jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Paul Cressey | Jason Wilson | Maral Amrahli | Maya Thanou
Source: Molecules (article, 2025-04-11)
Field: Materials Science — Biomaterials

Liposomes for Magnetic Resonance Image-Guided Drug Delivery; Lipid Chain Length Affects Drug Release and MRI Relaxivity Image-guided drug delivery is a method for tracking drug carriers for activation in specific lesions in the body. Image guidance uses the labelling of the drug or carrier and a clinically approved imaging modality. MRI (magnetic resonance image)-guided drug delivery has been considered for focused ultrasound tumour-targeted drug release. Liposomes are labelled for MRI tracking and the confirmation of drug delivery. In this study, we prepared two lipids conjugated to Gd-DOTA that confer MR imaging properties. Two lipid conjugates to DOTA, a C<sub>18</sub> (<b>LCA-1</b>) and a C<sub>16</sub> (<b>LCA-2</b>), were synthesised. The lipids were combined at different ratios within the lipid mix, and we investigated their effects on the liposome's T<sub>m</sub> using DSC (differential scanning calorimetry) and on relaxivity using NMR. The results show that when different combinations of <b>LCA-1</b> and <b>LCA-2</b> were introduced into the liposomes, their ratio affected both thermal drug release and relaxivity. As these lipids are part of the liposomal membrane, they confer tracking ability, and their effect on relaxivity due to thermal release could enable the confirmation of liposomal drug release using MRI at clinically relevant magnetic field strengths. Liposome ; Drug delivery ; Magnetic resonance imaging ; Drug ; Targeted drug delivery ; Differential scanning calorimetry ; Drug carrier ; Chemistry ; Biomedical engineering ; Nuclear magnetic resonance ; Medicine ; Pharmacology ; Radiology ; Biochemistry ; Organic chemistry Nanoparticle-Based Drug Delivery ; Lipid Membrane Structure and Behavior ; RNA Interference and Gene Delivery
Authors: Qian Zhang | Xia Tan | Yunfei Hu | Haonan Cui | Xiao Lin | Fei Li | Huibin Lei | Ou Zhuo
Source: Catalysts (article, 2025-10-22)
Field: Materials Science — Materials Chemistry

Pore Structure Modification of the Mixed Metal Oxides Derived from Co-Al Layered Double Hydroxides and Catalytic Performance Enhancement for Aerobic Oxidation of Benzyl Alcohol The mixed metal oxides (MMOs) derived from layered double hydroxides (LDHs) are a typical class of porous materials and have attracted significant attention across various fields due to their high surface area, rich porous structures and various compositions. Regulating the pore structure of MMOs remains an urgent need because of the growing demand for numerous applications including adsorption, catalysis, and energy conversion. Controlling the lateral size of the lamellar crystals in the Co–Al LDH precursor allowed us to engineer the pore structure of Co–Al MMO, an architecture formed by the stacking of these lamellar flakes. The pore size distribution of the Co–Al MMO has been adjusted in the range from several nanometer to hundreds of nanometers. The sample with the optimized pore sizes exhibited a much higher catalytic reaction rate in the aerobic oxidation reaction of benzyl alcohol, about 4.2 times that of the control sample. Further research demonstrated that the high activity was favored by the improved mass transfer rate in the optimized pore architecture. Moreover, sodium silicate was employed as a cross-linking agent to enhance the cohesion within the secondary particles, which consist of stacked lamellar flakes. The resulting silicate-modified Co–Al MMO demonstrated significantly improved catalytic durability, maintaining stable performance over five consecutive reuse cycles—the performance that substantially exceeded that of its un-modified counterpart. Lamellar structure ; Benzyl alcohol ; Layered double hydroxides ; Catalysis ; Porosity ; Intercalation (chemistry) ; Stacking ; Sodium silicate Layered Double Hydroxides Synthesis and Applications ; Catalytic Processes in Materials Science ; Mesoporous Materials and Catalysis
Authors: Irene Guerriero | Cristiano Pesce | Raffaele Spanò | Stefania Sganga | Nicola Tirelli | Daniele Di Mascolo | Anna Lisa Palange | Paolo Decuzzi
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-01-19)
Field: Chemistry — Organic Chemistry

On the biodegradation of micropatterned polymeric films A bstract Polymeric implants for local drug delivery offer significant advantages for treating various medical conditions by enabling the temporal and spatial control of drug release, improving efficacy, and reducing systemic side effects. In this context, µMESH, a 20 μm thin, dual-compartmentalized film comprising a poly(lactic-co-glycolic acid) (PLGA) micronetwork intercalated with a polyvinyl alcohol (PVA) microlayer, represents an interesting opportunity as its geometry can be systematically and accurately micropatterned during the fabrication process, enabling the systematic analysis of the effect of geometry on biodegradation rates mechanisms. In this study, four different µMESH films were realized with different surface area-to-volume ratios ( S a / V ), ranging from 0.67 to 1.7 µm −1 . After characterizing the µMESH geometry via fluorescent and scanning electron microscopy, biodegradations studies were performed up to 60 days in different media to assess the mass loss of PLGA, the reduction in PLGA molecular weight, and the formation of macroscopic defects – pores, holes and crack – within the PLGA micronetwork. By comparing the four µMESH films among themselves and to a flat, continuous PLGA slab (FLAT), it was confirmed the importance of the surface-to-volume ratio and demonstrated that µMESH with higher S a / V ratios exhibited slower degradation rates compared to FLAT. Scanning electron microscopy images of the PLGA micronetworks revealed morphological changes indicative of bulk erosion, including surface roughening and pore formation, in FLAT and µMESH configurations with low S a / V ratios. These findings confirm that film micropatterning significantly influences degradation kinetics. Biodegradation ; Materials science ; Chemical engineering ; Polymer science ; Composite material ; Chemistry ; Organic chemistry ; Engineering Advanced Polymer Synthesis and Characterization ; Polymer Surface Interaction Studies ; Nanofabrication and Lithography Techniques
Authors: Furao Wang | Jinjian Lin | Tao Liao | Kexu Bao | Rongzhen Fu | Ruifeng Zhao | Jichuan Zhang
Source: Macromolecular Materials and Engineering (article, 2025-02-20)
Field: Materials Science — Polymers and Plastics

<i>Eucommia Ulmoides</i> Gum Soft‐Hard Gradient Composite Materials with Shape Memory Property Abstract Eucommia Ulmoides gum (EUG) is a natural polymer material with unique “rubber‐plastic duality” and good shape memory properties. In this paper, the hardness of EUG is greatly reduced by adjusting the cross‐linking density and adding physical microspheres for foaming. The results show that the more sulfur and foamed microspheres are used, the lower the hardness of EUG, the greater the deformation of the material, and the smaller the penetration force. By adjusting the amount of foaming agent, a series of lightweight and high‐toughness foamed EUG can be obtained. The EUG, natural rubber (NR) and foamed EUG are prepared into a hardness gradient composite material with a shape memory characteristic through a co‐vulcanization process, according to scanning electron microscope (SEM) observation and 180° peel test results, the three rubber materials has good binding force without the help of adhesive. Each unit of thickness of the composite material can reduce the external impact force by up to 11.6%. In addition, under heating conditions, it only takes 30 s for the crystalline EUG to return to its original shape. The prepared soft‐hard gradient sports composite material has a high reduction of external impact force per unit thickness, showing an excellent impact protection effect. Materials science ; Composite material ; Composite number ; Toughness ; Vulcanization ; Adhesive ; Natural rubber Polymer composites and self-healing ; Cellular and Composite Structures ; Polymer Nanocomposites and Properties
Authors: Andrzej Dzienia | Patrycja Taborowska | Paweł Kubica-Cypek | Dawid Janas
Source: Materials Horizons (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Programing optical properties of single-walled carbon nanotubes with benzoyl peroxide derivatives of tailored chemical characteristics Semiconducting single-walled carbon nanotubes (SWCNTs) have great potential for optoelectronics and photonics, further enhanced by covalent functionalization. However, scalable and controlled surface modification is challenging due to complex methodologies and unstable reagents. Benzoyl peroxide (BPO) has emerged as a simple alternative for introducing luminescent defects into SWCNTs. Yet, the lack of understanding of its radical chemistry limits precise defect engineering using BPOs. This is a major obstacle to the effective application of BPO in chemistry, despite its widespread use as a radical initiator. We present a thorough investigation into the radical chemistry of self-synthesized BPOs for functionalizing polymer-wrapped (6,5) and (7,5) SWCNTs in non-polar solvents, providing critical insights into the decomposition of BPO and its analogs. By varying the electronic and steric properties of typically unavailable BPO derivatives, we demonstrate tunability over the photoluminescence characteristics of SWCNTs, allowing control over defect density and light emission wavelength. This toolbox of BPO derivatives, created with simple radical chemistry and accessible organic precursors, alongside clarified structure-property relationships, facilitates effective implementation of BPO in chemical transformations and meticulous engineering of luminescent defects in SWCNTs for optoelectronic applications. Notably, this research offers insights into why SWCNTs modified with electron-deficient reactants provide the best optical characteristics. Carbon nanotube ; Photoluminescence ; Luminescence ; Covalent bond ; Benzoyl peroxide ; Steric effects ; Surface modification Carbon Nanotubes in Composites ; Mechanical and Optical Resonators ; Fullerene Chemistry and Applications
Authors: Maria D’Aloia | René López | Simona Villata | Nicolò Vasile | Enrique Martínez‐Campos | Lucita Jimenez | Candido Fabrizio Pirri | Francesca Frascella | Paula Bosch | Ignazio Roppolo
Source: Applied Materials Today (article, 2025-05-17)
Field: Chemistry — Organic Chemistry

3D-printed antibacterial filters obtained via digital light processing exploiting surface microwaves functionalization with natural amino acids • Complex filters were designed via cfd-guided design. • The structures were then succefully 3D Printed employing vat photopolymerization technologies. • The 3D filter were functionalized with amino acido via green MW approach,imparting antibacterial properties. 3D printing based on Digital Light Processing (DLP) technology was used to develop antibacterial filters, combining design versatility and manufacturing precision. The advantages of 3D printing, including the ability to produce complex geometries, reduction of material waste, and rapid iteration between design and production, were exploited to make two different filter configurations. In addition, these geometries were analyzed by computational fluid dynamics (CFD) to evaluate and compare their effectiveness in terms of flow distribution and antibacterial potential. The filters were successfully printed using photosensitive resins based on polyethylene glycol diacrylate (PEGDA), acrylic acid (AA) and glycidyl methacrylate (GMA). Subsequently, they were subjected to functionalization processes that employed various chemical techniques and functional molecules, notably arginine and agmatine, which antibacterial activity has been widely demonstrated. These processes enabled the incorporation of specific groups aimed at bacterial adhesion and inactivation. Characterization of the degree of functionalization was conducted by spectroscopic and microscopic techniques, confirming the effectiveness of the surface treatment. Finally, the filters were tested against Gram-positive and Gram-negative bacteria to evaluate their antibacterial efficacy. Results showed a significant reduction in bacterial viability for agmatine-functionalized PEGDA/GMA-based filters, demonstrating that both filter design and functionalization play a crucial role in achieving high antibacterial performance. The results for the other filters, however, were uncertain, and further analysis will be needed. This study, however, confirms the potential of DLP technology, which, together with appropriate functionalization methods, suggests new possibilities for the development of customizable and functional devices. Surface modification ; Microwave ; Materials science ; Surface (topology) ; Computer science ; Mathematics ; Engineering ; Telecommunications ; Chemical engineering Polydiacetylene-based materials and applications ; Antimicrobial Peptides and Activities ; Bacteriophages and microbial interactions
Authors: Linlin Shi | Mengyan Guo | Mengya Xu | Er‐Qing Li | Junbiao Chang | Bin Yu
Source: National Science Review (article, 2025-10-17)
Field: Chemistry — Inorganic Chemistry

Newly developed Pd/ZU-Phos/DBN cooperative catalysis enables enantioselective [4+2] annulations for efficient synthesis of diverse spirocyclic scaffolds Chiral ligands are essential for asymmetric catalysis, as they greatly improve the chemical selectivity of the catalytic process. The cooperative action of multiple ligands may enhance catalytic efficiency and selectivity by optimizing individual steps within the catalytic cycle. Here, we synthesized a series of novel P-chiral ligands (<b>ZU-Phos</b>) that enabled highly efficient asymmetric [4+2] annulations of 1,2-disubstituted allylic carbonates with activated olefins, yielding a variety of optically active and medicinally relevant spirocyclic scaffolds in yields of ≤96% and with ≤98% ee through a novel dual coordination mechanism. Mechanistic investigations disclosed that 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) served a dual function as a Brønsted base and formed a unique mixed ligated Pd/<b>ZU-Phos</b>/DBN complex. This study highlights the distinctive benefits of Pd/<b>ZU-Phos</b> ligand catalysis and underscores the efficacy of the dual-ligand system in broadening the scope of palladium-catalysed reactions. Density functional theory calculations showcase that DBN modulated the catalytic activity of the palladium catalysts via weak coordination and enhanced product enantioselectivity by stabilizing the chiral environment through weak interactions with phosphorus ligands. Catalysis ; Selectivity ; Enantioselective synthesis ; Ligand (biochemistry) ; Allylic rearrangement ; Optically active Asymmetric Hydrogenation and Catalysis ; Asymmetric Synthesis and Catalysis ; Chemical Synthesis and Analysis
Authors: Samuel M. Shabangu | Alan C. Eaby | Lilia Croitor | Andrey A. Bezrukov | Michael J. Zaworotko
Source: CrystEngComm (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Water vapour sorption properties of a family of square lattice topology porous coordination networks Porous coordination networks (PCNs) such as metal-organic frameworks are of topical interest thanks to their potential utility as sorbents for gas and vapour separations and/or storage. Interpenetrated PCNs, some of which offer promise for gas separations, remain relatively understudied in the context of water vapour sorption. Herein, we report an in-depth study of the water vapour sorption properties of a family of square lattice topology (<b>sql</b>) PCNs of general formula <b>sql-[bipy,squa]-M-aqua</b> (<b>sql-M-aqua</b>, M = Mn, Co, Ni, Zn, bipy = 4,4-bipyridine, squa = squarate). This family, several of which have been previously reported (Co, Ni, Mn), exist as rectangular grids that exhibit 2-fold inclined interpenetration, thereby forming ultramicroporous 3D supramolecular networks. Water vapour sorption studies of <b>sql-M-aqua</b> (M = Mn, Co, Ni, Zn) revealed S-shaped water vapour sorption isotherms with steps consistently below 10% relative humidity (RH) and little hysteresis. Such properties are pertinent to atmospheric water harvesting in arid regions (<30% RH). Water vapour humidity swing experiments (0-30% RH, 300 K) indicated hydrolytic stability for <b>sql-M-aqua</b> (M = Mn, Co, Ni, Zn) and retention of working capacity over 100 sorption/desorption cycles. <b>sql-M-aqua</b> (M = Mn, Co, Ni, Zn) also exhibit CO<sub>2</sub>/N<sub>2</sub> selectivity. Sorption ; Porosity ; Square lattice ; Materials science ; Square (algebra) ; Topology (electrical circuits) ; Lattice (music) ; Coordination number ; Porous medium ; Chemical engineering ; Crystallography ; Chemistry ; Condensed matter physics ; Physics ; Physical chemistry ; Mathematics ; Organic chemistry ; Ion ; Adsorption ; Engineering ; Combinatorics ; Composite material ; Geometry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Sulfur Compounds in Biology
Authors: Ren‐Rui Xu | Chang‐Sheng Kuai | Xiao‐Feng Wu
Source: ChemistryEurope (article, 2025-02-07)
Field: Chemistry — Organic Chemistry

Palladium‐Catalyzed Selectivity Controlled Highly Efficient Carbonylative Synthesis of Isoquinoline‐1,3(2<i>H</i>,4<i>H</i>)‐diones and Indanones Abstract Compared to the methods that rely on complex and structurally unique substrates for the synthesis of heterocyclic compounds through intra‐ and intermolecular cyclization, strategies starting from simple and readily available substrates, combined with finely tuned catalytic system to achieve different chemoselectivity, offer significant advantages in terms of efficiency, cost‐effectiveness, and versatility. Herein, we present a palladium‐catalyzed carbonylation strategy that enables the selective and efficient synthesis of isoquinoline‐1,3(2 H ,4 H )‐dione and indanone derivatives via distinct reaction pathways. Notably, the chemoselectivity was not determined by the differences in reactivity at the reaction sites but instead arises from the generation of distinct active palladium species under nearly identical reaction conditions, which subsequently react on the same reaction site but lead to different products. Chemoselectivity ; Isoquinoline ; Chemistry ; Carbonylation ; Catalysis ; Palladium ; Combinatorial chemistry ; Selectivity ; Organic chemistry ; Carbon monoxide Catalytic C–H Functionalization Methods ; Synthesis and Biological Activity ; Synthesis and Catalytic Reactions
Authors: Hongsong Lian | Jin Huang | Yonghua Lai | Huixin Liu | Dongsheng Zheng | Xiaowei Song | Hongye Yuan
Source: IET Nanodielectrics (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Preparation of metal–organic framework nanosheets with electron‐rich groups for SO <sub>2</sub> adsorption Abstract Metal–organic frameworks (MOFs), as a new type of porous crystalline materials, hold great promise for gas purification in electrical insulation equipment, especially for the selective capture of SO 2 produced from the decomposition of SF 6 . However, challenges remain in the design and synthesis of MOF‐based adsorbents with salient SO 2 adsorption performance due to the limited effective interactions with SO 2 molecules. This study reports the successful direct synthesis of two‐dimensional (2D) MOFs nanosheets coordinated by Zr 4+ and tridentate carboxylic organic ligands with nitrogen‐containing electron‐rich groups within the organic ligands. The resulting MOF nanosheets exhibit enhanced interactions with SO 2 molecules due to the spatial location and electronic properties of the nitrogen groups, thereby conducing to the adsorption of SO 2 . Additionally, by precisely controlling the positioning of nitrogen groups, the Zr‐BTB‐NH 2 (BTB‐NH 2 : 1,1′:3′,1″‐Terphenyl]‐4,4″‐dicarboxylic acid, 3,3″‐diamino‐5′‐(3‐amino‐4‐carboxyphenyl) and Zr‐TPY (TPY: 4′‐(4‐carboxyphenyl)‐[2,2′:6′,2″‐terpyridine]‐5,5″‐dicarboxylic acid) MOFs synthesised in this study achieve differentiated SO 2 adsorption capacities of 39.3 cm³·g⁻ 1 and 66.3 cm³·g⁻ 1 , respectively, surpassing those of several previously reported MOFs. This strategy provides a novel design strategy for developing efficient SO 2 absorbents and lays a foundation for the further development of absorbents promising for gas remediation in electrical insulation equipment. Adsorption ; Electron ; Metal ; Metal-organic framework ; Materials science ; Chemical engineering ; Inorganic chemistry ; Chemistry ; Nanotechnology ; Organic chemistry ; Metallurgy ; Physics ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Industrial Gas Emission Control ; Catalytic Processes in Materials Science
Authors: Evelyn R. Morton | Michael J. Porter | James R. Baker | Vijay Chudasama | Cally J. E. Haynes
Source: Organic & Biomolecular Chemistry (article, 2025-01-01)
Field: Chemistry — Spectroscopy

Bis-amino maleimides: a new class of dual hydrogen bond donor for anion binding and transport Dual hydrogen bond donor scaffolds are used in the design of numerous supramolecular receptors and play an important role in the specific recognition, reaction and transport of anionic guests. In this work, we detail the synthesis of symmetrical and unsymmetrical bis-amino maleimides as dual hydrogen bond donors and report their anion recognition and transport properties. DFT studies provide insight into the conformational preferences and binding properties of these receptors. Compared to existing dual hydrogen bond donors, the bis-amino maleimide motif contains an additional handle for synthetic functionalisation and thus offers the opportunity to tune the substituent properties to fit a desired function. Hydrogen bond ; Substituent ; Supramolecular chemistry ; Maleimide ; Dual (grammatical number) ; Ion ; Dual role Molecular Sensors and Ion Detection ; Chemical Synthesis and Analysis ; Crystallography and molecular interactions
Authors: Lucile Bridou | Loeza Collobert | Kyangwi P. Malikidogo | Salauat R. Kiraev | Maher Hojorat | Nadège Hamon | Anh-Thy Bui | François Riobé | Ákos Bányász | Maryline Beyler | Raphaël Tripier | Olivier Sénèque | Olivier Maury
Source: ChemRxiv (preprint, 2025-01-10)
Field: Materials Science — Materials Chemistry

Exploring Photophysical Properties and Sensitivity to Dioxygen in Anisolyl-Picolinate Antenna Conjugated to Azamacrocycles An anisolyl-picolinate antenna grafted onto different macrocyclic ligands such as tacn, pyclen or cyclen renders the resulting terbium (III) complexes highly sensitive towards oxygen in aqueous solutions, enabling the design of ratiometric or lifetime-based molecular sensors. The underlying sensitization mechanism was investigated on analogous Gd(III) complexes and the oxygen sensitivity was studied using transient absorption spectroscopy. The antenna-based triplet lifetime increased up to 900-fold upon degassing, underscoring the role of the ligand excited states in designing highly sensitive oxygen probes. Conjugated system ; Sensitivity (control systems) ; Antenna (radio) ; Photochemistry ; Chemistry ; Computer science ; Telecommunications ; Engineering ; Organic chemistry ; Polymer ; Electronic engineering Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Conducting polymers and applications