jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tong Cai | Donghoon Shin | Jun Li | David D. Xu | Jacob Pietryga | Ye Zhang | Chad A. Mirkin
Source: Science Advances (article, 2025-01-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Creating chromaticity palettes and identifying white light emitters through nanocrystal megalibraries Halide perovskites are used to fabricate energy-efficient optoelectronic devices. Determining which compositions yield desired chromatic responses is challenging, especially when doping strategies are used. Here, we report a way of mapping the compositional space of halide perovskites to generate a light emission or "chromaticity" palette. Megalibraries consisting of millions of Mn<sup>2+</sup>-doped PEA<sub>2</sub>PbX<sub>4</sub> (PEA: phenethylammonium, X: halide anions) perovskite nanocrystals were synthesized to screen the compositions that led to specific emission profiles. The chromaticity palette allows one to identify single-composition white light emitters [PEA<sub>2</sub>Pb<sub>1-<i>y</i></sub>Mn<i><sub>y</sub></i>(Br<sub>1-<i>x</i></sub>I<i><sub>x</sub></i>)<sub>4</sub> (0 ≤ <i>x</i> ≤ 1, 0 ≤ <i>y</i> ≤ 1)], eliminating the need for trilayer structures in conventional white light-emitting diodes, which are prone to instability and complex device designs. Optical studies reveal that the dual-wavelength photoluminescence emission originates from exciton recombination and energy transfer processes. This study shows how emerging megalibrary capabilities can rapidly advance our understanding of the complex composition-structure-function relationships and be used to accelerate the discovery of next-generation optoelectronic materials. Chromaticity ; Nanocrystal ; White light ; White (mutation) ; Computer science ; Materials science ; Optics ; Optoelectronics ; Nanotechnology ; Biology ; Physics ; Genetics Gold and Silver Nanoparticles Synthesis and Applications ; Nanowire Synthesis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Seyedeh Maryam Banihashemian | Mohsen Mesbah | Hesam Kamyab | Mohammad Mahdi Taheri | Balamuralikrishnan Balasubramanian
Source: Carbon Trends (article, 2025-01-18)
Field: Materials Science — Materials Chemistry

Polarized Raman spectroscopy of aligned DNA-wrapped single-wall carbon nanotubes • New method for self-aligned arrays of single-wall carbon nanotubes (SWCNTs) introduced. • SWCNTs functionalized using a 3:1 sulfuric/nitric acid mixture and ultrasonic dispersion. • Poly(dT)20 wraps around SWCNTs, optimizing alignment via sonothermal processing. • Promising applications in biomedicine, nanoelectronics, and bio-optics demonstrated. This study introduces a new method to create highly ordered, self-aligned arrays of single-wall carbon nanotubes (SWCNTs) using short DNA composed of 20 thymine bases, known as Poly(dT)20. The SWCNTs were first functionalized through a chemical treatment involving a mixture of sulfuric acid (H 2 SO 4 ) and nitric acid (HNO 3 ) in a 3:1 ratio, followed by uniform dispersion achieved via a cold ultrasonic technique. Subsequently, the Poly(dT)20 was wrapped around the SWCNTs using a sonothermal process, with variations in time and temperature to enhance alignment. The structural integrity and alignment of the resulting Poly(dT)20 /SWCNT arrays were characterized using scanning electron microscopy (SEM), and profile meter geometry analysis, all of which confirmed the successful alignment of the SWCNTs. Further analysis through ultraviolet-visible spectroscopy (UV–VIS) and Fourier-transform infrared spectroscopy (FTIR) provided evidence of the bonding interactions between the Poly(dT)20 and SWCNTs. Ennhanced Raman spectroscopy of the Poly(dT)20/SWCNT arrays, conducted with polarized light, revealed a significant dependence of the G-band on the polarization angle, yielding a depolarization ratio of 0.211 and linear relationship between I and Cos 2 (α). The HRTEM image confirms that the attachment of 20-mer thymine to single-walled carbon nanotubes (SWCNTs) by wrapping around them introduces steric hindrance, which physically separates the nanotubes and prevents aggregation. This finding indicates a well alignment of the Poly(dT)20/SWCNT arrays. The anisotropic characteristics exhibited by the SWCNTs in conjunction with the Poly(dT)20 as a biomaterials suggest promising applications in various fields, including biomedical components, nano-electronic devices, and bio-optics. Raman spectroscopy ; Carbon nanotube ; Materials science ; Nanotechnology ; Polarization (electrochemistry) ; Spectroscopy ; Chemical engineering ; Optics ; Chemistry ; Physics ; Physical chemistry Carbon Nanotubes in Composites ; Advanced biosensing and bioanalysis techniques ; Nanopore and Nanochannel Transport Studies
Authors: Wenli Lei | Shuang Zhang | Jiaxi Shu | Fudong Li | Zixuan Deng | Juejing Liu | Xiaofeng Guo | Yuanmeng Zhao | Changsheng Shan
Source: Small (article, 2025-02-21)
Field: Materials Science — Materials Chemistry

Self‐Powered Glucose Biosensor Based on Non‐Enzymatic Biofuel Cells by Au Nanocluster/Pd Nanocube Heterostructure and Fe <sub>3</sub> C@C‐Fe Single‐Atom Catalyst Self-powered biosensors (SPBs) based on biofuel cells (BFCs) use electrical output as a sensing signal without the need of external power supplies, providing a feasible approach to constructing miniaturized implantable or portable devices. In this work, a novel nanozyme of gold nanoclusters/palladium nanocubes (AuNCs/PdNCs) heterostructure is successfully fabricated to develop an innovatively self-powered and non-enzymatic glucose sensing system. The AuNCs/PdNCs with glucose oxidase (GOD)-like activity exhibits superior electrocatalytic and non-enzymatic sensing performance toward glucose. The non-enzymatic BFCs-based SPBs system, established on the AuNCs/PdNCs (anodic catalyst) and single atomic Fe sites coupled with carbon-encapsulated Fe<sub>3</sub>C crystals (Fe<sub>3</sub>C@C-Fe SACs as a cathodic catalyst) platform, exhibits an exceptional sensitivity to glucose with 0.151 µW cm<sup>-2</sup> mm<sup>-1</sup> (3.4 times higher than the PdNCs), outstanding selectivity and robust stability. The outstanding performance of the BFCs-based SPBs system can be attributed to the synergistic cooperation between the PdNCs and AuNCs. Nanoclusters ; Glucose oxidase ; Materials science ; Biosensor ; Nanotechnology ; Catalysis ; Heterojunction ; Anode ; Chemical engineering ; Optoelectronics ; Electrode ; Chemistry ; Biochemistry Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Advanced biosensing and bioanalysis techniques
Authors: Lucrezia Caselli | Lucia Paolini | Wye‐Khay Fong | Costanza Montis | Andrea Zendrini | Jacopo Cardellini | Paolo Bergese | Debora Berti
Source: Nanoscale Horizons (review, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The gold nanoparticle–lipid membrane synergy for nanomedical applications The integration of gold nanoparticles (AuNPs) with lipid bilayers gives rise to powerful synergistic effects arising from nanoscale interactions. Precise control over these interactions enables the rational design of hybrid AuNP-lipid membrane multifunctional composites, unlocking advanced analytical tools and cutting-edge biomedical applications. From a materials design standpoint, functionalizing AuNPs with lipid membranes reduces cytotoxicity and enhances stability in complex biological environments. This biomimetic strategy also enables precise modulation of interactions at biological interfaces, opening new avenues to endow AuNPs with selective recognition and targeting abilities. Importantly, the combination leads to emergent collective behaviors. For instance, the self-assembly of AuNPs on lipid membranes creates plasmonic 'hot spots' that amplify Raman signals for ultrasensitive SERS-based diagnostics. Membrane-embedded AuNPs can also act as nanoscale heaters, enabling spatiotemporally controlled drug release through light-triggered lipid phase transitions or nanomechanical disruption of the lipid