jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Arthur H. G. David | Juan M. Cuerva | Víctor Blanco
Source: ChemistryEurope (article, 2025-03-12)
Field: Materials Science — Materials Chemistry

Circularly Polarized Luminescence in Rotaxanes and Catenanes Abstract Rotaxanes and catenanes have proven to be key structures in the development of artificial molecular machines with a variety of applications. Among them, the study and modulation of optical properties, mainly light emission, have been widely explored. The growing interest in chiral mechanically interlocked molecules has enabled this research interest to be extended to chiroptical properties, in particular to the study of circularly polarized luminescence. In this review, we discuss the progress on this topic, from seminal examples to the growing number of examples reported in very recent years. Both rotaxanes and catenanes with a fixed or static CPL response are reviewed, but also designs that exploit the switching mechanisms enabled by these interlocked architectures to modulate and switch their CPL response both in solution and/or in the aggregate or solid state. Catenane ; Luminescence ; Nanotechnology ; Materials science ; Chemistry ; Optoelectronics ; Organic chemistry ; Molecule Luminescence and Fluorescent Materials ; Supramolecular Chemistry and Complexes ; Synthesis and Properties of Aromatic Compounds
Authors: Chenghao Chen | Zhenhai Yang | Tianyi Hang | Yining Hao | Yijing Chen | Chengzhuang Zhang | Jiong Yang | Xiaoyi Liu | Xiaofeng Li | Guoyang Cao
Source: Light Science & Applications (article, 2025-08-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrical-gain-assisted circularly polarized photodetection based on chiral plasmonic metamaterials Circularly polarized light (CPL) detectors based on chiral organic materials or inorganic structures hold great potential for highly integrated on-chip applications; however, these devices usually have to seek an optimal balance among the asymmetry factor (g), responsivity (R), and stability. Here, we aim to break such a limitation by combining chiral inorganic plasmonic metamaterials with electrical gain, by which one can enhance both g and R while simultaneously securing the stability. We demonstrate a CPL detector based on "S"-shaped chiral Ag nanowires/InAs/Si heterostructures, where the meticulous construction of the "S"-shaped chiral Ag nanowires with the overlaying InAs channel enables a substantial absorption asymmetry in InAs due to differentiated localized surface plasmon resonances excited by left- and right-circularly polarized (LCP and RCP) light. The InAs serves as a conductive channel, achieving significant electrical gain through photoconductive effects assisted by photogating, gate modulation, and trap effects. The proposed inorganic stable device exhibits a high electrical g of ~1.56, an ultra-high R of ~33,900 A W<sup>-1</sup>, a large specific detectivity of ~1.8 × 10<sup>11</sup> Jones, and an ultra-short response time of ~23 ns, with the high performance achieved in a broad spectral range from 2 μm to 2.8 μm. Ultimately, by encoding ASCII code 1 and 0 onto LCP and RCP light, respectively, and leveraging the device's heightened discrimination and response performance to these polarizations, we demonstrate a simple yet key-free optical encryption communication scheme at the device level, highlighting its extensive potential for system-level applications. Optoelectronics ; Plasmon ; Materials science ; Responsivity ; Nanowire ; Metamaterial ; Photoconductivity ; Circular polarization ; Photodetector ; Optics ; Physics Metamaterials and Metasurfaces Applications ; Liquid Crystal Research Advancements ; Plasmonic and Surface Plasmon Research
Authors: Abhishek Singh | Shreni Agrawal | Vishnu D. Rajput | Tatiana Minkina | Christopher Rensing | Mohamed S. Elshikh | Yufei Zhao | Αθανάσιος Αλεξίου | Marios Papadakis | Karen Ghazaryan
Source: Discover Sustainability (article, 2025-02-19)
Field: Materials Science — Materials Chemistry

Biogenic nanoparticles for managing salinity stress-related crop and environmental risks: realistic applications and challenges Abstract Every year, high salinity reduces agricultural yields by a substantial amount owing to osmotic and ionic impacts that prevent plants from absorbing the required water and promote the hyperaccumulation of ions, which enter the transpiration stream and injure plant cells. Several crops have been shown to benefit from the application of green or biogenic NPs of varying shapes, sizes, and concentrations, which are intended to protect crops against salt stress through enhanced growth metrics, seed germination and yield, improved root architecture, and defensive changes in biochemical/physiological indices. Although the underlying molecular basis of this phenomenon remains unclear, some studies have shown that exposing cells to NPs can alter the expression of several genes that generally respond to salt stress. As a result, biogenic NPs are considered viable alternative techniques for reducing the adverse effects of salinity stress on agricultural production. In the present review, keen emphasis has been placed on how biogenic NPs are helpful in decreasing the adverse effects of salinity stress on crops, which might be useful for the agriculture sector in the coming climate change era. Salinity ; Environmental science ; Crop ; Environmental stress ; Nanoparticle ; Environmental resource management ; Agronomy ; Materials science ; Nanotechnology ; Environmental protection ; Ecology ; Biology Nanoparticles: synthesis and applications
Authors: José Sebastián Dávila Costa | Cintia M. Romero
Source: Biophysica (article, 2025-04-22)
Field: Materials Science — Materials Chemistry

Nano-Biofungicides and Bio-Nanofungicides: State of the Art of Innovative Tools for Controlling Resistant Phytopathogens Fungal diseases represent a significant threat to global agriculture, leading to substantial crop losses and endangering food security worldwide. Conventional chemical fungicides, while effective, are increasingly criticized for their detrimental environmental impacts, including soil degradation, water contamination, and the disruption of non-target organisms. Additionally, the overuse of these fungicides has accelerated the emergence of resistant fungal strains, further challenging disease management strategies. In response to these issues, bio-nanofungicides and nano-biofungicides have emerged as a cutting-edge solution, combining biocompatibility, environmental safety, and enhanced efficacy. These advanced formulations integrate bio-based agents, such as microbial metabolites or plant extracts, with nanotechnology to improve their stability, controlled release, and targeted delivery. Chitosan, silica, and silver nanoparticles were extensively studied for their ability to encapsulate bioactive compounds or because of their outstanding antifungal activity, while minimizing environmental residues. Recent studies demonstrated the potential of nano-based fungicides to address critical gaps in sustainable agriculture, with promising applications in integrated pest management systems. Here, we summarize the last advances in the development of bio-nanofungicides and nano-biofungicides and analyze the main differences between them. In addition, challenges such as large-scale production, regulatory approval, and comprehensive risk assessments are discussed. Nanotechnology ; Chemistry ; Materials science Nanoparticles: synthesis and applications ; Nanocomposite Films for Food Packaging
Authors: Dylan Shearsby | Jiaqi Wu | Dekun Yang | Bo Peng
Source: Nanoscale (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Tuning electronic and optical properties of 2D polymeric C<sub>60</sub> by stacking two layers Benefiting from improved stability due to interlayer van der Waals interactions, few-layer fullerene networks are experimentally more accessible compared to monolayer polymeric C<sub>60</sub>. However, there is a lack of systematic theoretical studies on the material properties of few-layer C<sub>60</sub> networks. Here, we compare the structural, electronic and optical properties of bilayer and monolayer fullerene networks. The band gap and band-edge positions remain mostly unchanged after stacking two layers into a bilayer, enabling the bilayer to be almost as efficient a photocatalyst as the monolayer. The effective mass ratio along different directions is varied for conduction band states due to interlayer interactions, leading to enhanced anisotropy in carrier transport. Additionally, stronger exciton absorption is found in the bilayer than that in the monolayer over the entire visible light range, rendering the bilayer a more promising candidate for photovoltaics. Moreoever, the polarisation dependence of optical absorption in the bilayer is increased in the red-yellow light range, offering unique opportunities in photonics and display technologies with tailored optical properties over specific directions. Our study provides strategies to tune electronic and optical properties of 2D polymeric C<sub>60</sub><i>via</i> the introduction of stacking degrees of freedom. Stacking ; Materials science ; Optoelectronics ; Nanotechnology ; Chemistry ; Organic chemistry Fullerene Chemistry and Applications ; Boron and Carbon Nanomaterials Research ; Graphene research and applications
Authors: Anders Andreasen | Jasper M. van Baten
Source: Energy & Fuels (article, 2025-02-02)
Field: Materials Science — Materials Chemistry

