jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Roman Pankov | Aliya Khanipova | A. G. Son | Darya O. Prima | Andrey Kolesnikov | Н. М. Иванова | Артем Н. Фахрутдинов | Mikhail E. Minyaev | Valentine P. Ananikov
Source: Chemistry - A European Journal (article, 2025-06-20)
Field: Chemistry — Organic Chemistry

Hybrid Tuning in NHC Ligands: Synergistic Effects of BIAN <i>π</i>‐Conjugation and Aryl <i>σ</i>‐Modulation in Gold(I) Complexes In this study, we explore extended design of metal-NHC complexes that relies on dual strategies for tuning ligand properties: (i) electronic modulation through π-extended frameworks such as bis(imino)acenaphthene (BIAN), and (ii) systematic aryl substitution to influence σ-donor strength and steric environment. We report the first integrated exploration of these two strategies on a unified ligand platform. A series of Au(I)/BIAN-NHC<sub>X</sub> complexes were synthesized by introducing electron-withdrawing substituents (X = F, Cl, Br, CF₃) at the ortho-, meta-, and para-positions of the N-aryl groups. This hybrid tuning approach allowed us to probe the synergistic and antagonistic effects arising from π-σ interplay across multiple dimensions. Each complex was thoroughly characterized with respect to synthetic yield, structural features (including X-ray structure and dynamics in solution), photophysical properties (UV-Vis and luminescence), catalytic performance in hydroamination of phenylacetylene, and cytotoxicity in HEK293T cells. Structure-property correlations revealed distinct cooperative and counteractive regimes depending on the substituent type and position. These findings demonstrate that combining orthogonal electronic control elements enables a more predictive and fine-grained design of NHC-based metal complexes, with future implications for catalysis, materials science, and biomedical applications. Aryl ; Modulation (music) ; Chemistry ; Power (physics) ; Combinatorial chemistry ; Organic chemistry ; Physics N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions ; Catalytic Alkyne Reactions
Authors: Mohamed Shaker Salem | Mohamed Ben Hamouda | Mohamed Amin | Mahmoud A. Sliem | S.M. Abd El Wahab
Source: Journal of Applied Physics (article, 2025-12-08)
Field: Materials Science — Materials Chemistry

Synthesis of hybrid graphene/silicon thin film Schottky junctions for photodiode applications CVD-grown graphene was transferred to p-type silicon films using wet transfer technique to create Schottky junction-based photodiodes. Electrical transport and optoelectronic properties of the produced diode were explored to assess the performance of the device. Room-temperature current–voltage (IV) curves of the structure showed a typical rectifying behavior. The barrier height obtained from capacitance–voltage measurements was quite consistent with that obtained from IV curves. The structure revealed enhanced responsivity of 1.25 A/W at wavelength of 850 nm. A reversible light-triggered switching response with an ON/OFF current ratio of 150 was achieved. A reversible switching feature was observed in dynamic response measurements with response and recovery durations of 300 and 340 ms, respectively. Responsivity ; Schottky diode ; Photodiode ; Schottky barrier ; Silicon ; Diode ; Wavelength ; Thin film Graphene research and applications ; Semiconductor materials and interfaces ; Silicon and Solar Cell Technologies
Authors: Naphatsawan Vongmanee | Jindapa Nampeng | Katesirin Rattanapithan | Phuritasinee Sriwichai | Chuchart Pintavirooj | Sarinporn Visitsattapongse
Source: Bioengineering (article, 2025-11-19)
Field: Chemistry — Analytical Chemistry

A Novel Approach for Optimizing Molecularly Imprinted Polymer Composition in Electrochemical Detection of Collagen Peptides Collagen peptides are key structural proteins that play an important role in maintaining the integrity and proper function of multiple tissues in the human body. Their breakdown is recognized as an important biomarker for various degenerative conditions, including the loss of muscle mass, joint and bone disorders, and compromised skin health. Current analytical approaches for collagen detection, such as ultraviolet spectrometry, enzyme-linked immunosorbent assay (ELISA), high-performance liquid chromatography (HPLC), and histochemical staining, are widely used but often expensive, time-consuming, and reliant on specific laboratory instrumentation, limiting their practicality for routine or rapid diagnostics. This study reports a novel biosensor for collagen peptide detection based on molecularly imprinted polymers (MIPs) integrated with screen-printed electrodes (SPEs). Electrochemical measurements revealed a clear correlation between collagen concentration and current response, confirming effective molecular binding within the imprinted matrix. The optimized MIP-modified electrode exhibited a detection range of 0.1-1000 µg/mL with a limit of detection (LOD) of 1.0106 µg/mL, limit of quantification (LOQ) of 4.46 µg/mL, sensitivity of 8.3816, and correlation coefficient (R<sup>2</sup> = 0.9436). These results highlight strong selectivity and sensitivity toward collagen peptides. The proposed MIP-based biosensor provides a rapid, low-cost platform for detecting collagen degradation products and holds potential for early diagnosis and future clinical applications in degenerative disease monitoring. Detection limit ; Molecularly imprinted polymer ; Biosensor ; Peptide ; Limiting ; Biomarker ; Electrode Analytical chemistry methods development ; Collagen: Extraction and Characterization ; Advanced Proteomics Techniques and Applications
Authors: Arthur H. G. David | Darío Puchán Sánchez | Ahmad Kassem | M. Röger | Magali Allain | Tangui Le Bahers | Cyrille Monnereau | Antoine Goujon | Clément Cabanetos
Source: ChemRxiv (preprint, 2025-05-29)
Field: Chemistry — Organic Chemistry

Exploring the Azabenzannulation on Benzothioxanthene Imide We report herein the synthesis and characterization of azabenzannulated benzothioxanthene imides (BTIs) functionalized with various appended aromatic units. This new class of polycyclic aromatic hydrocarbons are prepared via a straightforward and efficient synthetic strategy that involves a visible-light-mediated photocyclization of imines. The later are formed in situ from the condensation of an amine moiety at the bay position of the BTI core with aldehydes, followed by oxidative rearomatization. These green-yellow fluorescent emitters (φf ~ 0.14-0.20) combine dual redox properties with significant triplet state generation — resulting from a combination strong spin-orbit couplings and the energetic proximity between their S1 state and their triplet states — with singlet oxygen sensitization efficiencies φΔ~ 0.39-0.49. Hence, this design principle enables accessible tailored structural modifications through the incorporation of diverse functional groups onto the BTI core with minimal synthetic effort, paving the way to original and versatile functional materials with broad potential in optoelectronics, biophotonics, and photodynamic therapy. Imide ; Business ; Materials science ; Polymer chemistry Synthesis and Reactivity of Sulfur-Containing Compounds ; Synthesis and pharmacology of benzodiazepine derivatives
Authors: Barbara Mavroidi | Kyriaki Marina Lyra | Stergios Pispas | Zili Sideratou | Dimitris Tsiourvas
Source: Pharmaceuticals (article, 2025-08-12)
Field: Materials Science — Polymers and Plastics

Hyperbranched Polyethyleneimine–Coordinated Copper(II) Metallopolymers with Preferential Targeting to Prostate Cancer Cells <b>Background/Objectives</b>: Copper levels are significantly elevated in both the sera and tumor tissues of various cancers, including prostate cancer. It has therefore been suggested that targeting the elevated copper levels with copper chelators could lead to selective cancer treatment. Thus, several classes of low molecular weight copper-coordinating lipophilic compounds, as well as the newly developed copper complexes of appropriately functionalized polymers, are being investigated as promising novel anticancer therapeutics. Particularly, metal-containing polymers, or metallopolymers, are systematically investigated as anticancer agents or as drug delivery systems. This study aims to utilize the strong copper-chelating properties of hyperbranched polyethyleneimine (PEI) to develop PEI:Cu metallopolymers and evaluate their selectivity and anticancer properties against several prostate cancer cell lines. <b>Methods:</b> A series of PEI:Cu complexes at PEI/Cu ratios that ensure that no free copper ions are present in the solution are prepared and investigated against a human non-cancerous cell line and three prostate cancer cell lines of increasing metastatic potential. <b>Results:</b> PEI:Cu derivatives are cytotoxic against the human prostate carcinoma metastatic PC3 and DU145 cell lines, even at the lowest tested concentrations of 5 μg/mL, while against the non-cancerous HEK293 cells, all metallopolymer derivatives exhibit insignificant cytotoxicity up concentrations of 50 μg/mL. Their cytotoxic effect is associated with mitochondria membrane potential loss and ROS production increase. <b>Conclusions:</b> Hyperbranched polyethyleneimine-coordinated copper(II) metallopolymers, at low concentrations, selectively induce cytotoxicity in metastatic prostate cancer cell lines without compromising the viability of non-cancerous embryonic kidney cells. DU145 ; Cytotoxicity ; Prostate cancer ; Copper ; Metastasis ; Cytotoxic T cell ; Cancer cell ; Cancer research ; Cell culture ; Chemistry ; Chelation ; Cancer ; Viability assay ; Cell ; Biochemistry ; Medicine ; Biology ; In vitro ; Internal medicine ; Organic chemistry Dendrimers and Hyperbranched Polymers ; RNA Interference and Gene Delivery ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Hosoowi Lee | Yong‐ho Lee | Minhyeong Lee | Dong Hyun Kang | Ji‐Won Kim | Dong Ha Kim | Woo‐Dong Jang
Source: Aggregate (article, 2025-06-16)
Field: Materials Science — Biomaterials

Pathway Complexity in Supramolecular Polymerization of Porphyrin Dyads for Kinetic Control of Helicity ABSTRACT The supramolecular polymerization of porphyrin dyad ( PD ) shows the pathway complexity leading to the formation of kinetically metastable nanoparticles ( PD Particle ) through rapid cooling and thermodynamically stable fibrous supramolecular polymers ( PD Fiber ) through slow cooling. The kinetically metastable PD Particle is gradually transformed to the thermodynamically stable PD Fiber . Due to the inherent achirality of PD , AFM images exhibited a random distribution of both M and P helices. Introducing chiral alkyl chains achieved a predominant helicity in PD Fiber , with ( S )‐ PD favoring M helices and ( R )‐ PD favoring P helices. The addition of chiral 2‐methyl pyrrolidine (MePy) further influences this transformation by retarding the transition from PD Particle to PD Fiber through axial coordination with the zinc porphyrin units, affecting the helicity of the resulting supramolecular polymer. By manipulating the cooling rates and environmental conditions, we demonstrate the reversible control over circular dichroism (CD) and circularly polarized luminescence (CPL), providing insight into the relationship between structural chirality and optical activity. Porphyrin ; Helicity ; Supramolecular chemistry ; Kinetic energy ; Polymerization ; Kinetic control ; Chemistry ; Photochemistry ; Crystallography ; Physics ; Organic chemistry ; Polymer ; Catalysis ; Crystal structure ; Classical mechanics ; Quantum mechanics Supramolecular Self-Assembly in Materials ; Porphyrin and Phthalocyanine Chemistry ; Supramolecular Chemistry and Complexes
Authors: Furhan Abdul Rezak | Pelin Catal | Lola Mantout | Flávio C. Cruz | Didier Boturyn | Jean‐Luc Coll | Arnaud Favier | Galina V. Dubacheva | Xavier Le Guével
Source: Nanoscale Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Bioorthogonal conjugation of NIR luminescent gold nanoclusters with multifunctional polymers: insights into binding efficiency, kinetics, and optical properties The bioorthogonal reactivity of gold nanoclusters (AuNCs) with macromolecules such as polymers is strongly influenced by their physicochemical parameters, which govern both reaction selectivity and kinetics. Using a quartz crystal microbalance with dissipation monitoring (QCM-D), we demonstrate that the strain-promoted azide-alkyne cycloaddition (SPAAC) reaction between azide-functionalized AuNCs and dibenzyl cyclooctyne (DBCO)-functionalized polymers in aqueous environments is highly specific yet proceeds at a relatively slow rate. Under diluted conditions (μM range), this reaction occurs predominantly at the level of individual nanoclusters, resulting in surface functionalization without extensive network formation. Optical characterization studies reveal a temperature- and concentration-dependent enhancement of AuNC photoluminescence upon their SPAAC conjugation with polymers. Furthermore, increased DBCO density in the polymer correlates with stronger photoluminescence enhancement, suggesting accelerated SPAAC kinetics and denser polymer coverage, consistent with the QCM-D observations. The insights gained from this work provide valuable guidance for an efficient bioorthogonal coupling between multifunctional AuNCs and polymers under biological conditions. Moreover, the developed experimental approach offers a versatile platform to investigate the formation and dynamics of various types of AuNC assemblies, including individual functional clusters and extended networks by delivering complementary information on kinetics, specificity, and luminescence properties. Bioorthogonal chemistry ; Nanoclusters ; Kinetics ; Luminescence ; Polymer ; Chemistry ; Nanotechnology ; Materials science ; Combinatorial chemistry ; Optoelectronics ; Organic chemistry ; Click chemistry ; Physics Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics
Authors: Adrian Krzysztof Antosik | Marcin Bartkowiak
Source: Polymers (article, 2025-10-04)
Field: Materials Science — Materials Chemistry

Effect of Rock Crystal Addition on the Properties of Silicone Pressure-Sensitive Adhesives In the presented work, a natural mineral-rock crystal-was used as a filler to obtain new silicone adhesive tapes. It was expected that, properly crushed, this hard mineral, consisting almost entirely of silica (silicon dioxide), should enhance the thermal resistance and cohesion of the self-adhesive composition with no/or low reduction in the rest of performance properties of the products. For this purpose, tests were conducted on the functional properties of new self-adhesive tapes, such as adhesion, cohesion, and tack. The obtained results confirmed the scientific assumptions and the thermal resistance of adhesive layers reached over 225 °C. The material itself turned out to not agglomerate in the adhesive composition and to be compatible with it. The new self-adhesive materials have application potential and can be used as materials for special applications in the field of heating, e.g., in connecting pipes, where thermal resistance and thermal expansion are of immense importance. Silicone ; Adhesive ; Cohesion (chemistry) ; Thermal ; Agglomerate ; Filler (materials) ; Crystal (programming language) Silicone and Siloxane Chemistry ; Polymer Nanocomposites and Properties ; Aerogels and thermal insulation
Authors: J.D. Ray | Sumit Mondal | Pallav Mondal | Debajit Sarma
Source: Journal of Materials Chemistry C (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

A solvent crafted alternate [Zn<sub>3</sub>/Zn<sub>4</sub>] cluster driven MOF and its analogous MOG: structural elucidation integrated with advanced bilirubin detection and encryption strategies A single metal-ligand system yields both a crystalline MOF and a soft gel as analogous architectures. Their luminescent features enable advanced sensing and anticounterfeiting applications. Materials science ; Solvent ; Cluster (spacecraft) ; Encryption ; Insider ; Crystallography ; Chemical engineering ; Nanotechnology ; Computer science ; Chemistry ; Organic chemistry ; Computer security ; Computer network Advanced Nanomaterials in Catalysis ; Metal-Organic Frameworks: Synthesis and Applications ; Nanocluster Synthesis and Applications
Authors: Aliyu Shehu | Oluwole Joshua Okunola | A. U. Uduma
Source: Scientia Africana (article, 2025-05-07)
Field: Materials Science — Materials Chemistry

Biogenic synthesis, optimization, and characterization of novel silver nano particle using combined seed extracts This study explores the biogenic synthesis, optimization and characterization of silver nanoparticles (AgNPs) using plant-derived extracts from black seed, neem seed, and baobab seed. The synthesis of nanoparticles was optimized using the Taguchi response method and the optimized condition was used for the synthesis which was confirmed by UV-Vis spectroscopy, which revealed a distinct surface plasmon resonance (SPR) peak at 413 nm. The FTIR spectra for AgNPs exhibited characteristic bands at 566.56, 1028.75, 1394.02, 1632.57, and 3220.42 cm−1, indicating metal-ligand interactions such as Ag-O and Ag-N bonds, suggesting the involvement of plant-derived compounds like polyphenols and amino acids in stabilizing the nanoparticles. XRD analysis confirmed the crystalline nature of the nanoparticles with characteristic diffraction peaks at 32.31, 47.24, 55.22, 68.90, 77.78, and 86.37°. The average particle size of the AgNPs was found to be 38.51nm. SEM analysis revealed the nanoparticles shape, and the AgNPs were found to possess a hexagonal shape. Elemental analysis from EDX confirmed the presence of silver in the nanoparticles showing 50.4% Ag alongside C, O, and other elements from plant-derived capping agents. Antimicrobial testing revealed the specific activity of the nanoparticle against various pathogens. AgNPs demonstrated good antibacterial activity, with significant inhibition observed against Staphylococcus aureus (23 mm), Escherichia coli (22 mm), and fungi. These findings highlight the potential of plant-derived nanoparticles as effective antimicrobial agents, with the silver nanoparticles being particularly effective against both Gram-positive and Gram-negative bacteria and fungi. Characterization (materials science) ; Nano- ; Materials science ; Particle (ecology) ; Nanotechnology ; Silver Nano ; Chemical engineering ; Biological system ; Chemistry ; Biology ; Composite material ; Engineering ; Ecology Nanoparticles: synthesis and applications
Authors: Joanna Siódmiak | Jacek Dulęba | Dominik Mieszkowski | Piotr Bilski | Tomasz Siódmiak
Source: Catalysts (article, 2025-09-23)
Field: Chemistry — Organic Chemistry

Emulsion Systems Stabilized with Nonionic Emulsifier and Cross-Linked Polyacrylic Acid: A Promising Strategy to Enhance the Activity of Immobilized CALB The application of lipases in biphasic oil–water emulsions offers an efficient and sustainable alternative to conventional chemical synthesis. However, the natural immiscibility of these phases is a substantial limitation. To address this issue, we proposed a dual-stabilized emulsion system combining a nonionic emulsifier (Kolliphor® CS 20) and cross-linked polyacrylic acid (Carbopol® Ultrez 10), exceeding conventional single-stabilized systems. The activity of Candida antarctica lipase B (CALB), both in its free form and immobilized onto an IB-D152 support, was investigated in the prepared emulsion system. The olive oil emulsion stabilized with 10.0% Kolliphor® CS 20 and 0.1% Carbopol® Ultrez 10 significantly enhanced the lipolytic activity of immobilized CALB (156.27 ± 3.91 U/g of support), compared to the activity obtained in the emulsion stabilized only with 10.0% Kolliphor® CS 20 (71.11 ± 3.86 U/g of support). On the other hand, the activity of immobilized CALB in the emulsion containing 5.0% Kolliphor® CS 20 and 0.1% Carbopol® Ultrez 10 (62.22 ± 3.85 U/g of support) was lower than in the corresponding system without Carbopol® Ultrez 10 (72.03 ± 4.63 U/g of support), stabilized with only 5.0% Kolliphor® CS 20. Furthermore, immobilization onto IB-D152 led to lipase hyperactivation, with activity approximately eight-fold higher than that of free CALB. This dual emulsion stabilization strategy not only improves emulsion stability but also enhances lipase activity, offering new opportunities for scalable, high-performance biocatalysis using emulsions in industrial applications. Emulsion ; Candida antarctica ; Lipase ; Pickering emulsion ; Polyacrylic acid ; Biocatalysis Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Hydrogels: synthesis, properties, applications
Authors: Debashis Mishra | Ranjit Prasad Swain | Bharat Bhusan Subudhi
Source: ACS Omega (article, 2025-08-27)
Field: Materials Science — Biomaterials

Papaya Peel Extract-Capped Copper Oxide Nanoparticle-Based Hydrogel: Enhanced Efficacy for Wound Healing Food wastes with relatively lower bioactive components can be enriched by capping onto nanoparticles, capitalizing on the high surface area and positively charged metallic core. Thus, the present investigation was undertaken to cap papaya peel extract onto copper nanoparticles and develop their hydrogel for potential application in wound healing. Green papaya peel aqueous extract was used to synthesize copper nanoparticles with a mean diameter of 18 nm and a zeta potential of -16.33 mV. The effect of extract concentration, volume, temperature, pH, and reaction time was studied and optimized for the synthesis of CuNPs. Furthermore, CuNPs were loaded in HPMC K4M (0.7% w/v) and xanthan gum (0.4% w/v) hydrogel and characterized for applicability, compatibility, and stability. A wound healing study on Wistar albino rats was performed, and wound contraction was recorded. Biopsies were taken on the 10th day of the study for histological examination. This revealed significantly higher efficacy of the PAE-CuNP hydrogel in healing the wounds than the control, standard, and PAE-hydrogel. While it masked the antimicrobial properties of copper, it enhanced the wound healing efficacy, supporting the hypothesis that capping extracts onto metallic cores can potentiate the effectiveness of bioactives. Considering the demand for nonantibiotic wound dressings, this PAE-CuNP hydrogel can be a potential alternative following further validation. Wound healing ; Nanoparticle ; Copper ; Materials science ; Chemistry ; Nanotechnology ; Medicine ; Surgery ; Metallurgy Nanocomposite Films for Food Packaging ; Nanoparticles: synthesis and applications ; Electrospun Nanofibers in Biomedical Applications