carriers. Furthermore, membrane-mediated AuNP clustering enhances magnetic, catalytic, and optical responses, contributing to the development of smart nanomotors and multifunctional therapeutic platforms. These synergistic functionalities arise specifically from the interplay between AuNPs and lipid architectures and cannot be replicated by either system alone. This review critically explores the functional synergy between AuNPs and lipid membranes, highlights recent key advancements, addresses current challenges, and outlines innovative applications in nanomedicine, including targeted drug delivery, photothermal therapy, and biomolecular sensing. Colloidal gold ; Nanoparticle ; Nanoscopic scale ; Nanotechnology ; Materials science ; Lipid bilayer ; Membrane ; Chemistry ; Biochemistry Gold and Silver Nanoparticles Synthesis and Applications ; Lipid Membrane Structure and Behavior ; Advanced biosensing and bioanalysis techniques
Authors: Nurjahan Khatun | Agnes C. Nkele | Kushal Bagchi
Source: Physical Chemistry Chemical Physics (review, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Liquid crystals as solid-state templates Liquid crystals (LCs) combine the anisotropy of crystals with the fast molecular dynamics of liquids. Controlling the molecular orientation of LCs is the key enabling feature of liquid crystal displays (LCDs), a technology that has played a pivotal role in ushering in the digital age of today. Here we review controlling molecular organization in LCs over large distances for a different application: the assembly of macroscopically organized solids. The traditional approach of controlling orientational order in organic solids is growing single crystals, a process limited by slow kinetics. In this article, we review an alternate approach: the generation of organized solids through the (i) polymerization, (ii) physical gelation, and (iii) vitrification of small-molecule LCs. The generation of solids through these routes is enabled by innovations in (i) molecular design, (ii) formulation chemistry, and (iii) macroscopic alignment of LCs. Controlling molecular orientation, defects, and deformations in the precursor LC phase enables the assembly of solids with unique properties such as programmable responses to stimuli. We discuss the "organize and solidify" approach for the preparation of materials with LC order for soft robotics, chemical sensing, and lithographic patterning. Finally, we outline future challenges and opportunities in the field of liquid crystalline solids. Template ; Solid-state ; Materials science ; Nanotechnology ; State (computer science) ; Crystallography ; Chemical engineering ; Chemistry ; Computer science ; Physical chemistry ; Engineering Liquid Crystal Research Advancements ; Surfactants and Colloidal Systems ; Block Copolymer Self-Assembly
Authors: Akhtar Alam | Pekham Chakrabortty | Avanti Chakraborty | Samrat Ghosh | Pradip Pachfule
Source: ChemCatChem (article, 2025-07-17)
Field: Materials Science — Materials Chemistry

Donor–Acceptor Covalent Organic Frameworks for Photocatalytic Water Oxidation and Oxygen Reduction Reactions Abstract Covalent organic frameworks (COFs) are considered as the next generation of organic photocatalysts for the conversion of solar energy into fuels or chemicals. Compared to the traditional heterogeneous photocatalysts, COFs have emerged as organic photocatalysts and have been tested for various photocatalytic transformations such as hydrogen evolution, hydrogen peroxide generation, carbon dioxide reduction and organic transformations. In particular, donor–acceptor (D–A) COFs showed enhanced photocatalytic activity, where electron‐rich donor (D) and electron‐deficient acceptor (A) are alternately arranged in the framework. The high photocatalytic activity of D–A COFs is attributed to the tunable band gap, efficient charge separation and charge transport through the bicontinuous heterojunction. In recent years, several D–A COFs have been reported for photocatalytic reactions, especially tested for photocatalytic generation of hydrogen and hydrogen peroxide involving water oxidation and oxygen reduction reactions. In this review, we have summarized these reports and presented a critical perspective with the fundamental understanding of D–A COFs. In addition, this review discusses the different design principles adopted and the synthesis of crystalline D–A COFs with different linkages and their effect on the photocatalytic efficiency. Finally, this review will provide an overview of the design of D–A COFs for photocatalysis, addressing the challenges and opportunities involved. Photocatalysis ; Water splitting ; Electron acceptor ; Photochemistry ; Photocatalytic water splitting ; Hydrogen peroxide ; Covalent bond ; Oxygen evolution ; Chemistry ; Materials science ; Acceptor ; Nanotechnology ; Catalysis ; Organic chemistry ; Electrochemistry Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Ren‐Bin Zhou | Xiaoli Lu | Xuefeng Zhou | Xuejiao Liu | Shanmin Wang | Tymish Y. Ohulchanskyy | Da‐Chuan Yin | Junle Qu
Source: Aggregate (article, 2025-06-03)
Field: Materials Science — Materials Chemistry

Cross‐Linked Protein Crystals With an Intense Nonconventional Full‐Color Photoluminescence Originating From Through‐Space Intermolecular Interaction ABSTRACT The emergence of nonconventional luminescent materials (NLMs) has attracted significant attention due to their sustainable synthesis and tunable optical properties. Yet, establishing a clear structure–emission relationship remains a challenge. In this work, we report a previously unknown class of NLMs: cross‐linked protein crystals that exhibit intense photoluminescence (PL) in the visible range (425–680 nm). We systematically investigated seven natural protein crystals (concanavalin, catalase, lysozyme, hemoglobin, α‐chymotrypsin, pepsin, and β‐lactoglobulin) cross‐linked with glutaraldehyde and demonstrated that cross‐linking induces broadband emission that is absent in natural crystals. Focusing on polymorphic lysozyme crystals (tetragonal, orthorhombic, and monoclinic), we found excitation‐dependent fluorescence with lifetimes in the nanosecond range and quantum yields up to 20% (in the monoclinic phase under 450 nm excitation). Single‐ and two‐photon spectroscopy, as well as pressure‐ and solvent‐modulated PL studies, confirm that the emission is due to intermolecular through‐space interactions (TSI) within the crystal lattice. Compression enhances TSI and redshifts the emission, whereas the solvent (DMSO)‐induced swelling reduces TSI and causes a blue shift, establishing a direct structure–emission correlation. This work establishes protein crystals as programmable NLMs with tunable emission and provides a mechanistic framework for the design of nonconventional luminogens through protein crystal engineering. Intermolecular force ; Photoluminescence ; Space (punctuation) ; Intermolecular interaction ; Crystallography ; Materials science ; Chemical physics ; Physics ; Condensed matter physics ; Molecular physics ; Optics ; Chemistry ; Quantum mechanics ; Molecule ; Computer science Luminescence and Fluorescent Materials ; Carbon and Quantum Dots Applications ; Quantum Dots Synthesis And Properties
Authors: Omar Samir Mohamed Megahed Saleh Elmitwalli | Deyari Azad Kareem Kassim | Ahmed Taymour Algahiny | Fryad Henari
Source: Nanotechnology Science and Applications (review, 2025-02-01)
Field: Materials Science — Materials Chemistry

Green Synthesis of Metal Nanoparticles Using Cinnamomum-Based Extracts and Their Applications <i>Cinnamomum</i> species have been successfully utilised in the green synthesis of various MNPs. Silver and Gold NPs were the most reported. These MNPs proved their efficacy in multiple fields of medicine and biology, especially their antibacterial, antiviral and antifungal activity. Notably, the newly synthesised NPs showed promising results in treating polycystic ovarian syndrome in rats. Nanoparticle ; Nanotechnology ; Cinnamomum ; Metal ; Materials science ; Metallurgy ; Medicine Nanoparticles: synthesis and applications ; Nanomaterials for catalytic reactions ; Nanotechnology research and applications
Authors: Saadi Berri
Source: Modern Electronic Materials (article, 2025-04-11)
Field: Materials Science — Materials Chemistry

Evaluating hydrogen storage potential of Cs2ABH6: DFT-based approach In the current investigation, we have implemented first-principles calculations to examine the structural, elastic, electrical and optical characteristics of Cs 2 AB H 6 (AB = AlGa, AlIn, AlTl, NaAl, NaGa, NaIn and TlIn). All of the calculations were performed out using first-principles density functional theory (DFT). The space group Fm -3 m (225) has been used. The computed values of lattice parameters are Cs 2 AlGaH 6 : 0.8739 nm, Cs 2 AlInH 6 : 0.8923 nm, Cs 2 AlTlH 6 : 0.8953 nm, Cs 2 NaAlH 6 : 0.8669 nm, Cs 2 NaGaH 6 : 0.8688 nm, Cs 2 NaInH 6 : 0.8960 nm, Cs 2 TlGaH 6 : 0.8938 nm and Cs 2 TlInH 6 : 0.9258 nm and also it is observed that the volume and density are inversely associated with each other. In addition, the computed band-gap values for Cs 2 AlInH 6 , Cs 2 AlTlH 6 , Cs 2 NaAlH 6 , Cs 2 NaGaH 6 , Cs 2 NaInH 6 , Cs 2 TlGaH 6 and Cs 2 TlInH 6 and Cs 2 YAuCl 6 are 1.21, 1.66, 2.58, 1.32, 1.42, 0.94 and 0.91 eV, respectively, which demonstrates the indirect semiconducting nature. Between 0 and 20 eV, optical spectra calculations are made, taking into account the real and imaginary parts of the dielectric function e(?), reflectivity R (?), index of refraction n (?), coefficients of extinction k (?) and absorption a(?). The dielectric function is wide close to the ultraviolet districts (3.10–4.13 eV). The extinction coefficient of the Cs 2 AB H 6 has the ability to worn for implements like Bragg’s reflectors, optical and optoelectronic equipments. The optical parameters of Cs 2 AB H 6 disclose that our working constructions have an elevated dielectric constant, with a greatest absorption in the visible range holding out over 2.45·10 5 cm -1 . All three compounds fulfil the Born stability condition. The gravimetric hydrogen storage capacities of Cs 2 AlInH 6 , Cs 2 AlTlH 6 , Cs 2 NaAlH 6 , Cs 2 NaGaH 6 , Cs 2 NaInH 6 , Cs 2 TlGaH 6 and Cs 2 TlInH 6 compounds are 1.64, 1.20, 1.88, 1.66, 1.48, 1.02, 1.11 and 1.20 wt.%, respectively. Cs 2 ABH 6 crystals are dynamically stable. Materials science ; Hydrogen storage ; Optoelectronics ; Computer science ; Metallurgy Hydrogen Storage and Materials ; Nuclear Materials and Properties ; Inorganic Chemistry and Materials
Authors: Arnau Call | Andrea Palone | Jordan P. Liles | Natalie P. Romer | Jacquelyne A. Read | Josep M. Luis | Matthew S. Sigman | Massimo Bietti | Miguel Costas
Source: ACS Catalysis (article, 2025-01-22)
Field: Chemistry — Organic Chemistry

Understanding Catalytic Enantioselective C–H Bond Oxidation at Nonactivated Methylenes Through Predictive Statistical Modeling Analysis Enantioselective C(sp<sup>3</sup>)-H bond oxidation is a powerful strategy for installing functionality in C(sp<sup>3</sup>)-H rich molecules. Site- and enantioselective oxidation of strong C-H bonds in monosubstituted cyclohexanes with hydrogen peroxide catalyzed by aminopyridine manganese catalysts in combination with alkanoic acids has been recently described. Mechanistic uncertainties and nonobvious enantioselectivity trends challenge development of the full potential of this reaction as a powerful synthetic tool. Herein, we apply predictive statistical analysis to identify mechanistically informative correlations that provide valuable reaction understanding and will guide the future development and optimization of enantioselective C-H oxidation reactions. Enantioselective synthesis ; Catalysis ; Chemistry ; Organic chemistry ; Stereochemistry Oxidative Organic Chemistry Reactions ; Catalysis and Oxidation Reactions ; Catalytic C–H Functionalization Methods
Authors: Xiaoxin Chen | Jun Huang | Guoju Yang
Source: Catalysts (article, 2025-02-21)
Field: Materials Science — Materials Chemistry

Advances and Challenges in Zeolite-Based Catalysts for the Selective Catalytic Oxidation of Ammonia Ammonia (NH3) emissions from mobile sources pose significant environmental challenges, contributing to air pollution, ecosystem degradation, and climate change. The selective catalytic oxidation of NH3 (NH3-SCO) offers a sustainable solution by converting NH3 into nitrogen and water, yet designing catalysts that balance high efficiency, selectivity, and stability under operational conditions remains a critical challenge. This review provides a comprehensive overview of zeolite-based catalysts, renowned for their high surface area, tunable pore structures, and exceptional hydrothermal stability, which make them ideal for NH3-SCO applications. The review synthesizes recent advancements in catalyst design, emphasizing innovative architecture, the role of zeolite frameworks in active site dispersion, and strategies for optimizing catalytic architectures. Key insights include an enhanced understanding of NH3-SCO reaction mechanisms, progress in mitigating catalyst deactivation caused by poisoning and sintering, and the development of bimetallic and core-shell catalysts to improve performance and durability. Current limitations, including the sensitivity of catalysts to operational environments and scalability issues, are critically analyzed, and potential strategies for overcoming these barriers are proposed. This review highlights the state-of-the-art in zeolite-based NH3-SCO catalysis, offering valuable insights into the fundamental and applied aspects of catalyst design. The findings presented here provide a roadmap for future innovations in environmental catalysis, paving the way for more efficient and robust solutions to ammonia emission control. Catalysis ; Zeolite ; Ammonia ; Chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Ammonia Synthesis and Nitrogen Reduction ; Catalysis and Oxidation Reactions
Authors: Houman Kholafazad Kordasht | Parinaz Bahavarnia | Farnaz Bahavarnia | Mohammad Hasanzadeh | Nasrin Shadjou
Source: RSC Advances (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Exploring the frontiers of emerging sensing of silver nanoprisms: recent progress and challenges In recent years, the development and use of nanomaterials have transformed numerous aspects of biomedical science. Nanomaterials have played a pivotal role in advancing disease diagnosis and treatment across a wide range of applications. Within this scope, silver nanoprisms (AgNPrs) stand out due to their remarkable properties, such as extensive surface area, chemical robustness, and tunable electrical conductivity, making them excellent candidates for biomedical purposes. By tailoring these nanomaterials through functionalization or coating surface, their multifunctionality can be enhanced, unlocking new opportunities for their application in areas such as diagnosis, imaging, and therapeutic intervention. This review begins with an overview of AgNPrs' synthesis techniques and their unique physicochemical characteristics. Recent advancements in analytical methods utilizing AgNPrs, categorized by sensing mechanisms such as optical and electrochemical approaches, are highlighted in the context of diagnostics. Lastly, the challenges and future prospects of bringing AgNPr-based technologies to commercialization and integrating them into disease diagnostics and medical treatment are explored. The integration of AgNPrs in disease therapy holds promise for the development of advanced chemotherapy agents that effectively address the challenges of efficient cancer treatment looking ahead, the ongoing advancement of nanocarrier systems comprising AgNPrs-based molecules holds great promise for improving the quality of life for patients worldwide. Nanotechnology ; Nanomaterials ; Data science ; Computer science ; Materials science Advanced Nanomaterials in Catalysis ; Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications