jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Aleksandra Drozd-Rzoska | J. Łoś | Sylwester J. Rzoska
Source: Nanomaterials (article, 2025-04-13)
Field: Materials Science — Materials Chemistry

The Impact of Nanoparticles on Previtreous Behavior: Glass-Forming Nematogenic E7 Mixture-Based Nanocolloids This report discusses the impact of nanoparticles on glass-forming systems composed of a liquid crystalline (LC) mixture E7 and paraelectric BaTiO<sub>3</sub> particles (d≈50 nm, globular), tested via broadband dielectric spectroscopy. In the isotropic phase, critical changes in the dielectric constant are shown. They are related to the weakly discontinuous nature of the isotropic-nematic transition. In the nematic phase, two primary relaxation times/processes and DC electric conductivity are considered, down to the glass temperature Tg. The prevalence of portrayals via the 'double exponential' MYEGA equation and the critical & activated Drozd-Rzoska relation for dynamic properties are shown. For the primary loss curve, critical-like changes of its maximum (peak) are evidenced: εpeak″∝1/T-Tg* for Tg<T<Tg+25 K, where Tg*<Tg denotes the extrapolated singular temperature. Dielectric constant monitoring revealed the permanent arrangement of rod-like LC molecules by nanoparticles' endogenic impact in the nematic phase. The heuristic model regarding this unique behavior is presented. It considers a hypothetical link between the glass transition and a hidden near-critical discontinuous phase transition, uniquely avoiding a symmetry change. The uniaxiality of LC molecules enables the detection of critical-like features when approaching the glass transition, hypothetically associated with a specific 'amorphous' phase transition. Materials science ; Nanoparticle ; Chemical engineering ; Nanotechnology Material Dynamics and Properties ; Pickering emulsions and particle stabilization ; Liquid Crystal Research Advancements
Authors: Anthony Perez | Jianfang Liu | Adekunle Adewole | Gang Ren | Andrea D. Merg
Source: ChemRxiv (preprint, 2025-05-15)
Field: Materials Science — Biomaterials

Mesoporous Frameworks Assembled from Amphiphilic Collagen-Mimetic Peptides The rational design of porous frameworks with defined pore dimensions and surface chemistry is a critical step toward their implementation in diverse applications. While traditional porous materials are typically constructed from abiotic components, there is increasing interest in using biologically derived building blocks (e.g., peptides and proteins) that offer un-matched structural and functional diversity. Here, we report the construction of crystalline mesoporous frameworks that are self-assembled from amphiphilic collagen-mimetic peptides (aCMPs). These aCMPs consist of charge-segregated collagen-mimetic peptides (CMPs) modified with lipid tails at their N-termini. Through hydrophobic and electrostatic interactions, aCMPs organize into extended, three-dimensional (3D) porous architectures. Comprehensive structural characterization using transmission electron microscopy (TEM), cryogenic TEM (cryo-TEM), and small/wide-angle x-ray scattering (SAXS/WAXS) reveals that these frameworks exhibit hexagonally arranged mesopores with diameters of approximately 3 nm. Circular dichroism (CD) spectroscopy indicates significant disruptions to the canonical collagen triple helix structure of the CMP domains, likely due to the packing of alkyl chains within hydrophobic cores. Notably, the crystal size and lattice packing parameters can be systematically tuned by varying the length of the lipid tail (C12, C10, C8), while shortening the chain further (to C6) leads to the emergent formation of nanosheets. These observations highlight the importance of balancing electrostatic and hydrophobic interactions to promote long-range order. Based on our findings, we propose a “hub and spoke” assembly model wherein hexagonally packed hydrophobic domains (“hubs”) are interconnected by antiparallel-aligned CMP domains (“spokes”), resulting in the observed supramolecular architecture. Overall, this work introduces a new class of mesoporous frameworks, derived from synthetically accessible, sequence-programmable peptide amphiphiles, representing a significant step forward in expanding the architectural footprint of peptide-based materials and their corresponding application potential. Amphiphile ; Mesoporous material ; Chemistry ; Materials science ; Nanotechnology ; Biophysics ; Biochemistry ; Organic chemistry ; Copolymer ; Polymer ; Biology ; Catalysis Collagen: Extraction and Characterization ; Supramolecular Self-Assembly in Materials
Authors: Chen Ma | Fanguang Zeng | Shenbo Yang
Source: Crystals (article, 2025-02-18)
Field: Materials Science — Materials Chemistry

Adsorption and Decomposition Mechanisms of Vapor Growth Carbon Fiber on SiO2 in Non-Catalytic Conditions: A First-Principles Study In this study, the authors employed first-principles calculations to investigate the adsorption and decomposition processes involved in non-catalytic growth of vapor-growth carbon fiber (VGCF) using a non-catalytic growth method. The adsorption and decomposition mechanisms of methane and its decomposition products on the substrate were investigated with the adsorption energy, transition state analysis, and projected density of states (PDOS). The results indicated that the surface adsorption difficulty for CH4 and its decomposition products followed the following order: H &gt; CH4 ≈ CH3 &gt; CH2 &gt; CH &gt; C. The adsorption energy analysis indicates that the adsorption of CH4, CH3, and H is classified as physical adsorption, whereas the adsorption of CH2, CH, and C is classified as chemical adsorption. Adsorption of all particles is exothermic and adsorption can occur. The transition state calculations indicate that the decomposition of CH4 is the rate-determining step in the decomposition reaction. PDOS analysis not only verified the results of adsorption energy analysis but also investigated the effect of adsorption particles. This work is helpful for advancing the application of non-catalytic growth processes to the synthesis of VGCF and enhancing the understanding of the mechanisms governing non-catalytic VGCF formation. Decomposition ; Adsorption ; Catalysis ; Materials science ; Fiber ; Chemical engineering ; Chemistry ; Composite material ; Physical chemistry ; Organic chemistry ; Engineering Catalytic Processes in Materials Science ; Graphene research and applications ; Gas Sensing Nanomaterials and Sensors
Authors: P. Armand | R. Escalier | Michel Ramonda | Marianne Bigot-Astruc | Richard Arinero | A. Piarristeguy
Source: Materials Today Communications (article, 2025-05-01)
Field: Materials Science — Materials Chemistry

Modulation of structural, optical, and dielectric properties of GeTe1-Se amorphous films with the Se content x (0 ≤ x ≤1) The amorphous compositions within the Ge–Te–Se ternary system hold significant potential for various technological applications including optical / electrical data storage. Semiconducting GeTe 1- x Se ₓ (0 ≤ x ≤ 1) films, with a thickness of 3 µm, were synthesized in their amorphous phase via the co-evaporation deposition method onto glass substrates. A systematic investigation of the evolution of the short-range structural order with varying Se content was carried out using fluorescence-like X-ray Absorption Near Edge Structure (XANES) spectroscopy at the Ge and Se K-edges, providing new insight into the local bonding environment across the entire compositional range. To study the optical characteristics of these films, transmittance measurements were performed in the visible to near-infrared (Vis-NIR) spectral range. The indirect E g opt optical bandgap energies were determined through Tauc plot analysis, revealing a progressive augmentation of the indirect bandgap value with increasing selenium concentration. The optical refractive indexes obtained as a function of wavelengths, which also showed a decrease with x , allowed us to determine the relative permittivity ε r ∞ . Most notably, the local static relative permittivity ε r 0 was quantified for the first time in this system using electrostatic force microscopy (EFM) coupled with finite element simulations. The results reveal a strong compositional dependence of ε r 0 , correlating with the evolution of both structural and optical properties. Altogether, this study offers a comprehensive and original multi-scale analysis of GeTe₁₋ₓSeₓ thin films, combining local structural, optical, and dielectric characterizations to better understand the role of composition in tuning their functional properties. ● Ge and Se local structural evolution with x in the GeTe 1- x Se x amorphous films. ● The refractive indexes n , obtained as a function of wavelengths, decrease with x . ● Augmentation of the E g opt optical bandgap value with increasing Se concentration. ● Compositional dependence of the static relative permittivity ε r . 0 Materials science ; Amorphous solid ; Dielectric ; Modulation (music) ; Content (measure theory) ; Optoelectronics ; Crystallography Phase-change materials and chalcogenides ; Chalcogenide Semiconductor Thin Films ; Solid-state spectroscopy and crystallography
Authors: Hayato Yamada | Ryuto Kojo | Takafumi Shiraogawa | Daisuke Shimizu | Daiki Imoto | Nhat Le | Ayato Sato | Atsushi Usami | Jun‐ya Hasegawa | Lawrence T. Scott | Kazuma Amaike | Kenichiro Itami
Source: ChemRxiv (article, 2025-08-30)
Field: Materials Science — Biomaterials

A bioactive nanocarbon that targets cross-species protein–protein interactions The quest for bioactive molecules has long been confined to a rather narrow chemical space, limiting the discovery of uncharted chemical structures. Identifying such compounds is essential for uncovering previously unrecognized mechanisms of action and addressing limitations in conventional drug discovery. Here we unveil molecular nanocarbons, nanometer-scale, rigid, π-extended, and carbon-rich/hydrophobic frameworks widely studied in materials science, as a previously untapped class of bioactive agents capable of modulating protein–protein interactions (PPIs). We discovered a molecular nanocarbon that inhibits structurally conserved ligand–receptor pairs in insect diapause signaling (the ligand PND and its receptor PND-2) and human immune signaling (IL-17A and its receptor IL-17RA). The discovered planar nanocarbon compound, named clionene, disrupts both interactions, outperforming the flavonoid cyanidin in potency and selectivity. Structural modeling and molecular dynamics simulations reveal that clionene binds to a hydrophobic pocket at the IL-17A/IL-17RA interface via shape complementarity and π-interactions. These findings establish molecular nanocarbons as bioactive modulators of conserved PPIs, expanding the accessible chemical space for drug discovery and opening unconventional directions in cross-kingdom therapeutic targeting. Chemistry ; Protein–protein interaction ; Nanotechnology ; Biophysics ; Biochemistry ; Materials science ; Biology Nanoparticle-Based Drug Delivery
Authors: Bruna Fleck Godoi | Jéssica D. Bueno | Weslley Pereira da Silva | Aline Dias da Purificação | Pedro Nuno Leite | Thiago dos Santos | Murillo V. Freitas | Daniel Gedder Silva | Taís C. Silva | Josué de Moraes | Caroline S. de Freitas | Mayara Mattos | Thiago Moreno L. Souza | Bianca Aparecida Martin | Renata Fonseca Vianna Lopez | Maria Cristina Nonato | Carolina Horta Andrade | Flávio da Silva Emery
Source: ACS Medicinal Chemistry Letters (article, 2025-09-16)
Field: Chemistry — Organic Chemistry

Quinazolinones as Bioisosteres of Naphthoquinones: A Path to Potent <i>Hs</i> DHODH Inhibitors with Optimized Properties Human dihydroorotate dehydrogenase (<i>Hs</i>DHODH) is a key enzyme in pyrimidine biosynthesis and a target for antiviral therapies against RNA viruses like SARS-CoV-2. Building on prior quinone-based inhibitors, we explored quinazol-inones as bioisosteric replacements to reduce cytotoxicity and off-target effects. Through structure-based design, we synthesized quinazol-inone derivatives aimed at maintaining critical binding interactions. First-generation compounds showed moderate <i>Hs</i>DHODH inhibition (up to 60% at 250 μM), with compound <b>10c</b> having an IC<sub>50</sub> of 25 μM. Using computational modeling, we optimized second-generation derivatives, with <b>10e</b> showing the highest potency (IC<sub>50</sub> = 0.59 ± 0.03 μM) and significant antiviral activity against SARS-CoV-2 (EC<sub>50</sub> = 0.15 ± 0.03 μM). These compounds demonstrated improved selectivity compared to naphtho-quinone analogs, though challenges with aqueous solubility remain. These results highlight quinazol-inones as promising scaffolds for further development of anti-SARS-CoV-2 therapies targeting <i>Hs</i>DHODH. Dihydroorotate dehydrogenase ; Pyrimidine ; Cytotoxicity ; Potency ; Pyrimidine metabolism ; Enzyme ; Drug discovery Quinazolinone synthesis and applications ; Synthesis and Biological Evaluation ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Aditya Pratap Singh | Mohammed Al‐Zharani | Fahd Ahmed Nasr | Lina M. Alneghery | Ashutosh Srivastava | H. R. Singh | Arup Kr. Saha | Siddhartha Singh | Bhanu Prakash Mishra | Jayanthi Barasarathi | R. Z. Sayyed
Source: Nanotechnology Reviews (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Beyond science: ethical and societal considerations in the era of biogenic nanoparticles Abstract The era of biogenic nanoparticles (BNPs) marks a transformative period in nanotechnology, leveraging plants, bacteria, and fungi to synthesize nanoparticles. This green approach offers significant advantages, including enhanced biocompatibility, sustainability, and a wide range of diverse applications. The introduction of BNPs into ecosystems and their interactions with biological systems pose potential risks that demand rigorous testing and stringent regulatory oversight. Furthermore, in medical applications, the principle of informed consent is paramount, ensuring that patients are fully informed about the benefits and potential risks of BNP-based treatments. Environmental pollution and its impact is another critical area of concern. While BNPs are often promoted as environmentally friendly alternatives, their long-term effects on ecosystems remain insufficiently understood. The rapid advancement and integration of BNPs across sectors necessitate a comprehensive examination of the ethical and societal considerations to mitigate unforeseen consequences. From a societal perspective, it is crucial to ensure that the benefits of BNPs are universally accessible. Effective communication strategies are vital for establishing public trust and dispelling misconceptions, thereby promoting an informed and supportive societal response. Adaptive regulatory frameworks tailored to the unique challenges of BNPs are a must to ensure the responsible and sustainable benefits of BNPs. Ethical issues ; Transformative learning ; Ecosystem services ; Sustainability ; Sustainable development ; Societal impact of nanotechnology ; Environmental impact assessment ; Environmental pollution Nanoparticles: synthesis and applications ; Graphene and Nanomaterials Applications ; Melamine detection and toxicity
Authors: Nandhini Chitikela | B Chaitanya
Source: Journal of Pharma Insights and Research. (article, 2025-02-05)
Field: Materials Science — Biomaterials

Current Advances in Nanotechnology-Based Drug Delivery Systems Nanotechnology is a revolutionary trend in pharmaceutical sciences, particularly in drug delivery systems. The usage of nanoscale materials and devices in medicine has revolutionized therapeutic strategies across various diseases, from cancer to cardiovascular disorders. Nanocarrier systems, ranging from 1-100 nanometers, demonstrate remarkable capabilities in enhancing drug solubility, bioavailability, and targeted delivery. These systems include micelles, liposomes, dendrimers, carbon nanotubes, metallic nanoparticles, and quantum dots, each offering unique advantages in drug encapsulation and delivery. The application of both passive and active targeting mechanisms has enabled precise drug delivery to specific tissues while minimizing systemic exposure. Novel delivery approaches such as self-nano-emulsions provide protective measures for drugs, enhance their properties, and facilitate controlled release at targeted sites. The therapeutic applications span across multiple medical conditions, including gastrointestinal disorders, bone regeneration, retinal diseases, diabetes, tuberculosis, and cancer. Despite remarkable progress, challenges remain in scaling up production, ensuring safety, and navigating regulatory requirements. The convergence of nanotechnology with other cutting-edge fields presents opportunities for developing more sophisticated drug delivery platforms. The successful implementation of these nanosystems has demonstrated reduced side effects, improved therapeutic efficacy, and enhanced patient outcomes, marking a significant advancement in pharmaceutical technology and patient care. Drug delivery ; Nanotechnology ; Drug ; Current (fluid) ; Computer science ; Engineering ; Medicine ; Materials science ; Pharmacology Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Graphene and Nanomaterials Applications
Authors: Soroush Naseri | Vincent L. Pecoraro
Source: Frontiers in Chemical Biology (article, 2025-12-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Metallacrowns: an ideal platform for accessing lanthanide luminescence Metallacrowns (MCs) are a distinctive class of metallamacrocycles that serve as inorganic counterparts to the well-known crown ethers, in which the characteristic –[C–O–O]– repeating units are replaced by –[M–N–O]– motifs. Much like their organic analogues, the donor oxygen atoms within the MC framework can capture cations in the central cavity. The modifiable nature of MCs provides remarkable structural diversity, as both ring-forming ligands and metal ions can be varied to tune and modify the chemical and physical properties of corresponding MC. In this minireview, we focus specifically on metallacrowns bearing gallium(III) as the ring metal, highlighting their structural versatility as well as the properties and applications of Ga III -Ln III heterometallic MCs. We begin by introducing the first Ga III -based MC and trace the structural evolution of this family of MCs toward systems incorporating Ln III ions with intriguing photophysical properties that open avenues for diverse functional and applied uses. Lanthanide ; Luminescence ; Ideal (ethics) ; Ion ; Ring (chemistry) ; Metal ; Metal ions in aqueous solution ; TRACE (psycholinguistics) Magnetism in coordination complexes ; Metal-Organic Frameworks: Synthesis and Applications ; Organic Light-Emitting Diodes Research
Authors: Volodymyr Zolotaryov | Olena Chulieieva | T. Yu. Antonets
Source: Eastern-European Journal of Enterprise Technologies (article, 2025-06-17)
Field: Materials Science — General Materials Science

Estimating the influence of polyorganosiloxanes on the properties of fire-retardant halogen-free polymer compositions for cable articles The object of this study is the processes of supramolecular structure formation and the thermophysical, rheological, physical-mechanical, and electrophysical properties of halogen-free fire-resistant polymer compositions. Aluminum oxide trihydrate is used as a flame retardant. The effect of the flame-retardant filler becomes noticeable only with a significant filling (60%), when the rheological and operational properties of polymer compositions deteriorate. The use of polyorganosiloxanes makes it possible to reduce the negative impact of the filler on the thermophysical, rheological, physical-mechanical, and electrophysical properties. Therefore, the effective use of polyorganosiloxanes to regulate the properties of fire-resistant polymer compositions is an urgent task under consideration. Fire retardant halogen-free polymer compositions were studied. The content of the flame-retardant filler is 60%. The samples under study additionally contain polyorganosiloxanes, which were used as modifiers for the directed regulation of properties of fire retardant compositions. The effect of polyorganosiloxanes on the formation of the supramolecular structure of filled polymer compositions for cable articles has been established. Due to this, the phase transition temperatures increase by 2–4°C, the temperature of the beginning of decomposition by 12–17°C and the end of decomposition by 5–6°C. The effect of the influence of polyorganosiloxanes with a viscosity of 50–500 Pa·s on a decrease in the melt viscosity of fire retardant polymer compositions from 5.342 to 4.330 Pa·s with an increase in the shear rate from 20 to 60 s-1 has been shown. The results make it possible to use polyorganosiloxanes for targeted regulation of rheological and operational characteristics of fire-resistant polymer compositions for the manufacture of insulation and sheath of power cables Fire retardant ; Halogen ; Polymer ; Forensic engineering ; Materials science ; Polymer science ; Composite material ; Chemistry ; Engineering ; Organic chemistry Material Properties and Applications ; Flame retardant materials and properties ; Polymer Science and Applications
Authors: Hyunho Lee
Source: International Journal of Molecular Sciences (review, 2025-10-28)
Field: Materials Science — Materials Chemistry

Degradation Mechanisms in Quantum-Dot Light-Emitting Diodes: A Perspective on Nondestructive Analysis Quantum-dot light-emitting diodes (QLEDs) have emerged as promising candidates for next-generation display technologies owing to their high color purity and external quantum efficiency. Despite rapid advancements in device performance, operational stability and long-term reliability remain critical challenges, particularly for cadmium-free and blue-emitting QLEDs. This review provides a comprehensive overview of the degradation mechanisms of QLEDs, emphasizing the relationship between environmental factors, such as moisture, oxygen, and thermal stress, and excitonic factors, including charge-injection imbalance, Auger recombination, and interface deterioration. We further highlight the role of nondestructive characterization techniques, including impedance spectroscopy, Fourier transform infrared spectroscopy, transient photoluminescence, transient electroluminescence, transient absorption, and electroabsorption spectroscopy, in probing real-time charge dynamics and material degradation. By integrating the insights from these operando analyses, this review offers a detailed perspective on the origins of device degradation and provides guidance for rational design strategies aimed at enhancing the operational stability and commercialization potential of QLEDs. Transient (computer programming) ; Reliability (semiconductor) ; Degradation (telecommunications) ; Characterization (materials science) ; Diode ; Commercialization ; Interface (matter) ; Perspective (graphical) Quantum Dots Synthesis And Properties ; Semiconductor Quantum Structures and Devices ; Silicon Nanostructures and Photoluminescence