jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Verónica Jornet‐Mollá | Carlos J. Gómez‐García | Miquel J. Dolz-Lozano | Francisco M. Romero
Source: Magnetochemistry (article, 2025-04-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Lanthanoid Coordination Polymers Based on Homoditopic Picolinate Ligands: Synthesis, Structure and Magnetic Properties A ditopic ligand (H2L1), containing picolinate subunits segmented by ethynylene bridges, has been used in the synthesis of a series of isostructural coordination polymers, formulated as [(CH3)2NH2][Ln(L1)2]·H2O·CH3COOH, where Ln = Eu (1), Gd (2), Tb (3), Dy (4) and Ho (5). The single-crystal structures show that these compounds crystallise in the orthorhombic Pna21 space group and form 3D anionic lattices with triangular cavities. AC magnetic susceptibility measurements show that the Gd, Tb and Dy derivatives (2–4) present a slow relaxation in their magnetisation under an applied DC magnetic field. The detailed study of the AC susceptibility in compounds 2 and 4 shows that they relax following direct and Orbach mechanisms under these conditions. The Dy derivative (4) retains this behaviour in the absence of an external field, relaxing via quantum tunnelling and Orbach mechanisms. Compound 2 is one of the very few reported Gd(III) compounds showing slow relaxation in its magnetisation. Lanthanide ; Polymer ; Chemistry ; Crystallography ; Materials science ; Chemical physics ; Ion ; Organic chemistry Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Marharyta Hancharova | Aleksandra Dupla | Joanna Cabaj | Dorota Zając
Source: Journal of Inorganic and Organometallic Polymers and Materials (review, 2025-01-13)
Field: Materials Science — Materials Chemistry

Electrospinning vs Fluorescent Organic Nano-Dots: A Comparative Review of Nanotechnologies in Organoluminophores Utilization Abstract This review explores the pivotal roles of two advanced nanotechnologies—electrospinning (ES) and fluorescent organic nano-dots (FONs) in the development and application of organoluminophores (OLs). As demand intensifies for innovative OL-based systems in fields such as biomedical imaging, drug delivery, materials engineering, sensing, and energy, ES and FONs present complementary yet distinct technological pathways. Each method offers unique advantages in optimizing material properties, compatibility, and optical performance, positioning them at the forefront of OL-based research. ES enables precise control over material structure, enhancing performance for scalable industrial applications. FONs deliver superior optical properties, particularly for bio-imaging, through environmentally friendly synthesis. This comparative analysis critically examines the strengths and limitations of both techniques, including aspects of synthesis complexity, material adaptability, functional enhancement, and industrial utilization. Furthermore, recent advancements, ongoing challenges, and future prospects within this rapidly evolving field are discussed, providing a comprehensive perspective on the potential of these luminescent technologies to drive next-generation OL applications. Graphical Abstract Nanotechnology ; Electrospinning ; Adaptability ; Environmentally friendly ; Scalability ; Computer science ; Materials science ; Biochemical engineering ; Engineering ; Polymer Luminescence and Fluorescent Materials ; Conducting polymers and applications ; Molecular Sensors and Ion Detection
Authors: Napaporn Roamcharern | Daniel J. Brady | John A. Parkinson | Zahra Rattray | F. Philipp Seib
Source: ACS Applied Bio Materials (article, 2025-08-07)
Field: Materials Science — Biomaterials

Optimizing Silk Nanoparticle Assembly with Potassium Ions: Effects on Physicochemical Properties and Encapsulation Efficiency Silk fibroin is a promising biomaterial for nanocarrier-based drug delivery due to its biocompatibility, biodegradability, and tunable mechanical properties. In addition, the silk protein is amenable to various processing strategies, offering flexibility for optimizing particle characteristics. Emerging evidence highlights that metal ions can modulate silk conformation and structure in the silk gland, as well as influencing self-assembly, potentially impacting silk nanoparticle fabrication. Our previous study highlighted the potential of Ca<sup>2+</sup> in silk nanoparticle fabrication. However, other metal ions in the silk gland influence silk fibroin behavior too. Here, we investigate how potassium ions (K<sup>+</sup>), with similar abundance to Ca<sup>2+</sup> in the silkworm gland, influence silk nanoparticle formation as modulators of self-assembly and material properties, aiming to produce nanoparticles with distinct physicochemical profiles. We show that K<sup>+</sup> enhances silk assembly, increases nanoparticle size, alters surface charge (zeta potential), and boosts production yield, thereby minimizing silk wastage during silk nanoparticle preparation. Potassium ions also significantly improve payload encapsulation efficiency, making K<sup>+</sup> inclusion valuable for a range of drug-loading applications. The resulting silk nanoparticles exhibit reduced toxicity and inflammatory response, highlighting their promise as safe and effective nanocarrier candidates for drug delivery. Our findings establish K<sup>+</sup> as a fundamental yet powerful tool for tuning silk nanoparticle properties to meet pharmaceutical needs. SILK ; Fibroin ; Nanocarriers ; Nanoparticle ; Nanotechnology ; Biocompatibility ; Materials science ; Zeta potential ; Drug delivery ; Metal ions in aqueous solution ; Metal ; Composite material Silk-based biomaterials and applications ; Biochemical and Structural Characterization ; Antimicrobial Peptides and Activities
Authors: Bence Kontra | Zoltán Mucsi | Janez Ilaš | Petra Dunkel
Source: Medicinal Research Reviews (review, 2025-04-12)
Field: Materials Science — Materials Chemistry

The Quinoline Photoremovable Group (PPG) Platform—A Medicinal Chemist's Approach for Photocage Development and Applications Photoremovable protecting groups (PPGs) offer a straightforward solution for the temporary inactivation of biologically active substrates and their subsequent controlled release by light irradiation. Their relatively easy design and mode of application have made them useful tools for studying dynamic biological processes in vitro and in vivo. Recently, there has been a growing body of data investigating their potential application in the development of drug delivery systems. Of the various PPG scaffolds in use, quinoline photocages have a history of about 20 years. The structure-property relationships of quinoline PPGs, as well as alternative multibranch designs based on quinoline monomers have been thoroughly studied both experimentally and theoretically. Therefore, quinoline PPGs serve as a representative study of PPG development, showing how the various applications of quinoline photocages followed the chemical optimization or how the applications drove the chemical design. Since the raison d'être of PPGs lies in their application for light-activated release of various substrates or performing light-activated structural changes in materials, it is crucial to understand how PPGs are selected and utilized by their end-users, who are often not chemists themselves. Therefore, we discuss whether the conclusions drawn from the selected quinoline PPG family could lead to more general insights for the field as whole. As PPG-related applications still rely heavily on a limited number of chemical scaffolds, it is worth considering, what could be the reasons for the slow uptake of novel chemical scaffolds. Quinoline ; Combinatorial chemistry ; Computer science ; Nanotechnology ; Biochemical engineering ; Chemistry ; Materials science ; Organic chemistry ; Engineering Photochromic and Fluorescence Chemistry ; Nanoplatforms for cancer theranostics ; Click Chemistry and Applications
Authors: Xia Wang | Jingming Zhou | Yu Cheng | Hongmei Wu | Xin Su | R. Wang | Kaiyan Xiao | Weiwei Zhang | Zhong Chen | Bing Xu | Yusheng Lu | Hongqiang Qiu | Lijun Xie
Source: Communications Chemistry (article, 2025-06-07)
Field: Materials Science — Materials Chemistry

Hydrazone-based photocages for precise sub-organelle visualization and drug release Photocages are widely investigated for their bioimaging, controlled drug release, and cellular process modulation. Developing universal photoactive units can significantly expand the structural diversity of photocages. Herein, we developed a class of photoactive units based on the classic aldehyde-hydrazone moiety by conjugating several fluorescent aldehydes with various substituted phenylhydrazines. The resulting hydrazone-based photocages degraded upon exposure to light (365-450 nm), releasing fluorescent aldehydes. Fluorescent enhancements, redshifts or blueshifts were clearly observed during uncaging. For bio-application, morpholine-hydrazone based hybrid BW3MP, staurosporine-derived hybrids BW3STS and FY4STS were constructed. They exhibited high release efficiencies of MP (75.5%, BW3MP) and STSA (65.3%, BW3STS), respectively. BW3MP co-localized with a lysosome dye, exhibiting a Pearson correlation coefficient of 0.94. The biological activity of BW3STS was unmasked under irradiation, with a 4-fold increase in IC<sub>50</sub>. Our work developed photoactive units that hold significant promise for the constitution of general suitable drug delivery systems (DDSs). Hydrazone ; Organelle ; Visualization ; Drug ; Chemistry ; Computer science ; Pharmacology ; Medicine ; Stereochemistry ; Biochemistry ; Data mining Photochromic and Fluorescence Chemistry ; Click Chemistry and Applications ; Chemical Synthesis and Analysis
Authors: Hannah Bork | Harald Gröger
Source: European Journal of Organic Chemistry (article, 2025-02-01)
Field: Chemistry — Organic Chemistry

Regioselective Hydroformylation of α,β‐Unsaturated Esters: Impact of Reaction Parameters &amp; Reaction Optimization Abstract The hydroformylation of α,β‐unsaturated esters represents a highly atom‐economical route towards β‐aldehydes with potential application as precursors for derivatization to pharmaceuticals such as ( R )‐Baclofen or Pregabalin. Methyl 4‐chlorocinnamate as an α,β‐unsaturated ester has been rarely studied in hydroformylation, particularly with regard to a parameter screening for reaction optimization. In this work, regioselective hydroformylation of methyl 4‐chlorocinnamate to the desired β‐aldehyde utilizing a phosphine‐free Rh catalyst was investigated with a focus on identification of parameters with a significant effect on regioselectivity and selectivity to the β‐aldehyde amongst all products. Initially, reaction time, solvent, and catalyst loading were screened, followed by a reaction optimization using design of experiments (DoE). The reaction output was analyzed in relation to pressure, temperature and CO/H 2 composition revealing that while either regioselectivity or overall selectivity (termed selectivity) can attain high values, none of the conditions leads to optimal levels of both regioselectivity and selectivity. As predicted by the model, the experimental results under two different conditions demonstrated excellent regioselectivity (96 %) with medium selectivity (57 %) and high selectivity (78 %) with good regioselectivity (93 %). Expansion of the substrate scope to substituted methyl cinnamate derivatives showed significant influence of the substituents and, thus, their electronic effects on regioselectivity and selectivity. Chemistry ; Hydroformylation ; Regioselectivity ; Organic chemistry ; Reaction conditions ; Catalysis ; Combinatorial chemistry ; Rhodium Organometallic Complex Synthesis and Catalysis ; Carbon dioxide utilization in catalysis ; biodegradable polymer synthesis and properties
Authors: Niraj Nitish Patil | Abinaya Sankaran | Temilade Esther Adegoke | Kevin M. Ryan | Shalini Singh
Source: Small Structures (article, 2025-06-03)
Field: Materials Science — Materials Chemistry

Mechanistic Insights and Strategic Assembly of Tailored Novel Oxide‐Phosphide Heterostructure Nanocrystals The strategic design of heterostructure nanocrystals with controlled interfaces and compositions is a cornerstone for advancing catalytic and energy‐related applications. However, a comprehensive understanding of the underlying mechanisms governing the growth and functionality of these systems remains a significant bottleneck. Herein, a detailed mechanistic investigation and a strategic synthetic approach is presented for the synthesis of In 2 O 3 @Cu 2.7 P oxide‐phosphide heterostructures via facile one‐pot hot‐injection method. This synthesis strategy takes advantage of the differing redox potentials and reactivities of the precursors to sequentially nucleate and control the growth of distinct domains, a challenging feat in a one‐pot synthesis. This self‐regulated mechanism with the initial in situ formation of copper seeds, followed by the growth of In 2 O 3 on the copper surface and the controlled phosphorization of the copper domains, underscores the complex interplay between nucleation kinetics, growth processes, and interfacial energies. Through comprehensive structural and electrochemical characterization, this study offers invaluable insights into the growth mechanism, bridging a critical gap in understanding. The synthesized heterostructures are explored for their catalytic activity in the oxygen reduction reaction. This study provides a robust and predictive framework for the strategic design of advanced heterostructures with tunable functionalities for catalytic and energy conversion applications. Nanocrystal ; Phosphide ; Heterojunction ; Oxide ; Materials science ; Nanotechnology ; Indium phosphide ; Business ; Optoelectronics ; Metallurgy Copper-based nanomaterials and applications ; Electrocatalysts for Energy Conversion ; Quantum Dots Synthesis And Properties
Authors: Marco Ricci | Fabio Carniato | Alessia Corrado | Giuseppe Ferrauto | Enza Di Gregorio | Giovanni B. Giovenzana | Mauro Botta
Source: Nanoscale Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Comprehensive relaxometric analysis of Fe(<scp>iii</scp>) coordination polymer nanoparticles for <i>T</i><sub>1</sub>-MRI: unravelling the impact of coating on contrast enhancement Coordination polymer-based systems, particularly Fe(iii)-based polymers, are attracting increasing interest due to their well-controlled morphology, biocompatibility, and versatile surface functionalization. With five unpaired electrons, Fe(iii) offers a promising and safer alternative to Gd(iii) for MRI applications. While some studies have investigated low molecular weight Fe(iii) chelates for MRI, the exploration of Fe(iii)-based nanosystems as <i>T</i> <sub>1</sub> MRI probes remains limited. This study focuses on the synthesis of Fe(iii)/gallic acid nanoparticles functionalized with a low molecular weight polyethylene glycol (PEG) shell, designed to enhance the second-sphere water interaction and improve <i>r</i> <sub>1</sub> relaxivity at clinical magnetic fields. The <sup>1</sup>H NMR relaxometric properties of these nanoparticles were systematically analyzed as a function of proton Larmor frequencies and temperature, and their performance was compared with a similar system stabilized by polyvinylpyrrolidone (PVP). We aimed to determine the frequency dependence of relaxivity in Fe(iii)-based coordination polymers, and to assess the impact of coating modifications on their MRI contrast efficacy. This knowledge is crucial for the rational design of improved Fe(iii)-based nanoprobes, allowing for optimized performance in future MRI applications. Contrast (vision) ; Coating ; Coordination polymer ; Polymer ; Materials science ; Nanoparticle ; Nuclear magnetic resonance ; Chemistry ; Nanotechnology ; Physics ; Optics Lanthanide and Transition Metal Complexes ; Advanced MRI Techniques and Applications ; MRI in cancer diagnosis
Authors: Lin Yang | Yucheng Yin | Wenhui Niu | Yubin Fu | Fupin Liu | Hartmut Komber | Alexey A. Popov | Ji Ma | Xinliang Feng
Source: Organic Letters (article, 2025-09-05)
Field: Chemistry — Organic Chemistry

Asymmetric Triple Helical Nonbenzenoid Nanographenes with Controllable Helicene Lengths Helical nanographenes (NGs) play a crucial role in the development of chiral nanomaterials due to their distinctive optoelectronic and chiroptical properties. Herein, we report the efficient synthesis of two unprecedented azulene-embedded asymmetric triple helical NGs (<b>1</b> and <b>2</b>) with controllable helicene subunit lengths and π-extension. The crystallographic analysis confirms their highly twisted and asymmetric geometries. Both compounds exhibit narrow and tunable optical energy gaps (<b>1</b>: 1.74 eV; <b>2</b>: 1.63 eV), as determined by UV-vis absorption and cyclic voltammetry measurements. Moreover, the enantiomers of <b>1</b> display pronounced chiroptical activity with a <i>g</i><sub>abs</sub> of up to 3.1 × 10<sup>-3</sup>. Helicene ; Chemistry ; Triple helix ; Crystallography ; Nanotechnology ; Molecule ; Stereochemistry ; Materials science ; Organic chemistry Synthesis and Properties of Aromatic Compounds ; DNA and Nucleic Acid Chemistry ; Supramolecular Self-Assembly in Materials
Authors: Martin Cigánek | Claudio Vatteroni | Francesca Romana Lauro | Francesco Zinna | Gennaro Pescitelli | Jozef Krajčovič | Gianluigi Albano
Source: Organic & Biomolecular Chemistry (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Chiral diketopyrrolo[3,4-<i>c</i>]pyrrole dyes with different substitution symmetry: impact of adamantyl groups on the photo-physical properties in solution and thin films Here we propose a comparative study on four chiral 1,4-diketo-3,6-dithienylpyrrolo[3,4-<i>c</i>]pyrrole (DPP) dyes with different substitution symmetry on the lactam moieties: (i) symmetrically <i>N</i>-substituted dyes 1-2, bearing two (<i>S</i>)-β-citronellyl (DPP-CT) or (<i>S</i>)-2-methylbutyl (DPP-MT) chains; (ii) non-symmetrically <i>N</i>-substituted dyes 3-4, where an adamantylmethyl appendage replaced one of the (<i>S</i>)-β-citronellyl (DPP-ACT) or (<i>S</i>)-2-methylbutyl (DPP-AMT) chains. The four molecules were synthesized and subjected to detailed investigation of their photo-physical properties in solution (absorbance, fluorescence, cyclic voltammetry) and thin films (absorbance, electronic circular dichroism, optical microscopy), evaluating the impact of different chiral moieties (citronellyl <i>vs.</i> 2-methylbutyl chains) and of different substitution patterns exerted by the adamantane moiety (symmetrical <i>vs.</i> non-symmetrical DPPs). Special emphasis was given to the chiroptical study of thin films, discussing the origin of different supramolecular arrangements in the solid state. Putting together experimental and computational results, we rationalize the chiroptical behavior of these systems in comparison with that of other classes of DPP dyes recently investigated by our group. Pyrrole ; Substitution (logic) ; Symmetry (geometry) ; Chemistry ; Materials science ; Crystallography ; Organic chemistry ; Mathematics ; Geometry ; Computer science Porphyrin and Phthalocyanine Chemistry ; Photochromic and Fluorescence Chemistry ; Photochemistry and Electron Transfer Studies
Authors: Woo Hyun Kwon | Kyoung Kyu Choi | Sang Jun Park | G.E. Park | Cho Young Park | Yuna Seo | Chun‐Ho Kim | Jun Shik Choi
Source: Biomimetics (review, 2025-07-04)
Field: Materials Science — Biomaterials

Enhancing the Biological Functionality of Hydrogels Using Self-Assembling Peptides Hydrogels are ECM-mimicking three-dimensional (3D) networks that are widely used in biomedical applications; however, conventional natural and synthetic polymer-based hydrogels present limitations such as poor mechanical strength, limited bioactivity, and low reproducibility. Self-assembling peptides (SAPs) offer a promising alternative, as they can form micro- and nanostructured hydrogels through non-covalent interactions and allow precise control over their biofunctionality, mechanical properties, and responsiveness to biological cues. Through rational sequence design, SAPs can be engineered to exhibit tunable mechanical properties, controlled degradation rates, and multifunctionality, and can dynamically regulate assembly and degradation in response to specific stimuli such as pH, ionic strength, enzymatic cleavage, or temperature. Furthermore, SAPs have been successfully incorporated into conventional hydrogels to enhance cell adhesion, promote matrix remodeling, and provide a more physiologically relevant microenvironment. In this review, we summarize recent advances in SAP-based hydrogels, particularly focusing on their novel biofunctional properties such as anti-inflammatory, antimicrobial, and anticancer activities, as well as bioimaging capabilities, and discuss the mechanisms by which SAP hydrogels function in biological systems. Self-healing hydrogels ; Nanotechnology ; Rational design ; Ionic strength ; Materials science ; Chemistry ; Aqueous solution Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Antimicrobial Peptides and Activities
Authors: Ala’a F. Eftaiha | Buti Suryabrahmam | Nicholas B. Morris | Abdussalam K. Qaroush | Khaleel I. Assaf | Dina M. Foudeh | Suhad B. Hammad | Rana Ashkar
Source: Langmuir (article, 2025-01-25)
Field: Chemistry — Organic Chemistry

Modification of Liposomal Properties by an Engineered Gemini Surfactant Lipid membranes form the primary structure of cell membranes and serve as configurable interfaces across numerous applications including biosensing technologies, antifungal treatments, and therapeutic platforms. Therefore, the modification of lipid membranes by additives has important consequences in both biological processes and practical applications. In this study, we investigated a nicotinic-acid-based gemini surfactant (NAGS) as a chemically tunable molecular additive for modulating the structure and phase behavior of liposomal membranes. We specifically focused on NAGS with hydrocarbon chains that mirror those of lipid molecules. By introducing NAGS to phosphatidylcholine membranes with lipids of identical and varied chain lengths or degrees of unsaturation, we demonstrated the effects of headgroup interactions and chain mismatch between NAGS and membrane lipids. Using small-angle X-ray scattering, we showed that regardless of chain compatibility or mismatch, NAGS reduced the thickness and packing density of fluid lipid membranes. Further observations by fluorescence microscopy revealed the emergence of ordered-disordered domains upon cooling to room temperature. The observed phases were quite distinct from those of lipid membranes with analogous chain compositions, emphasizing the importance of NAGS headgroup chemistry in mediating domain formation and stabilization. These findings open new possibilities for exploiting NAGS in tuning the structure and organization of liposomal membranes with potential applications in drug delivery and biomedical imaging. Pulmonary surfactant ; Liposome ; Chemistry ; Surface modification ; Chemical engineering ; Nanotechnology ; Materials science ; Engineering ; Biochemistry ; Physical chemistry Surfactants and Colloidal Systems ; Lipid Membrane Structure and Behavior ; Nanoparticle-Based Drug Delivery