Techno-Economic Analysis and Optimization of Gray and Green Methanol Synthesis Using Flowsheet Automation and Surrogate Modeling Recognizing methanol’s versatile role as a chemical precursor and energy carrier, we addressed its traditional production from fossil fuels and the associated challenges in pivoting to green alternatives due to the cost of green hydrogen. The research focuses on techno-economic analysis and optimization, employing a validated chemical process simulation tool integrated with economic analyses, reflecting CAPEX and OPEX models, and considering heat recovery to promote self-sufficiency. The study compares gray (traditional syngas) and green (biogenic CO2 and green hydrogen) methanol production pathways while also optimizing process factors, such as feed pressure, purge rate, temperature, and catalyst volume, to achieve cost-effectiveness. In green methanol production specifically, the paper finds that optimal conditions are slightly milder than for gray methanol, highlighting the importance of process variables like purge rate given the high cost of green hydrogen. Still with current price level of hydrogen from electrolysis, the leveled cost of methanol is several times more expensive via direct hydrogenation compared to production from fossil syngas. Results from the simulation-driven optimization underline the delicate balance between various objectives, such as minimizing costs or maximizing output, and demonstrate instances of pareto optimality. This study thus contributes with an integrated assessment of methanol production techniques, utilizing process simulation, economic evaluation, and heat integration for both gray and green methanol, aiming to pave the way for more sustainable chemical processes in the industry. Methanol ; Surrogate model ; Process engineering ; Automation ; Computer science ; Chemistry ; Biochemical engineering ; Environmental science ; Pulp and paper industry ; Engineering ; Organic chemistry ; Machine learning ; Mechanical engineering Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Oxidation Reactions
Authors: Michael A. Pence | Gavin Hazen | Joaquín Rodríguez‐López
Source: Current Opinion in Electrochemistry (article, 2025-03-08)
Field: Chemistry — Electrochemistry

The emergence of automation in electrochemistry Automated electrochemistry is emerging as a powerful tool to accelerate discoveries in important fields such as energy storage, catalysis, electrosynthesis, and electrochemical sensing, among others. Automated electrochemistry platforms (AEPs) offer the ability to increase the throughput of electrochemical experiments, reduce the workload of manual experimenters, and offer opportunities for enhanced reproducibility and transferability of experimental protocols. This review explores the design, capabilities, and applications of AEPs, highlighting platforms constructed with various fluid handling, motion control, and signal multiplexing capabilities for a variety of applications. Further, we highlight platforms that integrate automated synthesis and electrochemical characterization and we discuss the role of Bayesian optimization in autonomous experiments, enabling both performance optimization and mechanistic insight. Finally, we offer an outlook on the potential future directions of automated electrochemistry. Automation ; Electrochemistry ; Nanotechnology ; Materials science ; Engineering ; Chemistry ; Electrode ; Mechanical engineering Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors ; Advanced Chemical Sensor Technologies
Authors: Kimia Javar | Amin Foroozandeh | Mahsa Souri | Hossein Salar Amoli | Mohammad Hasanzadeh
Source: TrAC Trends in Analytical Chemistry (article, 2025-01-28)
Field: Chemistry — Analytical Chemistry

