jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiaofei Niu | Xinwen Ou | Shizhe Ren | Ke Wang | Fengyan Song | Xiaobin Dong | Wu‐Jie Guo | Hui‐Qing Peng | Zujin Zhao | Jacky W. Y. Lam | Yong Sheng Zhao | Fei Li | Shu‐Yan Yu | Ben Zhong Tang
Source: Aggregate (article, 2025-02-04)
Field: Materials Science — Materials Chemistry

Circularly Polarized Luminescence Inversion in AIE‐Active Crystal Enabled by Solvent‐Induced Transition Dipole Moment Regulation ABSTRACT Control of the dissymmetry of circularly polarized luminescence (CPL) is intriguing and has great potential for applications in the field of optics. The traditional control strategy involves using the opposite enantiomers to achieve reversal of CPL signs. However, regulating CPL reversal by controlling only the transition dipole moments without changing molecular or supramolecular chirality remains a challenge. Herein, we developed a couple of crystal materials based on axially chiral aggregation‐induced emission luminogens (AIEgens). These materials exhibit achiral solvent‐induced CPL sign inversion with identical helical structures and molecular chirality in their crystalline states. ( R )‐BPAuCz T displays (+)‐CPL with a dissymmetry factor of luminescence ( g lum ) value of +9.81 × 10 −4 (560 nm), while ( R )‐BPAuCz C exhibits (−)‐CPL with a g lum value of −1.02 × 10 −3 (560 nm). Time‐dependent density functional theory calculations show that the magnetic and electric transition dipole moments at S 1 → S 0 of the ( R )‐BPAuCz C unit cell are considerably influenced by the cocrystallized solvent molecules, revealing a solvent‐induced CPL inversion mechanism. The nonbonding interactions between the solvent molecules (i.e., tetrahydrofuran or CDCl 3 ) and AIEgens in the crystal play a crucial role in the manipulation of the transition dipole moment of these crystal materials. Moreover, microrods of ( R )‐BPAuCz T , ( R )‐BPAuCz C , and ( R )‐BPAuCz DCE exhibit optical waveguide properties with relatively low optical‐loss coefficients of 187.3, 567.4, and 65.2 dB/cm, respectively. These findings can help in developing a new strategy toward controlling CPL signals and providing a potential application for future integrated photonic circuits. Luminescence ; Dipole ; Transition dipole moment ; Inversion (geology) ; Photochemistry ; Solvent ; Electric dipole transition ; Moment (physics) ; Materials science ; Molecular physics ; Chemistry ; Physics ; Optoelectronics ; Magnetic dipole ; Quantum mechanics ; Organic chemistry ; Geology Luminescence and Fluorescent Materials ; Perovskite Materials and Applications ; Luminescence Properties of Advanced Materials
Authors: Ben Jia | Xin Zhao | Xiaopeng Wan | Zhengying Wu | Yao Wu | Heyuan Huang
Source: Advanced Healthcare Materials (review, 2025-08-16)
Field: Materials Science — Biomaterials

Biofunctional and Interface‐Engineered Hydrogels for Advanced Tissue Engineering Hydrogels are recognized as promising biomaterials in tissue engineering, playing key roles as adhesives, patches, dressings, and scaffolds for tissue repair. Their interactions with tissues, from the cellular to the entire tissue interface level, have made bioinspired surface modification a significant research focus. This review systematically examines the progress in hydrogel-based tissue engineering, emphasizing the benefits of interface modifications. It highlights key design principles, including surface structure optimization, material selection, crosslinking techniques, and advanced manufacturing strategies such as 3D bioprinting and electrospinning. The review discusses three core strategies: controlling hydrogel surface structures, chemical composition, and functionality. It explores the use of natural and synthetic materials, along with common physical and chemical crosslinking methods. Additionally, it evaluates the role of techniques such as grafting, coating, electrospinning, patterning, and 3D printing in creating bioinspired surfaces that closely mimic native tissue environments, enhancing tissue regeneration. The effectiveness of these surfaces in soft and hard tissue repair is assessed, suggesting that recent advancements offer valuable insights for hydrogel design and application, while outlining future directions for achieving successful tissue engineering outcomes, improving clinical therapeutic strategies, and expanding hydrogel-based technologies in regenerative medicine. Tissue engineering ; Self-healing hydrogels ; Materials science ; Nanotechnology ; Regenerative medicine ; Regeneration (biology) ; 3D bioprinting ; Surface modification ; Biomedical engineering ; Engineering ; Stem cell ; Mechanical engineering Electrospun Nanofibers in Biomedical Applications ; 3D Printing in Biomedical Research ; Bone Tissue Engineering Materials
Authors: Xingyu Wu | Katharina Ehrmann | Chunyuan Gan | Benjamin Leuschel | Fred Pashley‐Johnson | Christopher Barner‐Kowollik
Source: Advanced Materials (article, 2025-02-17)
Field: Materials Science — Materials Chemistry

