bioprinting and tissue engineering is produced using an optimized and scaleable flow chemistry process. Biomaterial ; Gelatin ; Methacrylate ; Polymer science ; Chemistry ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Engineering ; Polymer ; Polymerization Collagen: Extraction and Characterization
Authors: Jian Song | Hengtao Lei | Lin Lin | Mengxiao Sun | Xueyan Han | Zilong Dou | Yuyang Tian | Guangshan Zhu
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Continuous porous aromatic framework membranes with acid-/base-induced reversible isomerization for switchable ion conductivity Stimuli-responsive ion conductor materials are highly sought after in the fields of biological systems, clean energy, and smart devices. However, it remains a huge challenge to achieve acid/base switchable ion conductors owing to their stringent requirements of structural responsive behaviors, high stability and porosity. In this study, porous aromatic frameworks (PAFs) are utilized as a favorable platform to successfully design and prepare ion conductive powders and its continuous membranes based on a commercially available pH indicator. Interestingly, these PAFs possessed structural reversibility in response to acidic and alkaline environments, followed by an apparent ion-conducting switch of about 4 orders of magnitude (from 3.36 × 10<sup>-7</sup> S cm<sup>-1</sup> to 4.59 × 10<sup>-3</sup> S cm<sup>-1</sup>) under the conditions of 25 °C and 98% RH. Moreover, the continuous PAF membrane exhibited an ultrahigh ion conductivity of 7.29 × 10<sup>-1</sup> S cm<sup>-1</sup> after 1 mol per L NaOH treatment and good acid/base switchable cycle stability. To our knowledge, this is the first report on exploring ion-conductive porous frameworks and continuous membranes that dynamically respond to acid/base chemical stimuli. This work provides a new research strategy for the application of ion conductors as so-called "smart materials" even in extremely harsh chemical environments. Isomerization ; Conductivity ; Membrane ; Porosity ; Ion ; Base (topology) ; Chemistry ; Acid–base reaction ; Chemical engineering ; Materials science ; Organic chemistry ; Catalysis ; Physical chemistry ; Biochemistry Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: T.A. Nadzharyan | Elena Yu. Kramarenko
Source: Polymers (article, 2025-01-03)
Field: Materials Science — Polymers and Plastics

The Effect of Particle–Matrix Interface on the Local Mechanical Properties of Filled Polymer Composites: Simulations and Theoretical Analysis A finite element model of the local mechanical response of a filled polymer composite to uniaxial compression is presented. The interfacial layer between filler particles and polymer matrix is explicitly modeled as a third phase of the composite. Unit cells containing one or several anisometric filler particles surrounded by interface shells are considered. The dependence of the mechanical response of the cells to external deformation on the interface thickness and stiffness is studied. The use of the particle-matrix interface as a damping tool in mesoscopic polymer-composite problems with large deformations is discussed. The influence of the interface on the anisotropy of the composite response is considered. Materials science ; Composite material ; Composite number ; Mesoscopic physics ; Stiffness ; Polymer ; Particle (ecology) ; Deformation (meteorology) ; Anisotropy ; Matrix (chemical analysis) ; Compression (physics) ; Finite element method ; Phase (matter) ; Structural engineering Polymer Nanocomposites and Properties ; Elasticity and Wave Propagation ; Composite Material Mechanics
Authors: Ganji Seeta Rama Raju | Lintymol Antony | P. Balaji Bhargav | Seho Yi | Ali Mohammadi | Kugalur Shanmugam Ranjith | E. Pavitra | Jae Su Yu | Yun Suk Huh | Young‐Kyu Han
Source: Advanced Composites and Hybrid Materials (article, 2025-11-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

All-pseudocapacitive heterostructured integrated electrode with dual redox mechanisms for high-performance aqueous supercapacitors Current research on supercapacitors focuses on achieving high specific energy by expanding the voltage window and improving specific capacitance through advanced electrode design. This study presents a new type of pseudocapacitive integrated electrode developed by decorating α-Fe2O3 nanoparticles onto NH4V3O8 multiwalled nanotubes using a simple and efficient method. α-Fe2O3 stores energy through conversion reactions, while NH4V3O8 facilitates intercalation-based storage. The difference in work function between α-Fe2O3 nanoparticles and NH4V3O8 multiwalled nanotubes generates a built-in electric field at the heterointerface, as confirmed by density functional theory calculations. This built-in electric field enables simultaneous operation at both positive and negative potentials, thereby supporting sulfate ion conversion and sodium ion intercalation. These mechanisms are validated by in situ Raman and ex situ X-ray photoelectron spectroscopy analyses. Owing to the coexistence of multiple energy storage mechanisms and the presence of a built-in electric field, the assembled full cell delivers a high specific energy (79 Wh/kg), specific power (5996 W/kg), and a broad voltage window of 2.2 V. These findings emphasize the effectiveness of the integrated electrode design and represent a significant advancement toward realizing next-generation energy storage technologies for a wide array of applications, ranging from portable electronics to expansive renewable power infrastructures. Supercapacitor ; Energy storage ; Electrode ; Capacitance ; Raman spectroscopy ; Nanoparticle ; Electrolyte ; X-ray photoelectron spectroscopy ; Power density Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Microbial Fuel Cells and Bioremediation
Authors: Xiujun Fan | Songyue Chen | Farid Manshaii | Zhaoqi Duan | Guorui Chen | Xun Zhao | Yihao Zhou | Jun Chen
Source: Advanced Functional Materials (article, 2025-03-25)
Field: Materials Science — Materials Chemistry

Advances in Soft Mechanocaloric Materials The development of soft mechanocaloric materials is becoming increasingly important due to the growing demand for energy-efficient and environmentally friendly thermoregulation solutions. Here the mechanocaloric effects in soft materials, which can convert mechanical energy into heat energy, is discussed, and their applications in sensing, therapeutics, and thermoregulation is explored. It begins by introducing the principles of the mechanocaloric effect and recent advances in its study within soft materials' systems. Then applications of mechanocaloric effects in personalized healthcare and sustainable energy is explored. Finally, the importance of identifying soft materials with high mechanocaloric coefficients and low manufacturing costs is emphasized to broaden their applicability. Additionally, a comprehensive perspective on mechanocaloric effects is provided for both heating and cooling applications, emphasizing the transformative potential of soft mechanocaloric materials in various fields. Materials science ; Nanotechnology Shape Memory Alloy Transformations ; Ferroelectric and Piezoelectric Materials ; Magnetic and transport properties of perovskites and related materials
Authors: Zixin Li | Yao Hu | Haihui Lan | Huicong Xia
Source: Molecules (review, 2025-07-01)
Field: Materials Science — Materials Chemistry

Unlocking the Potential of MBenes in Li/Na-Ion Batteries MBenes, an emerging family of two-dimensional transition metal boride materials, are gaining prominence in alkali metal-ion battery research owing to their distinctive stratified architecture, enhanced charge transport properties, and exceptional electrochemical durability. This analysis provides a comprehensive examination of morphological characteristics and fabrication protocols for MBenes, with particular focus on strategies for optimizing energy storage metrics through controlled adjustment of interlayer distance and tailored surface modifications. The discussion highlights these materials' unique capability to host substantial alkali metal ions, translating to exceptional longevity during charge-discharge cycling and remarkable high-current performance in both lithium and sodium battery systems. Current obstacles to materials development are critically evaluated, encompassing precision control in nanoscale synthesis, reproducibility in large-scale production, enhancement of thermodynamic stability, and eco-friendly processing requirements. Prospective research pathways are proposed, including sustainable manufacturing innovations, atomic-level structural tailoring through computational modeling, and expansion into hybrid energy storage-conversion platforms. By integrating fundamental material science principles with practical engineering considerations, this work seeks to establish actionable frameworks for advancing MBene-based technologies toward next-generation electrochemical storage solutions with enhanced energy density and operational reliability. Ion ; Chemistry ; Materials science ; Nanotechnology ; Organic chemistry MXene and MAX Phase Materials ; Advancements in Battery Materials ; Graphene research and applications
Authors: Matt P. Ashworth | Daryl W. Lam | Martín López‐García | Schonna R. Manning | Johannes W. Goessling
Source: Scientific Reports (article, 2025-02-21)
Field: Materials Science — Biomaterials

Adaptive evolution and early diversification of photonic nanomaterials in marine diatoms The discovery of natural slab photonic crystals in diatoms has sparked questions regarding their prevalence and functional role in nature. These advanced nanomaterials open so-called photonic stopbands in two dimensions, enabling precise light manipulation essential in technologies like quantum computing and photonics. However, the natural role of these advanced properties remains a mystery. In this study, we adopted a multidisciplinary approach, combining taxonomic, evolutionary, and photonic property analyses. Using scanning electron micrographs, we examined the girdle elements of the silicon dioxide shell from several hundred diatom species to explore the potential correlation between occurrence of slab photonic crystals and taxonomic relationship. Girdle slab photonic crystals emerged among the oldest diatom classes, with stopband properties covering the visible to mid-infrared spectral range. Square lattice formations emerged first, evolving from quasi-ordered templates, and later diverged into more efficiently packed hexagonal structures. This study shows how photonic nanomaterials developed from quasi order to order over evolutionary trajectories and provides a sustainable inventory of natural slab photonic crystals for application and deeper investigation. Understanding how diatoms utilize these structures can inspire innovative principles for smarter energy management systems as well serve as a model for the evolution of order and symmetry in cellular processes and organization. Photonics ; Photonic crystal ; Diatom ; Frustule ; Nanomaterials ; Nanotechnology ; Slab ; Materials science ; Evolutionary biology ; Biology ; Ecology ; Optoelectronics ; Paleontology Diatoms and Algae Research ; Microbial Community Ecology and Physiology ; Marine and coastal ecosystems
Authors: Abeer Fahes | Lavinia Balan | C. Andreazza‐Vignolle | Claudia de Melo | Didier Zanghi | Pascal Andreazza
Source: Nanoscale Advances (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Polymer/AgPt bimetallic nanoparticle synergy: optimizing plasmonic durability through controlled synthesis and matrix integration An innovative approach combining UV-induced polymerization and ultra-high vacuum (UHV) atomic vapor deposition was developed to synthesize and disperse 2-3 nm AgPt bimetallic nanoparticles (BNPs) within a non-porous poly (dipropylene glycol diacrylate) (PDGDA) matrix, surpassing conventional porous polymer strategies. This method offers unprecedented control over the structural properties of BNPs and in general nanoalloys, with the polymer matrix playing a critical role in regulating nanoparticle formation, spatial arrangement, and size uniformity. The PDGDA matrix enhances nanoparticle stability through steric stabilization and controlled diffusion, effectively maintaining small nanoparticle sizes (∼2.4-2.8 nm) and low dispersity (<i>σ</i> <sub>D</sub>/<i>D</i> = 0.16) during extended high-temperature annealing. Confinement of nanoparticles (NPs) was significantly accelerated by successive thermal annealing to 320 °C, which increased polymer chain mobility and reduced viscosity, enabling rapid diffusion while preserving the structural integrity of the polymer matrix. This process dramatically reduced the embedding time from 12 days at room temperature to near-instantaneous incorporation upon heating. Successful confinement is attributed to key thermodynamic factors that promote interfacial interactions and particle mobility within the polymer network. Experimental results reveal distinctive UV plasmonic properties of the embedded AgPt BNPs with long-term stability. The produced AgPt BNPs exhibit significantly stronger localized surface plasmon resonances (LSPRs) than pure platinum nanoparticles, attributed to synergistic effects between the two metals. Factors contributing to this enhancement include silver's high electrical conductivity and relatively low optical losses, electromagnetic coupling, and localized electric field enhancement, highlighting the potential of these BNPs for advanced plasmonics. This research addresses the growing demand for surface-enhanced Raman scattering (SERS) detection of UV-absorbing biospecies and the development of more efficient broad-spectrum solar cells. Bimetallic strip ; Durability ; Nanoparticle ; Materials science ; Polymer ; Matrix (chemical analysis) ; Plasmon ; Nanotechnology ; Composite material ; Metallurgy ; Optoelectronics ; Metal Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticles: synthesis and applications ; Nanomaterials for catalytic reactions