Critical role of single drop microextraction for drug isolation from complex matrix towards efficient pharmaceutical analysis: Advances and challenges Isolation (microbiology) ; Complex matrix ; Drop (telecommunication) ; Drug ; Chromatography ; Matrix (chemical analysis) ; Computer science ; Chemistry ; Medicine ; Pharmacology ; Bioinformatics ; Biology Analytical chemistry methods development ; Analytical Chemistry and Chromatography ; Microfluidic and Capillary Electrophoresis Applications
Authors: Manting Song | Chao Gong | Ximei Liu
Source: JOURNAL OF POLYMER MATERIALS (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

3D Printed PEDOT:PSS Flexible Electrochromic Devices for Patterned Displays Flexible electrochromic devices (FECDs) demonstrate significant potential for applications in wearable electronics, military camouflage, and flexible smart displays. As a crucial electrochromic material, poly(3,4-ethylenediox... | Find, read and cite all the research you need on Tech Science Press Electrochromism ; PEDOT:PSS ; Materials science ; Optoelectronics ; Electrochromic devices ; Nanotechnology ; Chemistry ; Electrode ; Layer (electronics) Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Advanced Sensor and Energy Harvesting Materials
Authors: Celine Cammarere | Jaeden Cortés | T. Grant Glover | Randall Q. Snurr | Joseph T. Hupp | Jian Liu
Source: Frontiers in Chemistry (review, 2025-07-08)
Field: Chemistry — Inorganic Chemistry

Water-enhanced CO2 capture in metal–organic frameworks CO<sub>2</sub> capture from post-combustion flue gas originating from coal or natural gas power plants, or even from the ambient atmosphere, is a promising strategy to reduce the atmospheric CO<sub>2</sub> concentration and achieve global decarbonization goals. However, the co-existence of water vapor in these sources presents a significant challenge, as water often competes with CO<sub>2</sub> for adsorption sites, thereby diminishing the performance of adsorbent materials. Selectively capturing CO<sub>2</sub> in the presence of moisture is a key goal, as there is a growing demand for materials capable of selectively adsorbing CO<sub>2</sub> under humid conditions. Among these, metal-organic frameworks (MOFs), a class of porous, highly tunable materials, have attracted extensive interest for gas capture, storage, and separation applications. The numerous combinations of secondary building units and organic linkers offer abundant opportunities for designing systems with enhanced CO<sub>2</sub> selectivity. Interestingly, some recent studies have demonstrated that interactions between water and CO<sub>2</sub> within the confined pore space of MOFs can enhance CO<sub>2</sub> uptake, flipping the traditionally detrimental role of moisture into a beneficial one. These findings introduce a new paradigm: water-enhanced CO<sub>2</sub> capture in MOFs. In this review, we summarize these recent discoveries, highlighting examples of MOFs that exhibit enhanced CO<sub>2</sub> adsorption under humid conditions compared to dry conditions. We discuss the underlying mechanisms, design strategies, and structural features that enable this behavior. Finally, we offer a brief perspective on future directions for MOF development in the context of water-enhanced CO<sub>2</sub> capture. Metal-organic framework ; Chemistry ; Environmental chemistry ; Environmental science ; Adsorption ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon Dioxide Capture Technologies
Authors: Jake Ballard | M.E. Hubbard | Sung-Jin Jung | Vanessa Rojas | Richard Ung | Junwoo Suh | Minsoo Kim | J. Lee | Jonathan Pierce | R. Venkatasubramanian
Source: Nature Communications (article, 2025-05-21)
Field: Materials Science — Materials Chemistry