Two Material Properties from One Wavelength‐Orthogonal Photoresin Enabled by a Monochromatic Laser Integrated Stereolithographic Apparatus (Mono LISA) Multi-material printing has experienced critical advances in recent years, yet material property differentiation capabilities remain limited both with regard to the accessible properties - typically hard versus soft - and the achievable magnitude of differentiation. To enhance multi-material printing capabilities, precise photochemical control during 3D printing is essential. Wavelength-differentiation is a particularly intriguing concept yet challenging to implement. Notably, dual-wavelength printing to fabricate hard and soft sections within one object has emerged, where one curing process is insensitive to visible light, while UV irradiation inevitably activates the entire resin, limiting true spatio-temporal control of the material properties. Until now, pathway-independent wavelength-orthogonal printing has not been realized, where each wavelength exclusively triggers only one of two possible reactions, independent of the order in which the wavelengths are applied. Herein, a multi-wavelength printing technique is introduced employing a tunable laser to monochromatically deliver light to the printing platform loaded with a fully wavelength-orthogonal resin. Guided by photochemical action plots, two distinct wavelengths - each highly selective toward a specific photocycloaddtion reaction - are utilized to generate distinct networks within the photoresin. Ultimately, together with the printing technique, this orthogonally addressable photoresin allows fabricating multi-material objects with degradable and non-degradable properties, in a single fabrication step. Materials science ; Wavelength ; 3D printing ; Laser ; Optoelectronics ; Curing (chemistry) ; Fabrication ; Nanotechnology ; Optics ; Composite material Photochromic and Fluorescence Chemistry ; Photopolymerization techniques and applications ; Nanofabrication and Lithography Techniques
Authors: Jiawei Zhai | Qi Ai | Huaqing Li | Zugang Liu | Xiaoguang Hu
Source: Advanced Science (article, 2025-01-13)
Field: Materials Science — Materials Chemistry

Visible‐Light‐Driven Fluorescence Turn‐on Photoswitches With Near Quantitative Photocyclization Yield Photoswitchable fluorescent materials have gained significant attention for their potential in advanced information encryption and anti-counterfeiting applications. However, the common use of UV light to trigger the isomerization processes leads to photobleaching and poor fatigue resistance. Visible-light-driven fluorescent photoswitches are highly desirable, but achieving high cyclization yield remains challenging. Herein, it is reported that all visible-light-driven turn-on fluorescence in dimethoxyphenyl functionalized diarylethene isomers. The open-ring form of o-DMPB and p-DMPB exhibits near quantitative conversion yields (up to 94%) under 405 nm visible light, attributed to the strong electron-donating character. In contrast, the meta isomer m-DMPB shows limited response to visible light, with a ring-closing yield of 22%. Furthermore, all photoswitches display good thermal stability, photostability, and fatigue resistance. Notably, o-DMPB demonstrates promising applications in anti-counterfeiting, information encryption, and photorewritable patterns. This work provides a valuable strategy for the development of high-performance fluorescent photoswitches. Fluorescence ; Turn (biochemistry) ; Yield (engineering) ; Visible spectrum ; Nanotechnology ; Photochemistry ; Chemistry ; Materials science ; Optoelectronics ; Optics ; Physics Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Luminescence and Fluorescent Materials
Authors: Kamini G. Panchbhai | Sarvesha S. Shetgaonkar | Pranay P. Morajkar | Madhusudan G. Lanjewar
Source: Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (article, 2025-01-05)
Field: Chemistry — Analytical Chemistry

Artificial intelligence with wrapper multioutput regression to identify chemical contents of fresh and dried manure samples using NIR spectroscopy Chemistry ; Manure ; Spectroscopy ; Food science ; Agronomy Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Qiang Liu | Maciej P. Polak | So Yeon Kim | MD Al Amin Shuvo | Hrishikesh Shridhar Deodhar | Jeongsoo Han | Dane Morgan | Heung-Seok Oh
Source: Acta Materialia (article, 2025-07-04)
Field: Materials Science — Materials Chemistry

Beyond designer's knowledge: Generating materials design hypotheses via a large language model Materials science ; Material Design ; Systems engineering ; Engineering ; Composite material Material Selection and Properties ; Machine Learning in Materials Science ; Calcium Carbonate Crystallization and Inhibition
Authors: Zhijian Du | La Li | Guozhen Shen
Source: Nano-Micro Letters (article, 2025-03-31)
Field: Materials Science — Materials Chemistry

An Ultra-Thin Wearable Thermoelectric Paster Based on Structured Organic Ion Gel Electrolyte Thermoelectric technology that utilizes thermodynamic effects to convert thermal energy into electrical energy has greatly expanded wearable health monitoring, personalized detecting, and communicating applications. Encouragingly, thermoelectric technology assisted by artificial intelligence exerts great development potential in wearable electronic devices that rely on the self-sustainable operation of human body heat. Ionic thermoelectric (i-TE) devices that possess high Seebeck coefficients and a constant and stable electrical output are expected to achieve an effective conversation of thermal energy harvesting. Herein, we developed an i-TE paster for thermal chargeable energy storage, temperature-triggered material recognition, contact/non-contact temperature detection, and photo thermoelectric conversion applications. An all-solid-state organic ionic gel electrolyte (PVDF-HFP-PEO gel) with onion epidermal cells-like structure was sandwiched between two electrodes, which take full advantage of a synergy between the Soret effect and the polymer thermal expansion effect, thus achieving the enhanced ZT value up to 900% compared with the PEO-free electrolyte. The i-TE device delivers a Seebeck coefficient of 28 mV K<sup>-1</sup>, a maximum energy conversion efficiency of 1.3% in performance, and ultra-thin and skin-attachable properties in wearability, which demonstrate the great potential and application prospect of the i-TE paster in self-sustainable wearable electronics. Thermoelectric effect ; Materials science ; Electrolyte ; Optoelectronics ; Seebeck coefficient ; Ionic bonding ; Electrode ; Thermal energy ; Thermoelectric materials ; Electric potential energy ; Electronics ; Energy transformation ; Wearable computer ; Energy harvesting ; Nanotechnology ; Ion ; Computer science ; Thermal conductivity ; Energy (signal processing) ; Electrical engineering ; Composite material ; Chemistry ; Thermodynamics ; Embedded system ; Organic chemistry Advanced Thermoelectric Materials and Devices ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Jiang Deng | Xiaonan Hu | A. Klaver | Jun Liu | Bin Liu | Linsheng Bai | Ming Xie | Dengsong Zhang
Source: Chemical Reviews (article, 2025-11-25)
Field: Materials Science — Materials Chemistry

Catalyst Deactivation in the Abatement of Atmospheric Pollutants: Origin, Resistance, and Regeneration Catalytic technology has been extensively utilized for the removal of atmospheric pollutants. Nevertheless, the intricate nature of gaseous pollutant compositions and the fluctuations in operating conditions often lead to catalyst deactivation. This review comprehensively summarizes the deactivation phenomena of catalysts during the catalytic elimination of various pollutants, including nitrogen oxides (NO<sub><i>x</i></sub>), volatile organic compounds (VOCs), hydrocarbons (HCs), soot, and non-CO<sub>2</sub> greenhouse gases (CH<sub>4</sub>, N<sub>2</sub>O, fluorinated gases). An in-depth exploration of the deactivation mechanisms is conducted, with a focus on the potential compensatory and aggravating effects among poisons under complex operating conditions. Furthermore, effective strategies for fabricating poisoning-resistant catalysts are discussed. For instance, the incorporation of sacrificial sites is proposed as a viable approach to alleviate catalyst poisoning. The sensor system and the model for catalyst deactivation are also presented. Regarding deactivated catalysts, this review delineates effective regeneration methods. It presents a novel descriptor for selecting detoxifying agents based on acid dissociation constants and a strategy for masking intractable poisons. Finally, this review emphasizes the significance of appropriate catalyst evaluation methods in accurately gauging a catalyst's genuine resistance to deactivation. It also highlights that rational catalyst evaluation methodologies, coupled with artificial intelligence-assisted catalyst design, hold great potential for extending catalyst lifespan and enhancing the efficient management of pollutants. Catalysis ; Pollutant ; Dissociation (chemistry) ; Rational design ; Heterogeneous catalysis ; Catalyst poisoning ; Masking (illustration) Catalytic Processes in Materials Science ; Industrial Gas Emission Control ; Gas Sensing Nanomaterials and Sensors
Authors: Berly Robert | Sreeram K. Kalpathy
Source: Journal of Water Process Engineering (article, 2025-05-25)
Field: Chemistry — Electrochemistry

