jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Z. R. Faizullina | A. A. Zhilenko | Almaz Kh. Islamgulov | Ekaterina Evgenievna Chernaya | A. I. Tochieva | A. A. Sanova | D. A. Dryaeva | S. Sh. Khaknazarov | T. R. Gazizov | M. M. Otadzhonov | Kh. A. Merzhoeva | E. V. Malikova | V. A. Glazepa | A. K. Matviets
Source: Obstetrics Gynecology and Reproduction (article, 2025-04-09)
Field: Materials Science — Materials Chemistry

The role of nanotechnologies in diagnostics and treatment of female reproductive system cancer Introduction . By enhancing detection accuracy, therapeutic effectiveness and minimizing side effects, nanotechnology may contribute to improve diagnostics and treatment of patients with female reproductive system cancer. Aim : to summarize current literature data and assess а role of nanotechnology in treatment of cervical cancer (CC), ovarian cancer (OC), endometrial cancer (EC) and reveal gaps requiring further research. Materials and Methods . The search was carried out in the electronic databases PubMed/MEDLINE, Google Scholar and eLibrary using the following keywords: “gynecological cancer”, “targeted therapy”, “cervical cancer”, “ovarian cancer”, “endometrial cancer”, “nanotechnology”, “nanoparticles”. All works were published between 2011 and 2024. Results . Nanocarrier-based drug delivery systems represent a promising approach to the treatment of female reproductive system oncology, providing precise drug delivery directly to tumor cells. Such systems, including liposomes, nanoparticles, micelles, and dendrimers, are characterized by advanced efficiency, reduced toxicity, as well as the opportunity for controlled release of active components. Nanotechnologies increase the effectiveness of vaccines by prolonging their half-life, affect the СС microenvironment and potentiate the antitumor immune response with minimal toxicity. Nanovaccines are capable of delivering antigens and adjuvants directly to immune cells, enhancing immune response and improving ОС treatment results. Nanotechnologies show prominent potential in improving EC treatment despite that their role in this context remains understudied compared to other types of female reproductive system cancer. Conclusion . Nanoparticles can carry both conventional drugs as well as protein- and nucleic acid-based systems directly to cancer cells. However, only a few nanoparticle-based treatments for female reproductive system cancer have been approved for use. The field is making significant progress toward more effective and widely available treatments. Medicine ; Female reproductive system ; Gynecology ; Cancer ; Internal medicine ; Oncology Nanoparticles: synthesis and applications ; Nanoparticle-Based Drug Delivery ; Cancer Research and Treatment
Authors: Yao Ou | Qin Luo | Wenhui Zeng | Yiyun Tang | Jie Hu | Chun Liu | Yan Ma | Hanfu Xu
Source: Insects (article, 2025-04-01)
Field: Materials Science — Biomaterials

BmHR3 Is Essential for Silk Gland Development and Silk Protein Synthesis in Silkworms (Bombyx mori) The steroid hormone 20-hydroxyecdysone (20E), which is known to regulate insect molting and metamorphosis, is crucial for the normal development of silk glands (SGs) in the silkworm <i>Bombyx mori</i>. However, how the 20E signaling pathway and its core members function in the SG remains largely unclear. Here, we report that the orphan nuclear receptor BmHR3, a 20E-response factor, plays an essential role in regulating SG development and silk protein synthesis. First, we showed that tissue-specific <i>BmHR3</i> overexpression and knockout result in severe developmental defects in posterior silk glands (PSGs). Second, we revealed that <i>BmHR3</i> dysfunction in PSGs dramatically represses the transcription of silk fibroin protein-coding genes, thereby inhibiting fibroin protein synthesis. Finally, we confirmed that BmHR3 can regulate fibroin protein-coding gene expression via direct and indirect mechanisms. This study elucidates the vital function of BmHR3 in <i>B. mori</i> SG and provides valuable information for thoroughly understanding the regulatory roles of 20E signaling in specialized insect organs. Bombyx mori ; Biology ; Fibroin ; SILK ; Bombyx ; Cell biology ; Moulting ; Transcription factor ; Transgene ; Gene ; Genetics ; Larva ; Botany Silk-based biomaterials and applications ; Neurobiology and Insect Physiology Research ; Plant Reproductive Biology
Authors: Matteo Pavan | Silvia Menin | Andrea Dodaro | Gianluca Novello | Chiara Cavastracci Strascia | Mattia Sturlese | Veronica Salmaso | Stefano Moro
Source: Journal of Chemical Information and Modeling (article, 2025-01-21)
Field: Chemistry — Physical and Theoretical Chemistry

Thermal Titration Molecular Dynamics: The Revenge of the Fragments During the last 20 years, the fragment-based drug discovery approach gained popularity in both industrial and academic settings due to its efficient exploration of the chemical space. This bottom-up approach relies on identifying high-efficiency small ligands (fragments) that bind to a target binding site and then rationally evolve them into mature druglike compounds. To achieve such a task, researchers rely on accurate information about the ligand binding mode, usually obtained through experimental techniques, such as X-ray crystallography or computer simulations. However, the physicochemical characteristics of fragments limit the accuracy and reliability of computational predictions of their binding mode. This article presents a new Thermal Titration Molecular Dynamics (TTMD) protocol, a recently developed enhanced sampling method for qualitatively estimating protein-ligand-binding stability, specifically tuned for the refinement of fragment docking results. The protocol has been applied to eight pharmaceutically relevant targets on 12 different test cases, including ligands with very low molecular weight and structural complexity (MiniFrag/FragLites). In more than 80% of cases, TTMD successfully identified the native fragment binding mode among a set of docking poses, outperforming docking alone and proving to be a useful tool to assist the fragment screening and optimization process. Titration ; Chemistry ; Molecular dynamics ; Dynamics (music) ; Computational chemistry ; Psychology ; Physical chemistry thermodynamics and calorimetric analyses ; Protein Structure and Dynamics ; Computational Drug Discovery Methods
Authors: M. Skorupa | Ethan Cao | Adrian Barylski | Sara Shakibania | Sandra Pluczyk | Zuzanna S. Siwy | Katarzyna Krukiewicz
Source: Advanced Electronic Materials (article, 2025-01-15)
Field: Materials Science — Polymers and Plastics

Layer‐By‐Layer Approach to Improve the Capacitance of Conducting Polymer Films Abstract In the pursuit of energy storage devices offering high power density, rapid charge and discharge rates, a layer‐by‐layer deposition approach is shown to improve the capacitive properties of conducting polymer‐based devices. This work describes the synthesis and characterization of a composite material based on poly(3,4‐ethylenedioxythiophene) (PEDOT) and poly(3,4‐ethylenedioxypyrrole) (PEDOP) for supercapacitor applications. PEDOT and PEDOP are sequentially electropolymerized using cyclic voltammetry to form bilayer structures, overcoming challenges associated with copolymerization. The evaluation of electrochemical performance of the PEDOT/PEDOP composite reveals superior areal capacitance (42.2 ± 2.8 mF cm −2 at the scan rate of 5 mV s −1 ) outperforming both homopolymers by up to 30%. Microscopic and spectroscopic surface analysis confirm the uniform coating of PEDOT/PEDOP and enhanced surface roughness resulting from the formation of 3D nanostructures, contributing to improved electrochemical performance. Further electrochemical impedance spectroscopic analysis demonstrates low charge transfer resistance (25 ± 8 Ω) and high energy density with respect to the area of the electrode (3.53 ± 0.3 µWh cm −2 at 55 µW cm −2 ), making PEDOT/PEDOP composite a promising material for high‐performance supercapacitors. Materials science ; Capacitance ; Layer (electronics) ; Polymer ; Layer by layer ; Nanotechnology ; Optoelectronics ; Engineering physics ; Composite material ; Electrode ; Engineering Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Analytical Chemistry and Sensors
Authors: Jianqun Qi | Linfeng Lan | Hongyu Zhang
Source: Angewandte Chemie (article, 2025-02-13)
Field: Chemistry — Physical and Theoretical Chemistry

An Organic Crystalline Ternary Pseudo‐Heterojunction with Contrasting Luminescent and Mechanical Properties Prepared by Thermotropic Phase Transition Abstract Advancements in crystal engineering have enabled the precise tuning of the physical properties of organic crystals, thereby enhancing their potential in advanced optoelectronics. Here, we design an organic compound which crystallizes into distinct polymorphs with contrasting luminescent and mechanical behaviors. Controlled growth conditions yield flexible (Cry‐ O : orange fluorescence) and brittle (Cry‐ Y : yellow fluorescence) crystals which exhibit unique fluorescence shifts and reversible spectral changes between room and low temperatures, alongside unidirectional phase transitions upon thermal stimulation. The optical and mechanical differences between the polymorphs O and Y stem from their distinct molecular packing arrangements and intermolecular interactions. Notably, Cry‐ O undergoes sequential phase transitions upon heating to 98 and 132 °C, enabling the creation of a ternary “pseudo‐heterojunction” structure, facilitating the integration of multiple functional phases into a single material. These findings not only enhance the understanding of structure–property relationships of organic materials but also demonstrate the potential of polymorphism‐driven property tuning for optoelectronic devices, thermal management systems, and optical sensors. Thermotropic crystal ; Phase transition ; Ternary operation ; Luminescence ; Materials science ; Phase (matter) ; Heterojunction ; Chemical engineering ; Chemistry ; Nanotechnology ; Crystallography ; Optoelectronics ; Organic chemistry ; Condensed matter physics ; Liquid crystalline ; Physics Crystallography and molecular interactions ; Metal-Organic Frameworks: Synthesis and Applications ; Synthesis and Properties of Aromatic Compounds
Authors: Jakob Haglöf | Jenny M. Nilsson | Jufang Wu Ludvigsson
Source: Journal of Separation Science (article, 2025-08-01)
Field: Chemistry — Spectroscopy

Development of Enhanced Separation Techniques for Oligonucleotides Utilizing Mixed‐Mode Chromatography and 2D‐LC/UV/MS Analysis Oligonucleotides are traditionally analyzed using ion-pair reversed-phase liquid chromatography. In this project, we explored an alternative approach utilizing a reversed phase-weak anion exchange mixed-mode column, which combines separation based on both charge and hydrophobicity. Our findings indicate that the mixed-mode column provided stronger retention and superior separation compared to the C18 column, eliminating the need for ion-pairing reagents. Additionally, selectivity can be adjusted using gradient pH and buffer concentration as well as acetonitrile content. However, the use of a phosphate buffer was necessary to ensure adequate retention and separation, despite its incompatibility with MS detection. To address this issue, a 2DLC-UV-qTOF setup with multiple loops was established, where the second-dimension LC, connected to the MS detector, required only an MS-compatible mobile phase. Using a HILIC-type LUNA Omega Sugar column in the second-dimension LC, the MS intensity of the heart-cut from the first dimension was increased 100-fold, allowing for the characterization of the main peak. Chemistry ; Chromatography ; Hydrophilic interaction chromatography ; Acetonitrile ; Reagent ; Analytical Chemistry (journal) ; Two-dimensional chromatography ; Reversed-phase chromatography ; Selectivity ; High-performance liquid chromatography ; Ion suppression in liquid chromatography–mass spectrometry ; Mass spectrometry ; Phase (matter) ; Liquid chromatography–mass spectrometry Analytical Chemistry and Chromatography ; Protein purification and stability ; Mass Spectrometry Techniques and Applications
Authors: Jorge Labella | Jorge Labrador‐Santiago | Daniel Holgado | Tomás Torres⊗
Source: Dalton Transactions (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Effects of removing boron from subphthalocyanines: a theoretical perspective The element hosted within the inner cavity of phthalocyanines (Pcs) dictates the wide functional versatility of these well-known macrocycles. Subphthalocyanines (SubPcs), by contrast, are only known as boron complexes, yet they exhibit a range of emerging properties unattainable with other compounds. The effects of replacing the boron atom in these macrocycles, however, remain unclear. Herein, we present a comprehensive theoretical investigation of non-boron SubPc complexes incorporating various metal and non-metal elements. Specifically, we use density functional theory (DFT) to assess the impact of boron replacement on bowl depth, dipole moment, charge distribution, key frontier molecular orbitals, UV-vis absorption properties, ionization potential, and electron affinity of SubPcs. Our findings reveal that substituting the boron atom induces significant alterations across these properties, with pronounced variability depending on the group, atomic size, and oxidation state of the central element. Altogether, this study underscores the functional versatility that non-boron SubPcs could introduce within the broader field of porphyrinoid chemistry, paving the way for disruptive materials with tailored electronic and photophysical properties. Boron ; Nanotechnology ; Chemistry ; Combinatorial chemistry ; Materials science ; Photochemistry ; Organic chemistry Porphyrin and Phthalocyanine Chemistry ; Surface Chemistry and Catalysis ; Organic Chemistry Cycloaddition Reactions
Authors: Raphael Ferreira dos Santos Baraldi | Eduardo G.C. Neiva | Afonso Henrique da Silva Júnior | Tania Maria Costa | Marcel Jefferson Gonçalves | Cátia Rosana Lange de Aguiar | Thaís Costa Nihues | Rodrigo Schlindwein | Maria Elisa Philippsen Missner | Carlos Rafael Silva de Oliveira
Source: Processes (article, 2025-08-24)
Field: Materials Science — Polymers and Plastics

Bio-Based Flame Retardant for Cotton Fabric Prepared from Eggshell Microparticles, Phytic Acid, and Chitosan: An Eco-Friendly Approach for Dry Use This study investigates the development of a sustainable flame-retardant treatment for cotton fabrics using a hybrid coating composed of chitosan, phytic acid, APTES, and eggshell powder at concentrations of 2% and 4%, applied in one and two cycles. FTIR confirmed the deposition of the organic–inorganic layer through the appearance of characteristic bands. Thermogravimetric analysis (TGA/dTGA) revealed enhanced thermal stability for all treated samples, with increased char yield and a shift in the main cellulose degradation peak. Vertical flammability tests demonstrated that all coated fabrics achieved self-extinguishing behavior within 12 s, meeting NFPA 701 criteria. The 2% eggshell formulation with two applications (S2%-II) exhibited the best balance between flame retardancy and mechanical performance. Tensile tests indicated improved fiber cohesion for treated samples, while SEM micrographs confirmed uniform coating deposition and particle integration. Colorimetric analysis showed that the treatment did not cause a significant change in the natural color of the cotton. Although washing resistance remains a limitation due to the natural origin of the components, the samples remained stable over time without microbial growth or staining, suggesting potential for upholstery and covering fabrics not subjected to domestic washing. The results highlight the feasibility of using agro-industrial waste to create eco-friendly flame-retardant finishes for cotton textiles. Fire retardant ; Chitosan ; Phytic acid ; Environmentally friendly ; Pulp and paper industry ; Materials science ; Eggshell ; Waste management ; Chemical engineering ; Composite material ; Polymer science ; Polymer chemistry ; Chemistry ; Organic chemistry ; Engineering ; Food science ; Ecology Flame retardant materials and properties ; Dyeing and Modifying Textile Fibers
Authors: Stefano Ippolito | Francesca Urban | Paolo Samorı́ | Jonathan E. Spanier | Yury Gogotsi
Source: Advanced Electronic Materials (article, 2025-04-14)
Field: Materials Science — Materials Chemistry

Exotic Photothermal Response in Ti‐Based MXene Optoelectronic Devices Abstract MXenes represent one‐of‐a‐kind materials to devise radically novel technologies and achieve breakthroughs in optoelectronics. To exploit their full potential, precise control over the influence of stoichiometry on optical and thermal properties, as well as device performance, must be achieved. Here, the characteristics of optoelectronic devices based on Ti 3 C 2 T x and Ti 2 CT x thin films are uncovered, highlighting the striking difference in their photothermal responses to laser irradiation under different experimental conditions. Even though their absorption coefficients at 450 nm are comparable, the thermal excitation and relaxation phenomena display markedly different kinetics: Ti 2 CT x devices show a strong asymmetry during the heating‐cooling cycle, with the heat dissipation kinetics being three orders of magnitude slower than Ti 3 C 2 T x and strongly influenced by environmental conditions. The findings are expected to stimulate fundamental investigations into the photothermal response of MXenes and open exciting prospects for their use in printed and wearable optoelectronics, including memory devices and neuromorphic computing. Photothermal therapy ; Materials science ; Optoelectronics ; Nanotechnology MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; 2D Materials and Applications
Authors: Haitao Zhang | Bo Feng | Tongqiang Xiong | Wenzheng Li | Tong B. Tang | Ruolin Ruan | Jin Peng | Guopeng Zhou | Yang Zhang | Kewei Wang | Yin Zhong | Yonghong Chen | Xiaoqiong Zuo
Source: Inorganics (article, 2025-08-22)
Field: Materials Science — Materials Chemistry

Bismuth-Doped Indium Oxide as a Promising Thermoelectric Material Bismuth (Bi)-doped indium oxide (In2O3) has emerged as a promising thermoelectric material due to its tunable electrical and thermal properties. This study investigates the effects of Bi-doping on the thermoelectric performance of In2O3, focusing on its electrical conductivity, band structure, carrier concentration, mobility, Seebeck coefficient, power factor, thermal conductivity, and overall thermoelectric figure of merit (ZT). The incorporation of Bi into the In2O3 lattice significantly enhances the material’s electrical conductivity, attributed to the increased carrier concentration resulting from Bi acting as an effective dopant. However, this doping also leads to a broadening of the bandgap, which influences the electronic transport properties. The Seebeck coefficient (absolute value) is observed to decrease with Bi-doping, a consequence of the elevated carrier concentration. Despite this reduction, the overall power factor improves due to the substantial increase in electrical conductivity. Furthermore, Bi-doping effectively reduces both the total thermal conductivity and the lattice thermal conductivity of In2O3. This reduction is primarily due to enhanced phonon scattering caused by the introduction of Bi atoms, which disrupt the lattice periodicity and introduce point defects. The combined improvement in electrical conductivity and reduction in thermal conductivity results in a significant enhancement of the thermoelectric figure of merit (ZT) with highest ZT value increased from 0.055 to 0.402 at 973 K. The optimized Bi-doped In2O3 samples demonstrate a ZT value that surpasses that of undoped In2O3, highlighting the potential of Bi-doping for advancing thermoelectric applications. This work provides a comprehensive understanding of the underlying mechanisms governing the thermoelectric properties of Bi-doped In2O3 and offers valuable insights into the design of high-performance thermoelectric materials for energy conversion technologies. Bismuth ; Indium ; Doping ; Materials science ; Thermoelectric effect ; Oxide ; Thermoelectric materials ; Nanotechnology ; Optoelectronics ; Engineering physics ; Metallurgy ; Composite material ; Thermal conductivity ; Physics Advanced Thermoelectric Materials and Devices ; Gas Sensing Nanomaterials and Sensors ; Chalcogenide Semiconductor Thin Films
Authors: Olivier Bardagot | Pablo Durand | Shubhradip Guchait | Hanyan Wu | Isabelle Holzer | Wissal Errafi | Victor Bouylout | Alessandra Pistillo | Chi‐Yuan Yang | Gonzague Rebetez | Priscila Cavassin | Badr Jismy | Julien Réhault | Simone Fabiano | Martin Brinkmann | Nicolas Leclerc | Natalie Banerji
Source: Advanced Materials (article, 2025-06-02)
Field: Materials Science — Polymers and Plastics

Over Tenfold Increase in Current Amplification Due to Anisotropic Polymer Chain Alignment in Organic Electrochemical Transistors Organic electrochemical transistors (OECTs) are central to the development of highly sensitive (bio)sensors, energy-efficient neuromorphic devices, and high-precision electrophysiological monitoring systems. With growing interest in these strategic electronic devices, a novel PBTTT polymer bearing single-ether side chains (PBTTT-<sup>8</sup>O) in OECTs is investigated. Pristine isotropic non-aligned OECT performance matches state-of-the-art transconductance, highlighting the potential of single ethers for designing high-performance organic mixed ionic-electronic conductors (OMIECs). Moreover, a 13× enhancement of current output is achieved by anisotropic polymer chain alignment of PBTTT-<sup>8</sup>O, opening doors to unprecedented device sensitivity. Compared to pristine ones, aligned OECTs afford a 6× increase in the normalized transconductance (g<sub>m</sub>L/Wd), reaching an unprecedented 2 580 S cm<sup>-1</sup>. Such improvement is mainly due to a gain in carrier mobility µ, as evidenced by four distinct methods. In addition, aligned OECTs exhibit faster doping front propagation, ON switching, and OFF switching compared to pristine ones. This study hence reports a versatile and easily transferable approach to concomitantly boost signal amplification and accelerate the response time of bioelectronic devices. Materials science ; Transconductance ; Bioelectronics ; Transistor ; Optoelectronics ; Nanotechnology ; Electrochemistry ; Electrode ; Voltage ; Electrical engineering ; Biosensor Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Advanced Sensor and Energy Harvesting Materials