Nano-engineered thin-film thermoelectric materials enable practical solid-state refrigeration Refrigeration needs are increasing worldwide with a demand for alternates to bulky poorly scalable vapor compression systems. Here, we demonstrate the first proof of practical solid-state refrigeration, using nano-engineered controlled hierarchically engineered superlattice thin-film thermoelectric materials. With 100%-better thermoelectric materials figure of merit, ZT, than the conventional bulk materials near 300 K, we demonstrate (i) module-level ZT greater than 75% and (ii) a system-level refrigeration ZT 70% better than that of bulk devices. Thin-film thermoelectric modules offer 100-300% better coefficient-of-performance than bulk devices depending on operational scenarios; system-level coefficient-of-performance is ~15 for temperature differentials of 1.3 °C. The thin-film devices enable more heat pumping per P-N couple, relevant for distributed and portable refrigeration, and electronics cooling. Beyond the demonstration of nano-engineered materials for a system-level advantage, we utilize 1/1000<sup>th</sup> active materials with scalable microelectronic manufacturing. The improved efficiency and ultra-low thermoelectric materials usage herald a new beginning in solid-state refrigeration. Materials science ; Nano- ; Refrigeration ; Solid-state ; Nanotechnology ; Thermoelectric effect ; Thin film ; Engineering physics ; Mechanical engineering ; Composite material ; Thermodynamics ; Engineering ; Physics Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Perfectionism, Procrastination, Anxiety Studies
Authors: Andre Niyongabo Rubungo | Kangming Li | Jason Hattrick‐Simpers | Adji Bousso Dieng
Source: Machine Learning Science and Technology (article, 2025-05-02)
Field: Materials Science — Materials Chemistry

LLM4Mat-bench: benchmarking large language models for materials property prediction Abstract Large language models (LLMs) are increasingly being used in materials science. However, little attention has been given to benchmarking and standardized evaluation for LLM-based materials property prediction, which hinders progress. We present LLM4Mat-Bench, the largest benchmark to date for evaluating the performance of LLMs in predicting the properties of crystalline materials. LLM4Mat-Bench contains about 1.9 M crystal structures in total, collected from 10 publicly available materials data sources, and 45 distinct properties. LLM4Mat-Bench features different input modalities: crystal composition, CIF, and crystal text description, with 4.7 M, 615.5 M, and 3.1B tokens in total for each modality, respectively. We use LLM4Mat-Bench to fine-tune models with different sizes, including LLM-Prop and MatBERT, and provide zero-shot and few-shot prompts to evaluate the property prediction capabilities of LLM-chat-like models, including Llama, Gemma, and Mistral. The results highlight the challenges of general-purpose LLMs in materials science and the need for task-specific predictive models and task-specific instruction-tuned LLMs in materials property prediction 7 7 The Benchmark and code can be found at: https://github.com/vertaix/LLM4Mat-Bench . . Benchmarking ; Property (philosophy) ; Computer science ; Natural language processing ; Business ; Philosophy Machine Learning in Materials Science ; Manufacturing Process and Optimization
Authors: Miaolu He | Shuyuan Shi | Ze Liu | Yina Wu | Lei Wang
Source: Chemical Communications (review, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Design, synthesis, and applications of defective metal–organic frameworks in water treatment Metal-organic frameworks (MOFs) have recently garnered significant attention for their potential in water treatment technologies, owing to their unique spatial structures and chemically tunable properties. Defects within MOFs are regarded as excellent tools for enhancing certain material properties. Intentional design and synthesis of defects in MOFs can boost the number of active sites, optimize the framework, increase material conductivity, and fine-tune both structural porosity and chemical properties, thereby elevating their performance in water treatment applications, for instance, catalysis, adsorption, and membrane separation. This review sequentially presents the classification of defective MOFs (encompassing point defects, line defects, planar defects, and mesoscale volume defects), fabrication strategies (including <i>de novo</i> synthesis and post-synthesis treatment), characterization techniques (spanning common spatially resolved measurement techniques and chemical analysis approaches), and their performance in water treatment applications (including catalysis, adsorption, and membrane separation). This review also examines the mechanisms behind the enhanced water treatment performance of defective MOFs and explores the prospective barriers and prospects for their application in water treatment. Metal-organic framework ; Nanotechnology ; Chemistry ; Combinatorial chemistry ; Materials science ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications