jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mingming Hu | Hao Guo | Nan Hu | Xu Xu | Chen Shen | Zhijie Li | Chong Chen
Source: Processes (article, 2026-02-28)
Field: Materials Science — Materials Chemistry

A High-Efficiency Defoamer for Seawater Desalination Based on Polyether-Modified Silicone As surface-active functional compounds, defoamers play a pivotal role in seawater desalination processes. In this study, a polyether-modified silicone compound was synthesized, and its structure was confirmed through FITR and 1H-NMR characterization. Using this compound as the main component, a more effective and stable composite defoamer product was obtained through a co-optimization method. The particle size of the defoamer ranged from 600 to 700 nm in aqueous systems, and the surface tension could be reduced to 27.46 mN/m, thereby exhibiting superior defoaming and antifoaming properties. Additionally, the defoamer demonstrated good compatibility with commonly used scale inhibitors and was non-corrosive to equipment. Industrial testing further confirmed its efficacy in controlling foam during seawater desalination effectively. Defoamer ; Silicone ; Seawater ; Surface tension ; Biofouling ; Desalination ; Compatibility (geochemistry) Pickering emulsions and particle stabilization ; Surface Modification and Superhydrophobicity ; Marine Biology and Environmental Chemistry
Authors: Naiza Saraiva Farias | Laryssa de Souza-Salgado | Francisco Bernardo de Barros | Maria Alicy Neres de Oliveira | MÁRCIA JORDANA FERREIRA MACÊDO | Francildo dos Santos Souza | João Pedro Alves Torres | H. D. M. Coutinho | Jailton Ferrari | Maria Audilene de Freitas | Maria Flaviana Bezerra Morais-Braga
Source: ACS Omega (article, 2026-03-20)
Field: Chemistry — Organic Chemistry

Antifungal Efficacy against <i>Candida</i> spp. Strains and Synthesis via Heck–Matsuda Arylation of Aryl-Camphene-Type Derivatives The rapid growth of fungal infections caused by <i>Candida</i> spp. associated with antimicrobial resistance requires the development of new therapeutic approaches to combat these infections. Camphene is a compound derived from the essential oils of various plants and has antimicrobial properties. Based on this, the objective of this study was to carry out the late-stage diversification of camphene by means of highly stereoselective Heck-Matsuda (HM) arylation and to evaluate the antifungal activity of these derivatives against <i>Candida</i> spp. The reaction provided direct access to seven aryl-camphene derivatives (adducts HM <b>3a</b>-<b>g</b>) with good to excellent yields (48-98%) in short reaction times under moderate and aerobic conditions. For the antifungal tests, camphene and the HM adducts <b>3a</b> and <b>3b</b>, with the highest yields, were selected. Of the compounds, camphene showed the best intrinsic antifungal activity, outperforming fluconazole (FCZ) against<i>C. albicans</i>. In association with FCZ, camphene and HM adduct <b>3a</b> significantly potentiated the drug's action, resulting in a notable reduction in the average inhibitory concentration (IC<sub>5</sub>0). Tests to determine the minimum fungicidal concentration showed that only the combination of camphene and FCZ showed fungicidal action against<i>C. albicans</i>. For<i>C. tropicalis</i>, there was fungicidal activity with the combinations of camphene and FCZ, and HM adduct <b>3a</b> and FCZ. The morphological transition from yeast to hyphae and/or pseudohyphae in<i>C. albicans</i> was inhibited only by camphene. In<i>C. tropicalis</i>, filamentation was completely inhibited by the action of camphene and its derivatives at the concentrations evaluated. Taken together, these results suggest that camphene and its HM adducts (<b>3a</b>-<b>b</b>) evaluated may be promising candidates for the development of antifungal agents, especially in combination therapies with fluconazole. Antifungal ; Yield (engineering) ; Strain (injury) ; Antimicrobial ; Antibiotics Catalytic Cross-Coupling Reactions ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Synthesis of Tetrazole Derivatives
Authors: James Williamson | Tomasz K. Piskorz | Bini Claringbold | Alexandra R. Paul | Nikita Harvey | Fernanda Duarte | Christopher J. Serpell
Source: Chemical Communications (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Differential self-assembly of sequence-isomeric phosphoestamers Phosphoestamers self-assemble into an array of superstructures according to their sequence and thus provide a useful model for understanding sequence/structure relationships. To explore this, we synthesised all tetrameric phosphoestamers composed of equal ratios of C12 and HEG monomers and examined their self-assemblies in a combined experimental/computational workflow. Sequence (biology) ; Monomer ; Differential (mechanical device) ; Set (abstract data type) Synthesis and characterization of novel inorganic/organometallic compounds ; Supramolecular Chemistry and Complexes ; Dendrimers and Hyperbranched Polymers
Authors: Antonio Cardone | María Losurdo | Stefano Dicorato | Agostina Lina Capodilupo | Maria M. Giangregorio | Giuseppe Valerio Bianco
Source: Nanoscale (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

