jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: J. Fitzpatrick | Yury Gogotsi
Source: MRS Bulletin (review, 2025-09-10)
Field: Materials Science — Materials Chemistry

MXene polymer composites: A review Abstract Since their discovery, MXenes have become a focal point in the development of advanced nanomaterials, offering a unique combination of electrical conductivity, surface functionality, and processability. Their integration with polymers has opened new avenues for creating multifunctional composites with applications spanning electronics, communication, energy, healthcare, structural, and environmental technologies. This article examines how processing strategies, interfacial design, and material selection have shaped their performance and versatility. Emphasis is placed on current capabilities and challenges that must be addressed to realize their full potential. The field is poised to expand into new material systems, scalable fabrication methods, and adaptive, intelligent functions that could define the next generation of soft and structural materials. Graphical abstract MXenes ; Fabrication ; Scalability ; Material selection ; Polymer ; Field (mathematics) MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Advanced Memory and Neural Computing
Authors: Qingsi Lai | Fanjie Xu | Lin Yao | Zhifeng Gao | Siyuan Liu | Hongshuai Wang | Shuqi Lu | Di He | Liwei Wang | Linfeng Zhang | Cheng Wang | Guolin Ke
Source: Advanced Science (article, 2025-01-04)
Field: Materials Science — Materials Chemistry

End‐to‐End Crystal Structure Prediction from Powder X‐Ray Diffraction Powder X-ray diffraction (PXRD) is a prevalent technique in materials characterization. While the analysis of PXRD often requires extensive human manual intervention, and most automated method only achieved at coarse-grained level. The more difficult and important task of fine-grained crystal structure prediction from PXRD remains unaddressed. This study introduces XtalNet, the first equivariant deep generative model for end-to-end crystal structure prediction from PXRD. Unlike previous crystal structure prediction methods that rely solely on composition, XtalNet leverages PXRD as an additional condition, eliminating ambiguity and enabling the generation of complex organic structures with up to 400 atoms in the unit cell. XtalNet comprises two modules: a Contrastive PXRD-Crystal Pretraining (CPCP) module that aligns PXRD space with crystal structure space, and a Conditional Crystal Structure Generation (CCSG) module that generates candidate crystal structures conditioned on PXRD patterns. Evaluation on two MOF datasets (hMOF-100 and hMOF-400) demonstrates XtalNet's effectiveness. XtalNet achieves a top-10 Match Rate of 90.2% and 79% for hMOF-100 and hMOF-400 in conditional crystal structure prediction task, respectively. XtalNet enables the direct prediction of crystal structures from experimental measurements, eliminating the need for manual intervention and external databases. This opens up new possibilities for automated crystal structure determination and the accelerated discovery of novel materials. Powder diffraction ; Crystal structure ; Crystallography ; Materials science ; Crystal (programming language) ; Computer science ; Chemistry Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Crystallography and molecular interactions
Authors: Je‐Jun Lee | S.H. Han | Changsoon Choi | Chaewon Seo | Seungkwon Hwang | Jihyun Kim | Jung Pyo Hong | Jisu Jang | Jihoon Kyhm | Jung Ho Kim | Byoung‐Soo Yu | Jung Ah Lim | Gunuk Wang | Joohoon Kang | Yonghun Kim | Suk‐kyun Ahn | Jongtae Ahn | Do Kyung Hwang
Source: Nature Communications (article, 2025-05-19)
Field: Materials Science — Materials Chemistry

Polarization-sensitive in-sensor computing in chiral organic integrated 2D p-n heterostructures for mixed-multimodal image processing Sensor-based computing minimizes latency and energy consumption by processing data at the capture point, thereby eliminating extensive data transfer and enabling real-time decision-making. Here, we present a breakthrough in in-sensor computing via circularly polarized light detectors that integrate cholesteric liquid crystal reflectors with two-dimensional van der Waals p-n heterostructures. Our device exhibits a high dissymmetry factor (1.90), allowing effective separation of mixed circularly polarized images, along with a rapid photoresponse (4 μs) and wide linear dynamic range (up to 114.1 dB), suitable for analog multiply-and-accumulate operations in convolution-based in-sensor computing. Harnessing these detectors, we propose mixed-multimodal in-sensor computing using the chiral state of circularly polarized light to dynamically control responsivity, which enables the blending of two arbitrary image processing modes within a single, non-reconfigurable circuit. By effectively integrating polarization-sensitive detectors into the in-sensor computing framework, the proposed architecture preserves kernel optimization capabilities while simplifying circuit complexity. Heterojunction ; Polarization (electrochemistry) ; Image processing ; Computer science ; Optoelectronics ; Organic molecules ; Materials science ; Image sensor ; Nanotechnology ; Artificial intelligence ; Image (mathematics) ; Chemistry ; Molecule ; Organic chemistry Luminescence and Fluorescent Materials ; Perovskite Materials and Applications ; Analytical Chemistry and Sensors
Authors: Lacrimioara Șenilă | Enikő Kovács | Marin Șenilă
Source: Membranes (review, 2025-07-14)
Field: Materials Science — Biomaterials

A Review of Polylactic Acid (PLA) and Poly(3-hydroxybutyrate) (PHB) as Bio-Sourced Polymers for Membrane Production Applications In recent years, membranes have found extensive applications, primarily in wastewater purification and food packaging. However, petroleum-based membranes can be detrimental to the environment. For this reason, extensive studies are being conducted to identify environmentally friendly substitutes for the materials used in membrane composition. Among these materials, polylactic acid (PLA) and poly(3-hydroxybutyrate) (PHB) are two bio-sourced and biodegradable polymers that can be derived from lignocellulosic waste. These polymers also possess suitable characteristics, such as thermal resistance and mechanical strength, which make them potential candidates for replacing conventional plastics. This study provides an overview of recent advances in the production of PLA and PHB, with a focus on their extraction from lignocellulosic biomass, as well as the recent applications of these two biodegradable polymers as sustainable materials in membrane manufacturing. The advantages and limitations of membranes produced from these materials are also summarized. Lastly, an analysis of future trends is provided concerning new sources, production possibilities, and potential applications in water treatment (mainly for metal ions separation), gas separation, oil-water separation, medical applications, drug release control, and food packaging. Polylactic acid ; Polyhydroxyalkanoates ; Polymer ; Biodegradable polymer ; Membrane ; Materials science ; Polyhydroxybutyrate ; Polymer science ; Chemical engineering ; Chemistry ; Composite material ; Biochemistry ; Engineering ; Bacteria ; Biology biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications ; Carbon dioxide utilization in catalysis
Authors: Guido Giannetti | Fumiki Matsumura | Federico Caporaletti | Dimitra Micha | Gijsje H. Koenderink | Ioana M. Ilie | Mischa Bonn | Sander Woutersen | Giulia Giubertoni
Source: Biomacromolecules (review, 2025-04-10)
Field: Materials Science — Biomaterials

Water and Collagen: A Mystery Yet to Unfold Collagen is the most abundant protein in the human body and plays an essential role in determining the mechanical properties of the tissues. Both as a monomeric protein and in fibrous assemblies, collagen interacts with its surrounding molecules, in particular with water. Interestingly, while it is well established that the interaction with water strongly influences the molecular and mechanical properties of collagen and its assemblies, the underlying mechanisms remain largely unknown. Here, we review the research conducted over the past 30 years on the interplay between water and collagen and its relevance for tissue properties. We discuss the water-collagen interaction on relevant time- and length scales, ranging from the vital role of water in stabilizing the characteristic triple helix structure to the negative impact of dehydration on the mechanical properties of tissues. A better understanding of the water-collagen interaction will help to unravel the effect of mutations and defective collagen production in collagen-related diseases and to pinpoint the key design features required to synthesize collagen-based biomimetic tissues with tailored mechanical properties. Chemistry ; Polymer science ; Chemical engineering ; Polymer chemistry ; Engineering Collagen: Extraction and Characterization ; Marine Biology and Environmental Chemistry
Authors: Farida Baraka | Amaia Morales | Iván Velazco‐Cabral | Iván Rivilla | Jalel Labidi
Source: Advanced Composites and Hybrid Materials (article, 2025-01-24)
Field: Materials Science — Biomaterials

Physically cross-linked cellulose nanofiber (LCNF/CNF) hydrogels: impact of the composition on mechanical and swelling properties Abstract Lignocellulose nanofibers (LCNFs) are highly regarded for their ability to significantly enhance the rigidity of formed structures. When integrated into cellulose nanofiber (CNF) hydrogels, they hold substantial promise in augmenting mechanical strength, as well as improving adsorption capacity. Herein, the preparation of hydrogels from an aqueous suspension of CNFs and LCNFs extracted from eucalyptus cellulose pulp through a homogenization process is outlined. Suspensions of different concentrations were prepared to assess the influence of lignin and nanofiber content on the properties of the hydrogels. The hydrogels cellulose nanofibers (HCNF) and lignocellulose nanofibers (HLCNF) were formed through a freeze–thaw process, revealing an enhancement in rigidity with increasing nanofiber concentration. DFT (density functional theory) calculations illustrated the cross-linking mechanism between cellulose chains induced by the crystallization of water molecules, thus, corroborating the postulated hydrogel formation mechanism. Microstructural analysis revealed honeycomb-shaped matrices in longitudinal sections, with HLCNF hydrogels presenting less smooth walls. Studies on water adsorption capacity showed rapid swelling in both hydrogels, correlated with the nanofiber content reaching 8750% and 5500% for HLCNF and HCNF, respectively. HLCNF hydrogels exhibited higher adsorption capacity due to the influence of lignin on cross-linking rates. Mechanical compression tests demonstrated exceptional resilience in all hydrogels. Despite having a lower cross-linking density compared to hydrogels made from 2 wt.% cellulose nanofibers, hydrogels composed of 2 wt.% lignocellulose nanofibers exhibited a Young’s modulus of 2.83 kPa. This underscores the superior mechanical properties of lignin-based hydrogels, highlighting the effect of lignin on the hydrogel matrix. Cellulose ; Swelling ; Self-healing hydrogels ; Nanofiber ; Materials science ; Polymer science ; Composite material ; Polymer chemistry ; Chemical engineering ; Chemistry ; Organic chemistry Advanced Cellulose Research Studies ; Electrospun Nanofibers in Biomedical Applications ; Electrohydrodynamics and Fluid Dynamics
Authors: Kateryna Diedkova | Iryna Roslyk | Nikola Kanas | Lita Grine | Volodymyr Deineka | Agata Blacha‐Grzechnik | Mārtiņš Borodušķis | Igor Iatsunskyi | Błażej Anastaziak | Anastasia Konieva | Pavlo Shubin | Wojciech Simka | Marks Truhins | Oksana Sulaieva | Ilya Yanko | Veronika Zahorodna | Goran M. Stojanović | Oleksiy Gogotsi | Yury Gogotsi | Maksym Pogorielov
Source: ACS Applied Materials & Interfaces (article, 2025-08-18)
Field: Materials Science — Materials Chemistry

Effects of Etching and Delamination on Biocompatibility of Ti-Based MXenes MXenes, a class of two-dimensional transition metal carbides and nitrides, have emerged as promising candidates for biomedical applications due to their electrical conductivity, photothermal response, and rich surface chemistry. However, their biocompatibility is highly sensitive to synthesis conditions, particularly etching and delamination strategies. In this study, we systematically investigated the influence of different synthesis routes─using acidic (concentrated or diluted HF/HCl) etching and Li<sup>+</sup> versus Na<sup>+</sup> intercalation─on the surface chemistry, structural integrity, and biological behavior of Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> and its carbonitride analog Ti<sub>3</sub>C<sub>1.5</sub>N<sub>0.5</sub>T<sub><i>x</i></sub>. Detailed physicochemical characterization revealed that water-assisted etching and Na<sup>+</sup> intercalation enhanced hydroxylation and reduced fluorine terminations. Biological assays using human keratinocytes (HaCaT) demonstrated that Ti<sub>3</sub>C<sub>1.5</sub>N<sub>0.5</sub>T<sub><i>x</i></sub> exhibited superior biocompatibility compared to Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub>, with lower cytotoxicity, diminished ROS generation, minimal inflammatory signaling (IL-6 and IL-8 interleukins), and preserved wound healing capacity. Among Ti<sub>3</sub>C<sub>2</sub>T<sub><i>x</i></sub> variants, the combination of diluted etchant and Na<sup>+</sup> intercalation significantly improved biological tolerance, minimizing apoptosis and oxidative stress. These findings underscore the critical role of surface chemistry in MXene-cell interactions and offer a practical guide to engineering safer MXenes for biomedical use. MXenes ; Materials science ; Biocompatibility ; Delamination (geology) ; Etching (microfabrication) ; Nanotechnology ; Composite material ; Metallurgy ; Layer (electronics) MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; 2D Materials and Applications
Authors: Phil Rosenow | Carmen Fernández-Ayuso | Pedro López-García | Luis Francisco Minguez-Enkovaara
Source: Materials (review, 2025-02-03)
Field: Materials Science — Biomaterials

Design, New Materials, and Production Challenges of Bioplastics-Based Food Packaging This paper outlines the current design trends in food packaging, its main environmentally friendly material alternatives, and industrial processing technologies. In this respect, this important product has undergone several evolutions throughout history. Initially acting as a containment device, it has later evolved into a source of information and even a marketing platform for food companies, always with a view to extending shelf life. However, these functionalities are highly dependent on the materials used and their properties. In this respect, plastics have conquered the food packaging market due to their affordability and flexibility. Nevertheless, environmental concerns have arisen due to their impact on the environment, in addition to the introduction of stricter industry regulations and increased consumer environmental awareness. Therefore, this work found that the current design trends in food packaging are toward sustainability, reducing packaging complexity, with easier recycling, and material selection that combines both sustainability and functionality. In the case of bioplastics as a sustainable alternative, there is still room for improvement in their production, with careful consideration of their raw materials. In addition, their technical performance is generally lower, with challenges in barrier properties and processability, which could be addressed with the adoption of Industry 4.0. Bioplastic ; Sustainability ; Food packaging ; Flexibility (engineering) ; Production (economics) ; Environmentally friendly ; Business ; Product (mathematics) ; Raw material ; Active packaging ; Environmental impact assessment ; Sustainable products ; Manufacturing engineering ; Engineering ; Waste management ; Economics ; Mechanical engineering biodegradable polymer synthesis and properties ; Nanocomposite Films for Food Packaging ; Microplastics and Plastic Pollution
Authors: A Jadhav | Karuppiah Nagaraj
Source: Pharmaceutics (review, 2025-06-13)
Field: Materials Science — Biomaterials

Surfactant-Enabled Nanocarriers in Breast Cancer Therapy: Targeted Delivery and Multidrug Resistance Reversal Breast cancer remains a leading cause of cancer-related morbidity and mortality among women worldwide. Its treatment is complicated by molecular heterogeneity and the frequent development of multidrug resistance (MDR). Conventional drug delivery approaches are often limited by poor aqueous solubility, rapid systemic clearance, non-specific biodistribution, and off-target toxicity. This review will critically explore the possibility of surfactant-based drug delivery systems (DDSs) in addressing the constraints of standard breast cancer treatments. It focuses on the mechanisms by which surfactants promote solubility, facilitate cellular uptake, and overcome drug resistance, while also analyzing current therapeutic success and future directions. A thorough review of preclinical and clinical investigations was undertaken, focusing on important surfactant-based DDSs such as polymeric micelles, nanoemulsions, liposomes, and self-emulsifying systems (SEDDSs). Mechanistic insights into surfactant functions, such as membrane permeabilization and efflux pump inhibition, were studied alongside delivery systems incorporating ligands and co-loaded medicines. Pluronic<sup>®</sup> micelles, TPGS-based systems, biosurfactant-stabilized nanoparticles, and lipid-based carrier surfactant platforms improve medication solubility, stability, and delivery. Genexol<sup>®</sup> are examples of formulations demonstrating effective use and FDA translational potential. These systems now incorporate stimuli-responsive release mechanisms-such as pH, temperature, redox, immuno- and photodynamic treatment-artificial intelligence treatment design, and tailored treatment advancement, and responsive tailoring. Surfactant-enabled DDSs can improve breast cancer care. Innovative approaches for personalized oncology treatment are countered by the enduring challenges of toxicity, regulatory hurdles, and diminished scalability. Nanocarriers ; Multiple drug resistance ; Breast cancer ; Cancer therapy ; Medicine ; Pulmonary surfactant ; Cancer ; Drug resistance ; Pharmacology ; Chemistry ; Internal medicine ; Biology ; Drug ; Microbiology Nanoparticle-Based Drug Delivery ; Nanoplatforms for cancer theranostics ; Photodynamic Therapy Research Studies
Authors: Nirmala Kakde
Source: Communications on Applied Nonlinear Analysis (article, 2025-01-23)
Field: Chemistry — Spectroscopy

Thermal Analytical Characterization of Gymnema sylvestre Using TGA-DTA Technique Gymnema sylvestre, a well-known antidiabetic plant, has been extensively studied for its therapeutic potential across various traditional medicine systems. It is widely used to treat a range of ailments in humans. In modern herbal medicine, drug standardization is critical to ensure the quality and purity of herbal drugs. The TGA-DTA (Thermogravimetric Analysis - Differential Thermal Analysis) technique is commonly employed to study the physical and chemical changes of various herbal substances. In this study, the thermal and chemical characteristics of powdered leaves, stems, and roots of Gymnema sylvestre were analysed using TGA-DTA methods. TGA (Thermogravimetric Analysis) and DTA (Differential Thermal Analysis) are sophisticated thermal analysis techniques commonly used to examine the thermal properties, stability, and composition of a wide range of materials, including medicinal plants, pharmaceuticals, polymers, and other substances. The TGA and DTA curves were recorded over the temperature range of 35°C to 700°C to examine the decomposition patterns of Gymnema sylvestre plant material. In the DTA curve, an endothermic peak at 101°C was observed in all samples, corresponding to the evaporation of water from the surface and pores of the powder. A second weight loss between 350°C and 400°C is attributed to the degradation of cellulose and hemicellulose present in the plant. Further analysis suggests the possibility of lignin degradation occurring between 450°C and 700°C as the temperature is extended. The TGA analysis of the powdered leaves, stems, and roots of G. sylvestre provides valuable insights into the stability and composition of this medicinal plant. These results offer supporting data that can be utilized for the identification and standardization of Gymnema sylvestre in herbal drug analysis. Gymnema sylvestre ; Thermogravimetric analysis ; Differential thermal analysis ; Chemistry ; Thermal analysis ; Thermal stability ; Materials science ; Organic chemistry ; Traditional medicine ; Medicine ; Thermal ; Thermodynamics Analytical Chemistry and Chromatography ; Phytochemicals and Antioxidant Activities ; Thermal and Kinetic Analysis
Authors: Giovanni Venturelli | Federica Villa | Mariagioia Petraretti | G Guagliano | Marinella Levi | Paola Petrini
Source: Gels (review, 2025-04-02)
Field: Materials Science — Biomaterials

Bacterial Cellulose for Scalable and Sustainable Bio-Gels in the Circular Economy Microbial-derived materials are emerging for applications in biomedicine, sensors, food, cosmetics, construction, and fashion. They offer considerable structural properties and process reproducibility compared to other bio-based materials. However, challenges related to efficient and sustainable large-scale production of microbial-derived materials must be addressed to exploit their potential fully. This review analyzes the synergistic contribution of circular, sustainable, and biotechnological approaches to enhance bacterial cellulose (BC) production and fine-tune its physico-chemical properties. BC was chosen as an ideal example due to its mechanical strength and chemical stability, making it promising for industrial applications. The review discusses upcycling strategies that utilize waste for microbial fermentation, simultaneously boosting BC production. Additionally, biotechnology techniques are identified as key to enhance BC yield and tailor its physico-chemical properties. Among the different areas where cellulose-based materials are employed, BC shows promise for mitigating the environmental impact of the garment industry. The review emphasizes that integrating circular and biotechnological approaches could significantly improve large-scale production and enhance the tunability of BC properties. Additionally, these approaches may simultaneously provide environmental benefits, depending on their future progresses. Future advancements should prioritize circular fermentation and biotechnological techniques to expand the potential of BC for sustainable industrial applications. Biochemical engineering ; Circular economy ; Bacterial cellulose ; Sustainable production ; Sustainability ; Exploit ; Nanotechnology ; Production (economics) ; Environmental science ; Cellulose ; Biotechnology ; Process engineering ; Materials science ; Computer science ; Engineering ; Biology Advanced Cellulose Research Studies ; Biofuel production and bioconversion ; Enzyme Production and Characterization