Future prospects, challenges and opportunities in detecting heavy metal ions in water Metal ions in aqueous solution ; Heavy metals ; Metal ; Environmental chemistry ; Ion ; Environmental science ; Nanotechnology ; Chemistry ; Materials science ; Metallurgy Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Advanced Chemical Sensor Technologies
Authors: Shuang Zhao | Hao Xiao | Yuxin Li | Zijun Zhang | Yugang Wang | Qing Huang | Liuxuan Cao | Fei Gao | Cameron L. Tracy | Rodney C. Ewing | Chenxu Wang
Source: Nature Communications (article, 2025-02-11)
Field: Materials Science — Materials Chemistry

Multi-stage phase transformation pathways in MAX phases Diverse, multi-stage phase transformations occur in many materials under extreme environments. In response to irradiation, some MAX phase compositions transform from an initial hexagonal structure to an intermediate γ-phase, then to a face-centered cubic (fcc) structure, while others instead become amorphous. To date, no comprehensive description of the associated transformation mechanisms, or of the influence of composition on this phase behavior, has been reported. In this work, we combine in situ ion irradiation, Transmission electron microscopy (TEM), and density-functional theory (DFT) calculations to demonstrate the distinct transformation pathways and corresponding energetics of the γ-to-fcc transformation in a series of MAX phases. We show that structural distortion and bond covalency of the intermediate γ-phase determine the outcome of the transformation process. This yields a generalized rule to predict the phase transition behaviors of MAX phases based on their atomic radii and electronegativity. These results provide an insight into the multi-stage phase transformation pathways along which MAX phase systems and related complex materials evolve in extreme environments. Transformation (genetics) ; Stage (stratigraphy) ; Phase (matter) ; Computational biology ; Computer science ; Chemistry ; Biology ; Genetics ; Gene MXene and MAX Phase Materials ; Bone Tissue Engineering Materials ; Advanced ceramic materials synthesis
Authors: Begüm Sarac | Seydanur Yücer | Fatih Çiftçi
Source: Nanoscale (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

MXenes in microbiology and virology: from pathogen detection to antimicrobial applications MXenes, a rapidly emerging class of two-dimensional materials, have demonstrated exceptional versatility and functionality across various domains, including microbiology and virology. Recent advancements in MXene synthesis techniques, encompassing both top-down and bottom-up approaches, have expanded their potential applications in pathogen detection, antimicrobial treatments, and biomedical platforms. This review highlights the unique physicochemical properties of MXenes, including their large surface area, tunable surface chemistry, and high biocompatibility, which contribute to their antimicrobial efficacy against bacteria, fungi, and viruses, such as SARS-CoV-2. The antibacterial mechanisms of MXenes, including membrane disruption, reactive oxygen species (ROS) generation, and photothermal inactivation, are discussed alongside hybridization strategies that enhance their bioactivity. Additionally, the challenges and future prospects of MXenes in developing advanced antimicrobial coatings, diagnostic tools, and therapeutic systems are outlined. By addressing current limitations and exploring innovative solutions, this study underscores the transformative potential of MXenes in microbiology, virology, and biomedical applications. MXenes ; Microbiology ; Antimicrobial ; Pathogen ; Virology ; Clinical microbiology ; Biology ; Nanotechnology ; Materials science MXene and MAX Phase Materials ; Graphene and Nanomaterials Applications ; Advanced biosensing and bioanalysis techniques
Authors: Jia-Neng Pan | Jinyue Sun | Qian-Jun Shen | Xiaodong Zheng | Wen-Wen Zhou
Source: Food Innovation and Advances (review, 2025-01-01)
Field: Materials Science — Biomaterials

Fabrication, properties, and improvement strategies of edible films for fruits and vegetables preservation: a comprehensive review In the process of post-harvest storage and transportation, the quality of fresh fruits and vegetables are decreased due to the autogenetic physiological effect and microbial pollution, which causes great losses to the food industry. Food packaging using edible film and coatings is an emerging environmentally friendly method of fruits and vegetable preservation. This review provides an overview of various film fabrication techniques, including solution casting, extrusion, electrospinning, and 3D printing, while examining the advantages and limitations of each method. A detailed analysis is offered on the key performance parameters of these films, such as mechanical strength, water vapor permeability, antioxidant activity, antimicrobial properties, and their effectiveness in preserving fruits and vegetables. Additionally, strategies to enhance the performance of edible films through incorporating nanoparticles, natural additives, and crosslinking methods are explored. The review aims to establish a comprehensive theoretical foundation and offer practical insights to support the further development and application of edible film technology in fruits and vegetables preservation. Fabrication ; Nanotechnology ; Materials science ; Food science ; Biochemical engineering ; Biology ; Engineering ; Medicine Nanocomposite Films for Food Packaging ; Electrospun Nanofibers in Biomedical Applications ; biodegradable polymer synthesis and properties
Authors: Matthew Ward | Niamh O'Boyle
Source: RSC Medicinal Chemistry (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Analysis of the structural diversity of heterocycles amongst European medicines agency approved pharmaceuticals (2014–2023) This review presents a detailed analysis of the heterocycle diversity amongst medicines with new active substances (NAS) approved by the European Medicines Agency (EMA) in the 10 years from 2014-2023. A total of 380 medicines were approved that contain a NAS, of which 160 are small molecule products that contained one or more NAS with a heterocycle (164 NAS in total). Of the 164 heterocycle-containing NAS, 76% contained more than one heterocycle. The majority (59%) of the 164 active substances contained at least one fused heterocycle. The most common bicyclic rings were quinoline, benzimidazole, indole, and pyrrolopyrimidine. Tricyclic and polycyclic fused rings were observed but were rare. There were 28 distinct monocyclic heterocycles, consisting of 3, 4, 5, and 6 membered rings. 5-Membered rings were the most diverse as 15 of the 28 heterocycles are 5-membered rings. 6-Membered rings ranked second with 12 heterocycles. There was one 3-membered ring and one 4-membered ring seen. Nitrogen was by far the most common heteroatom in both monocyclic and fused heterocycles. Oxygen, sulfur and boron appeared in monocyclic heterocycles, whilst oxygen, sulfur and phosphorous were noted in fused heterocycles. The most common monocyclic heterocycles were pyridine, piperidine, pyrrolidine, piperazine, pyrimidine, pyrazole, triazole, imidazole and tetrahydropyran. This analysis provides valuable information on the structural diversity of heterocycles that were present in EMA approved medicines between 2014-2023. It highlights heterocycle occurrences, diversity, substitution patterns, and trends. The information detailed will be of interest to organic chemists, researchers, regulatory agencies, and the pharmaceutical industry as it demonstrates how common heterocycles are seen amongst EMA approved medicines for a wide range of therapeutic areas. Agency (philosophy) ; Diversity (politics) ; Medicine ; Business ; Political science ; Law ; Social science ; Sociology Synthesis and Biological Evaluation ; Fluorine in Organic Chemistry ; Synthesis and Catalytic Reactions
Authors: Victor Sabanza Gil | Riccardo Barbano | Daniel Pacheco Gutiérrez | Jeremy S. Luterbacher | José Miguel Hernández-Lobato | Philippe Schwaller | Loı̈c M. Roch
Source: Nature Computational Science (article, 2025-07-23)
Field: Materials Science — Materials Chemistry

Best practices for multi-fidelity Bayesian optimization in materials and molecular research Bayesian probability ; Bayesian optimization ; Fidelity ; Computer science ; Best practice ; Data science ; Machine learning ; Artificial intelligence ; Political science Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Advanced Multi-Objective Optimization Algorithms