The Golden Rule to Address Charge Transfer in Dibenzenthiols-derivates/Gold Nanoparticles Hybrids Organic molecule-gold nanoparticles (Au NPs) hybrids based on a luminescent small organic molecule, 4,4'-((5,6-bis(2-hexyldecanoxy)benzo[c][1,2,5]thiadiazole-4,7diyl)bis(thiophene-5-2-diyl))bis(methanylydene))bis(azanylydene))dibenzenethiol (BTTh) and plasmonic Au NPs with size ranging from 30 to 120 nm were engineered and... Nanoparticle ; Plasmon ; Luminescence ; Charge (physics) ; Ranging ; Plasmonic nanoparticles Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Organic Light-Emitting Diodes Research
Authors: Edith Dube | Grace Emily Okuthe
Source: Applied Nano (article, 2026-02-10)
Field: Materials Science — Materials Chemistry

Biogenic Copper-Based Nanoparticles: Emerging Antimicrobial Agents Against Pathogenic Microorganisms Biogenic copper-based nanoparticles have attracted attention as potent antimicrobial agents synthesised via environmentally sustainable routes using plants, microorganisms, and biological waste. Green synthesis leverages phytochemicals, enzymes, and proteins as natural reducing and stabilising agents, enabling nanoparticle formation under mild, non-toxic conditions without hazardous reagents. The resulting nanoparticles are typically spherical, &lt;100 nm in size, and enriched with bioactive surface functionalities that contribute to broad-spectrum antimicrobial activity against bacteria, fungi, and biofilms. Their antimicrobial effects arise from interconnected mechanisms, including the generation of reactive oxygen species, the release of Cu2 ions, membrane disruption, and interference with vital metabolic and genetic processes. Hybrid systems such as Ag–Cu, Zn–CuO, and CuS nanoparticles further enhance efficacy through synergistic redox and photothermal effects. These properties support applications in medical coatings, wound dressings, food packaging, aquaculture disease management, and sustainable crop protection. However, toxicity is highly context-dependent, influenced by factors such as nanoparticle size, shape, surface chemistry, capping agent, concentration, exposure medium, and the biological system. Small or weakly capped NPs can induce cytotoxicity, hemolysis, developmental defects, or growth inhibition, whereas functionalization or capping can improve selectivity and biocompatibility. Standardised physicochemical characterisation, harmonised toxicity testing, and mechanistic understanding are critical for the safe translation of biogenic CuNPs into regulatory-approved applications. This review summarises recent advances (2015–2025) in the biogenic synthesis of copper-based nanoparticles, highlighting how biological systems govern nanoparticle morphology, stability, and antimicrobial efficiency. It integrates mechanistic insights, compares monometallic and hybrid systems, and evaluates emerging applications in medicine, agriculture, aquaculture, and food safety. The review also identifies current limitations and future directions for standardisation, toxicity evaluation, and regulatory approval. Antimicrobial ; Nanoparticle ; Surface modification ; Photothermal therapy ; Anti-Infective Agents ; Human health Nanoparticles: synthesis and applications ; Copper-based nanomaterials and applications ; Advanced Nanomaterials in Catalysis
Authors: Daniel Pokorný | Tomáš Syrový | Milan Klikar | Patrik Pařík | Zuzana Burešová | Lenka Řeháčková | Filip Bureš
Source: Materials Advances (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Tailoring lithium dicyanoimidazolide: structure–property relationships Structural tailoring and structure–property relationships of lithium 4,5-dicyanoimidazolide-based electrolytes by substitution and π-system extension. Lithium (medication) ; Salt (chemistry) ; Property (philosophy) ; Lithium carbonate N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Coordination Chemistry and Organometallics ; Synthesis of Tetrazole Derivatives
Authors: Mateusz Borkowski | Ada Drwęcka | Szymon J. Zelewski | Artur Kasprzak | Sławomir Szafert | Bartłomiej Pigulski
Source: ChemRxiv (article, 2026-03-03)
Field: Chemistry — Organic Chemistry

A C66 PAH with Six Azulene Units and NIR-II Absorption: Toward Azulene-Based Carbon Allotropes The development of small-molecule dyes with strong and tunable absorption in the near-infrared II (NIR-II, 1000-1700 nm) window remains a central challenge for optoelectronic and biomedical applications, motivating the exploration of unconventional π-conjugated frameworks. In this context, non-alternant polycyclic aromatic hydrocarbons (PAHs) have emerged as promising candidates, with azulene-embedded architectures offering access to small electronic gaps. However, the lack of efficient synthetic strategies has largely restricted the use of such systems, reducing systematic structure-property relationships and limiting their use as functional NIR-active materials. Here we report the synthesis of 2-diMes, a C66 PAH that represents the first non-alternant PAH incorporating six azulene subunits within a fully conjugated framework. This purely hydrocarbon, closed-shell molecule exhibits an exceptionally small HOMO-LUMO gap, among the narrowest reported for neutral closed-shell π-conjugated hydrocarbons. The non-alternant topology of 2-diMes gives rise to intense near-infrared absorption with an onset extending to 1450 nm (0.86 eV) and a narrow electrochemical gap of 1.13 V. Notably, 2-diMes functions as a highly photostable NIR-II photoacoustic dye, combining a strong photoacoustic response with excellent solubility in common organic solvents. Spectroelectrochemical and titration studies revealed further red-shifted absorption upon oxidation, with the radical cation [2-diMes]•⁺ absorbing beyond 3200 nm (0.39 eV) and the dication [2-diMes]²⁺ up to 2600 nm (0.48 eV). These results highlight non-alternant azulene-rich PAHs as a powerful and underexplored platform for the rational design of next-generation NIR-II dyes and functional organic materials. Azulene ; Absorption (acoustics) ; Dication ; Density functional theory ; Carbon fibers ; Molecule ; Solubility ; Absorption spectroscopy Synthesis and Properties of Aromatic Compounds ; Covalent Organic Framework Applications ; Luminescence and Fluorescent Materials
Authors: Hiroaki Kobayashi | Kazuaki OHTSUKI | Takashi Ubukata | Tetsuya Nakagawa | Yasushi Yokoyama
Source: Research on Chemical Intermediates (article, 2026-01-16)
Field: Materials Science — Materials Chemistry

All-optical switching of thermally irreversible/reversible photochromism of diarylethenes by negative-photochromic acidity-controllable spiropyran Photochromic compounds can be classified into two categories. One is thermally irreversible (P-type) and the other thermally reversible (T-type). Although diarylethenes are generally P-type, a certain environmental modification such as the addition of specific chemicals can change it into the T-type. For example, the addition of Brønsted acid to a diarylethene possessing an amino group is known to change the reaction mode of photochromism. However, in order to restore its P-type photochromism, a scavenger of the acid is required. We have disclosed here that the P-type/T-type switching of diarylethenes can be achieved by the photochromic reaction of a coexisting spiropyran which can generate a strong acid by photoirradiation. When it takes the thermally stable merocyanine (mc) form, it works as a weakly acidic phenol. On the other hand, when it takes the spiropyran (sp) form generated by visible light irradiation, it works as a strongly acidic iminium sulfonate. Protonation to the accompanying diarylethene changes it from P-type to T-type. When the sp form thermally returns to the mc form, the P-type nature of the diarylethene is restored again. Thus, we have achieved the all-optical switching between the P-type/T-type photochromic reaction modes of diarylethenes. These procedures do not require the addition or removal of any agents from the photochromic system. Photochromism ; Diarylethene ; Spiropyran ; Protonation ; Merocyanine ; Visible spectrum Photochromic and Fluorescence Chemistry ; Liquid Crystal Research Advancements ; Synthesis and Properties of Aromatic Compounds
Authors: Pampa Chowdhury | Kamal Bauri | Priyadarsi De
Source: Chemical Science (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Pyroglutamate pendant block copolymers: evolution of inverse and conventional morphologies from RAFT-mediated PISA By emulating the complex hierarchical assemblies found in bio-derived materials, nanostructural synthetic designs expand material properties and enlarge their capability for versatile applications. Correspondingly, polymerization-induced selfassembly (PISA) emerges as a... Block (permutation group theory) ; Inverse ; Nanostructure ; Inverse method ; Morphology (biology) Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Block Copolymer Self-Assembly
Authors: Roman Krymchenko | Gizem Coşar Kutluoğlu | Dominique Manikowski | Claudia Doberenz | Bouke K.H.L. Boekema | Toin H. van Kuppevelt | Willeke F. Daamen
Source: International Journal of Biological Macromolecules (article, 2026-02-01)
Field: Materials Science — Biomaterials

Optimization of elastin proportion and crosslinking for collagen-elastin scaffolds as skin substitutes Elastin ; Biocompatibility ; Scaffold ; Mechanical strength ; Tissue engineering ; Pig skin ; Skin repair ; Biocompatible material Collagen: Extraction and Characterization ; Wound Healing and Treatments ; Connective tissue disorders research
Authors: D. Gogova | D. Tran | V. Stanishev | D. Shafizadeh | C. -L. Hsiao | M. Kim | B. Pécz | A. Kovács | K. Frey | A. Sulyok | N. K. Singh | A. Le Febvrier | P. Eklund | V. Darakchieva
Source: arXiv (Cornell University) (article, 2026-04-06)
Field: Materials Science — Materials Chemistry

Epitaxial MgSnN2 on 4H-SiC (0001): An Earth-Abundant Nitride for Green Optoelectronics and Photovoltaics Group II-IV nitrides have recently emerged as a novel class of semiconductors composed of earth-abundant elements. Owing to their tunable bandgaps, comparable to those of III-nitrides, these materials are attractive candidates for replacing expensive Ga-based alloys in photovoltaics and green-gap optoelectronics. In this work, epitaxial growth of MgSnN2 layers on 4H-SiC(0001) substrates by direct current magnetron sputtering is demonstrated. Mg and Sn metal targets have been co-sputtered in nitrogen-containing atmosphere at growth temperatures up to 500 °C. X-ray diffraction and cross-sectional transmission electron microscopy confirm the MgSnN2 layers grow epitaxially in a wurtzite crystal structure, exhibiting the epitaxial relationships with the substrate: MgSnN2 [0001]//4H-SiC [0001] and MgSnN2 [10-10]//4H-SiC[10-10]. Improved crystalline quality is observed for higher deposition temperatures and near-stoichiometric composition, as evidenced by the narrowing of rocking curve linewidths. Optical characterization reveals high absorption coefficients (1e5 cm-1) in the visible spectrum, comparable to that of GaAs, highlighting the suitability of MgSnN2 for photovoltaic applications. A photoluminescence emission band at ~2.4 eV is detected, highly desirable for optoelectronic devices operating in the challenging green spectral region. These results establish MgSnN2 as an earth-abundant, environmentally friendly material, structurally compatible with III-nitrides, with potential for cost-efficient components in sustainable optoelectronics and photovoltaics. Photovoltaics ; Wurtzite crystal structure ; Epitaxy ; Photoluminescence ; Sputter deposition ; Photovoltaic system ; Nitride ; Semiconductor Boron and Carbon Nanomaterials Research ; GaN-based semiconductor devices and materials ; Machine Learning in Materials Science
Authors: Metodej Dvoracek | Yanran Wu | Greta Sambucari | Craig Newman | Brendan Twamley | Mathias O. Senge | Jianzhang Zhao | Mariangela Di Donato | Mikhail A. Filatov
Source: Journal of Materials Chemistry C (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Conformationally Locked BODIPY Donor–Acceptor Dyads: Charge Separation and Recombination across a [2.2.2]Bicyclooctane Spacer Controlling the excited-state dynamics of charge-separated (CS) states in donor-acceptor (D-A) systems is challenging due to geometry changes from intramolecular rotations and vibrations. A key question is how molecular geometry... Intramolecular force ; BODIPY ; Recombination ; Charge (physics) ; Molecular dynamics ; Aggregation-induced emission Luminescence and Fluorescent Materials ; Photochemistry and Electron Transfer Studies ; Nonlinear Optical Materials Studies
Authors: Ge Cao | Yan Ke | Kaihua Huang | Tianhong Huang | Jiali Xiong | Zhujun Li | H M Zhang
Source: Coatings (article, 2026-01-19)
Field: Materials Science — Polymers and Plastics

A Review on the Synthesis Methods, Properties, and Applications of Polyaniline-Based Electrochromic Materials Polyaniline (PANI), characterized by its proton-coupled redox mechanism and multicolor reversibility, is widely investigated for adaptive optical interfaces. Compared to inorganic oxides, PANI offers advantages in cost-effectiveness, mechanical flexibility, and molecular tunability; however, its practical implementation faces challenges related to kinetic limitations and environmental instability. This review presents a comprehensive analysis of PANI-based electrochromic materials, examining the intrinsic correlations among synthesis methodologies, microstructural characteristics, and optoelectronic performance. Synthesis strategies, including chemical oxidative polymerization, electrochemical deposition, and template-assisted techniques, are evaluated. Emphasis is placed on resolving the trade-off between optical contrast and switching kinetics by constructing high-surface-area porous nanostructures and inducing chain ordering via functional dopants to shorten ion diffusion paths and reduce charge transfer resistance. Fundamental electrochromic properties are subsequently discussed, with specific attention to degradation mechanisms triggered by environmental factors, such as pH drift, and stabilization strategies involving electrolyte engineering and composite design. Furthermore, the review addresses the evolution of applications from single-band monochromatic displays to dual-band smart windows for decoupled visible/near-infrared regulation and multifunctional integrated systems, including electrochromic supercapacitors and adaptive thermal management textiles. Finally, technical challenges regarding long-term durability, neutral color development, and large-area manufacturing are summarized to outline future research directions for PANI-based optical systems. Electrochromism ; Electrochromic devices ; Dopant ; Electrolyte ; Thermal management of electronic devices and systems ; Prussian blue ; Electrochemistry Conducting polymers and applications ; Transition Metal Oxide Nanomaterials ; Supercapacitor Materials and Fabrication
Authors: Subban Kathiravan | Ian A. Nicholls
Source: Chemical Communications (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Kolbe radical-initiated electrochemical desulfurization of thioamides under aerobic conditions A metal-free electrochemical desulfurization of thioamides is reported, enabled by an isobutyric acid-mediated Kolbe radical initiation under air. The protocol operates in an undivided cell, tolerates diverse substrates, and proceeds <i>via</i> radical activation and oxygen trapping, offering a mechanistically distinct, sustainable alternative to conventional oxidative desulfurization methods. Flue-gas desulfurization ; Electrochemistry ; Oxidative phosphorylation ; Sulfur ; Oxygen Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Synthesis and Reactivity of Sulfur-Containing Compounds
Authors: Antoine Barthélemy | Nico G. Kub | Celine Regnat | Harald Scherer | Ingo Krossing
Source: Chemical Science (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Why is a dicationic digallene so reactive towards activation of strong covalent bonds? Scope and mechanistic investigations Herein, we investigate the reactivity of the <i>trans</i>-bent Ga⇄Ga double bond in the dicationic digallene [{Ga(dcpe)}<sub>2</sub>]<sup>2+</sup> (dcpe = bis(dicyclohexylphosphino)ethane) as its [<i>pf</i>]<sup>-</sup> salt ([<i>pf</i>]<sup>-</sup> = [Al(OR<sup>F</sup>)<sub>4</sub>]<sup>-</sup>; R<sup>F</sup> = C(CF<sub>3</sub>)<sub>3</sub>), which is formed <i>in situ</i> within seconds. Unusually, this digallene is highly reactive towards covalent bonds and oxidatively adds even to strong E-Y σ-bonds, <i>e.g.</i>, H-O, H-N, H-C and C-F bonds, under mild conditions, often at room temperature. Their bond activation at any cationic subvalent group 13 compound is unprecedented and the C-H bond activation is the first oxidative addition reported between any subvalent gallium compound and a neutral substrate. The scope and mechanism of the bond activation reactions were experimentally investigated by interaction with selected substrates and <i>via</i> isotope labelling experiments, as well as using high-level quantum chemical calculations. Mechanistically, the pronounced reactivity of the digallene can be attributed to an easily accessible asymmetric conformer with one (Lewis-acidic) planarized and one (Lewis-basic) pyramidalized reactive Ga-site, allowing for cooperative E-Y bond cleavage. In addition, the [2 + 2] cycloaddition of the Ga⇄Ga bond to C[double bond, length as m-dash]C double and triple bonds was studied: it follows a stepwise, non-concerted reaction mechanism, which allows for the catalytic isomerization of <i>cis</i>-olefins and may serve as the basis for follow-up functionalization reactions. Covalent bond ; Reactivity (psychology) ; Isomerization ; Reactive intermediate ; Double bond ; Cationic polymerization ; Catalysis ; Triple bond ; Cycloaddition Synthesis and characterization of novel inorganic/organometallic compounds ; Synthesis and Properties of Aromatic Compounds ; Organometallic Complex Synthesis and Catalysis
Authors: Barnabás Zsignár-Nagy | Attila Kunfi | Bence Gávay Pál | Péter J Mayer | Gábor London
Source: Organic Chemistry Frontiers (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Biphenylene-based all-carbon analogues of dithienylethene photoswitches We report the synthesis, photochemical and computational characterization of three novel diarylethene-type photoswitches bearing biphenylene moieties at different positions. Diarylethene ; Biphenylene ; Benzene ; Benzene derivatives ; Photochromism ; Ring (chemistry) Photochromic and Fluorescence Chemistry ; Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials