jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yaoguang Zhang | Shengjun Jiang | Dongdong Xu | Zubing Li | Jie Guo | Zhi Li | Gu Cheng
Source: Polymers (review, 2023-05-16)
Field: Materials Science — Biomaterials

Application of Nanocellulose-Based Aerogels in Bone Tissue Engineering: Current Trends and Outlooks The complex or compromised bone defects caused by osteomyelitis, malignant tumors, metastatic tumors, skeletal abnormalities, and systemic diseases are difficult to be self-repaired, leading to a non-union fracture. With the increasing demands of bone transplantation, more and more attention has been paid to artificial bone substitutes. As biopolymer-based aerogel materials, nanocellulose aerogels have been widely utilized in bone tissue engineering. More importantly, nanocellulose aerogels not only mimic the structure of the extracellular matrix but could also deliver drugs and bioactive molecules to promote tissue healing and growth. Here, we reviewed the most recent literature about nanocellulose-based aerogels, summarized the preparation, modification, composite fabrication, and applications of nanocellulose-based aerogels in bone tissue engineering, as well as giving special focus to the current limitations and future opportunities of nanocellulose aerogels for bone tissue engineering. Nanocellulose ; Materials science ; Biopolymer ; Aerogel ; Nanotechnology ; Extracellular matrix ; Tissue engineering ; Biomedical engineering ; Composite material ; Polymer ; Medicine ; Cellulose ; Chemical engineering ; Biology ; Engineering ; Cell biology Electrospun Nanofibers in Biomedical Applications ; biodegradable polymer synthesis and properties ; Bone Tissue Engineering Materials
Authors: Hui Wang | Genyuan Wang | Liang Hu | Bingcheng Ge | Xiaoliang Yu | Jiaojiao Deng
Source: Materials (review, 2023-02-15)
Field: Materials Science — Materials Chemistry

Porous Polymer Materials for CO2 Capture and Electrocatalytic Reduction Efficient capture of CO<sub>2</sub> and its conversion into other high value-added compounds by electrochemical methods is an effective way to reduce excess CO<sub>2</sub> in the atmosphere. Porous polymeric materials hold great promise for selective adsorption and electrocatalytic reduction of CO<sub>2</sub> due to their high specific surface area, tunable porosity, structural diversity, and chemical stability. Here, we review recent research advances in this field, including design of porous organic polymers (POPs), porous coordination polymers (PCPs), covalent organic frameworks (COFs), and functional nitrogen-containing polymers for capture and electrocatalytic reduction of CO<sub>2</sub>. In addition, key issues and prospects for the optimal design of porous polymers for future development are elucidated. This review is expected to shed new light on the development of advanced porous polymer electrocatalysts for efficient CO<sub>2</sub> reduction. Porosity ; Polymer ; Materials science ; Porous medium ; Adsorption ; Nanotechnology ; Chemical engineering ; Electrochemistry ; Electrode ; Organic chemistry ; Chemistry ; Composite material Covalent Organic Framework Applications ; CO2 Reduction Techniques and Catalysts ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Ying Yang | Siriluk Kanchanakungwankul | Suman Bhaumik | Qing Ma | Sol Ahn | Donald G. Truhlar | Joseph T. Hupp
Source: Journal of the American Chemical Society (article, 2023-10-02)
Field: Chemistry — Inorganic Chemistry

Bioinspired Cu(II) Defect Sites in ZIF-8 for Selective Methane Oxidation Activating the C-H bonds of alkanes without further oxidation to more thermodynamically stable products, CO and CO<sub>2</sub>, is a long-sought goal of catalytic chemistry. Inspired by the monocopper active site of methane monooxygenase, we synthesized a Cu-doped ZIF-8 metal-organic framework with 25% Cu and 75% Zn in the nodes and activated it by heating to 200 °C and dosing in a stepwise fashion with O<sub>2</sub>, methane, and steam. We found that it does oxidize methane to methanol and formaldehyde. The catalysis persists through at least five cycles, and beyond the third cycle, the selectivity improves to the extent that no CO<sub>2</sub> can be detected. Experimental characterization and analysis were carried out by PXRD, DRUV-vis, SEM, and XAS (XANES and EXAFS). The reaction is postulated to proceed at open-coordination copper sites generated by defects, and the mechanism of methanol production was explicated by density functional calculations with the revMO6-L exchange-correlation functional. The calculations reveal a catalytic cycle of oxygen-activated Cu<sup>I</sup> involving the conversion of two molecules of CH<sub>4</sub> to two molecules of CH<sub>3</sub>OH by a sequence of hydrogen atom transfer reactions and rebound steps. For most steps in the cycle, the reaction is more favored by singlet species than by triplets. Chemistry ; Catalysis ; Methanol ; Methane ; Catalytic cycle ; Molecule ; Extended X-ray absorption fine structure ; Partial oxidation ; Heterogeneous catalysis ; Formaldehyde ; Steam reforming ; Copper ; Inorganic chemistry ; Methane monooxygenase ; X-ray absorption spectroscopy ; Absorption spectroscopy ; Hydrogen production ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Advanced Nanomaterials in Catalysis
Authors: Feng Xie | Jiaqi Liu | W. David Graham | Saif Ullah | Eder Moisés Cedeño Morales | Kui Tan | Timo Thonhauser | Hao Wang | Jing Li
Source: Chemical Engineering Journal (article, 2023-08-01)
Field: Chemistry — Inorganic Chemistry

The effect of pore structure in ethane-selective metal-organic frameworks for ethylene purification Ethylene ; Selectivity ; Adsorption ; Metal-organic framework ; Petrochemical ; Selective adsorption ; Chemistry ; Chemical engineering ; Organic chemistry ; Materials science ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Enhanced Oil Recovery Techniques
Authors: Pasqualina Liana Scognamiglio | Claudia Riccardi | Rosanna Palumbo | Thomas F. Gale | Domenica Musumeci | Giovanni N. Roviello
Source: Journal of nanostructure in chemistry (article, 2023-02-10)
Field: Materials Science — Biomaterials

Self-assembly of thyminyl l-tryptophanamide (TrpT) building blocks for the potential development of drug delivery nanosystems Abstract The design, synthesis and characterization of a novel nucleoamino acid derivative based on an l -tryptophanamide functionalised with a thymine nucleobase (named TrpT) is here described. The novel construct’s tendency to self-assemble into supramolecular networks in aqueous solution was demonstrated by dynamic light scattering (DLS), circular dichroism (CD), fluorescence and UV spectroscopic measurements. TrpT nanoaggregates showed good stability (up to 5 h) at 140 µM and proved to comprise species of mean hydrodynamic diameter 330 nm and a homogeneous size distribution; scanning electron microscopy (SEM) analysis further revealed these to be spherical-shaped assemblies. The ability of TrpT nanoaggregates to bind curcumin, selected as a model anticancer drug, was also evaluated and its release was monitored over time by confocal microscopy. Molecular docking studies were performed on both TrpT self-assembly and curcumin-loaded nanoaggregates suggesting that the phytomolecule can be accommodated in the interior of the supramolecular network via hydrophobic ( π − π and π -alkyl) interactions; the formation of TrpT-curcumin adducts may improve the polarity of the highly-hydrophobic curcumin with a resulting logP closer to the optimal values expected for a good drug bioavailability, as estimated by the ADMETlab software. Finally, the high stability of TrpT nanoassembly in human serum, and the absence of significant toxic effects on human model cells in a cell viability assay, were also demonstrated. Despite its thymine-based scaffold, TrpT was shown not to bind adenine-bearing nucleic acids, suggesting that this interaction is hindered by its intrinsic propensity to self-assemble in preference to forming A-T base pairings. Instead, TrpT was able to interact with a serum protein such as bovine serum albumin (BSA), known to improve the bloodstream transportation and bioavailability of its cargo. Collectively, our findings support the potential use of TrpT for the development of new drug delivery systems. Graphical abstract Dynamic light scattering ; Supramolecular chemistry ; Curcumin ; Circular dichroism ; Chemistry ; Drug delivery ; Thymine ; Nucleobase ; Self-assembly ; Aqueous solution ; Fluorescence ; Combinatorial chemistry ; Hydrophobic effect ; Biophysics ; Stereochemistry ; Materials science ; Nanotechnology ; Nanoparticle ; Organic chemistry ; Biochemistry ; Molecule ; DNA Supramolecular Self-Assembly in Materials ; RNA Interference and Gene Delivery ; DNA and Nucleic Acid Chemistry
Authors: Dalal Mohamed Alshangiti | Mohamed Mohamady Ghobashy | Haifa A. Alqahtani | Tasneam K. El-damhougy | Mohamed Madani
Source: RSC Advances (review, 2023-01-01)
Field: Materials Science — Materials Chemistry

The energetic and physical concept of gold nanorod-dependent fluorescence in cancer treatment and development of new photonic compounds|review The optical features of gold nanorods (GNR) may be precisely controlled by manipulating their size, shape, and aspect ratio. This review explores the impact of these parameters on the optical tuning of (GNR). By altering the experimental conditions, like the addition of silver ions during the seed-mediated growth process, the aspect ratio of (GNR) may be regulated. The shape is trans from spherical to rod-like structures resulting in noticeable changes in the nanoparticles surface plasmons resonance (SPR) bands. The longitudinal SPR band, associated with electron oscillations along the long axis, exhibits a pronounced red shift into the (NIR) region as the aspect ratio increases. In contrast, the transverse SPR band remains relate unchanged. Using computational methods like the discrete dipole approximation (DDA) allows for analyzing absorption, scattering, and total extinction features of gold (G) nanoparticles. Studies have shown that increasing the aspect ratio enhances the scattering efficiency, indicating a higher scattering quantum yield (QY). These findings highlight the importance of size, shape, and aspect ratio in controlling the optical features of (GNR) providing valuable insights for various uses in nanophotonics and plasmonic-dependent fluorescence in cancer treatment and developing new photonic compound NRs. Nanorod ; Discrete dipole approximation ; Aspect ratio (aeronautics) ; Plasmon ; Materials science ; Scattering ; Quantum yield ; Nanophotonics ; Plasmonic nanoparticles ; Photonics ; Nanoparticle ; Surface plasmon resonance ; Extinction ratio ; Quantum dot ; Nanotechnology ; Optoelectronics ; Fluorescence ; Optics ; Wavelength ; Physics Nanoparticles: synthesis and applications ; Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications
Authors: Nicolás Jackson | Andrea C. Ortiz | Alejandro Jerez | Javier Morales | Francisco Arriagada
Source: Pharmaceutics (article, 2023-05-25)
Field: Materials Science — Biomaterials

Kinetics and Mechanism of Camptothecin Release from Transferrin-Gated Mesoporous Silica Nanoparticles through a pH-Responsive Surface Linker Stimuli-responsive nanomaterials have emerged as a promising strategy for inclusion in anticancer therapy. In particular, pH-responsive silica nanocarriers have been studied to provide controlled drug delivery in acidic tumor microenvironments. However, the intracellular microenvironment that the nanosystem must face has an impact on the anticancer effect; therefore, the design of the nanocarrier and the mechanisms that govern drug release play a crucial role in optimizing efficacy. Here, we synthesized and characterized mesoporous silica nanoparticles with transferrin conjugated on their surface via a pH-sensitive imine bond (MSN-Tf) to assess camptothecin (CPT) loading and release. The results showed that CPT-loaded MSN-Tf (MSN-Tf@CPT) had a size of ca. 90 nm, a zeta potential of -18.9 mV, and a loaded content of 13.4%. The release kinetic data best fit a first-order model, and the predominant mechanism was Fickian diffusion. Additionally, a three-parameter model demonstrated the drug-matrix interaction and impact of transferrin in controlling the release of CPT from the nanocarrier. Taken together, these results provide new insights into the behavior of a hydrophobic drug released from a pH-sensitive nanosystem. Nanocarriers ; Camptothecin ; Mesoporous silica ; Chemistry ; Zeta potential ; Nanoparticle ; Biophysics ; Transferrin ; Drug delivery ; Kinetics ; Linker ; Nanotechnology ; Combinatorial chemistry ; Mesoporous material ; Materials science ; Organic chemistry ; Biochemistry Nanoparticle-Based Drug Delivery ; Dendrimers and Hyperbranched Polymers ; Mesoporous Materials and Catalysis
Authors: Alexander Cook | Bruno Delgado Gonzalez | Jan C. M. van Hest
Source: Biomacromolecules (article, 2023-12-08)
Field: Materials Science — Surfaces, Coatings and Films

Tuning of Cationic Polymer Functionality in Complex Coacervate Artificial Cells for Optimized Enzyme Activity Complex coacervates are a versatile platform to mimic the structure of living cells. In both living systems and artificial cells, a macromolecularly crowded condensate phase has been shown to be able to modulate enzyme activity. Yet, how enzyme activity is affected by interactions (particularly with cationic charges) inside coacervates is not well studied. Here, we synthesized a series of amino-functional polymers to investigate the effect of the type of amine and charge density on coacervate formation, stability, protein partitioning, and enzyme function. The polymers were prepared by RAFT polymerization using as monomers aminoethyl methacrylate (AEAM), 2-(dimethylamino)ethyl methacrylate (DMAEMA), imidazolepropyl methacrylamide (IPMAm), and [2-(methacryloyloxy)ethyl] trimethylammonium chloride (TMAEMA). Membranized complex coacervate artificial cells were formed with these polycations and an anionic amylose derivative. Results show that polycations with reduced charge density result in higher protein mobility in the condensates and also higher enzyme activity. Insights described here could help guide the use of coacervate artificial cells in applications such as sensing, catalysis, and therapeutic formulations. Coacervate ; Methacrylamide ; Methacrylate ; Cationic polymerization ; Chemistry ; Functional polymers ; Polymer ; Polymerization ; Polymer chemistry ; Artificial enzyme ; Monomer ; Combinatorial chemistry ; Enzyme ; Organic chemistry ; Chromatography ; Acrylamide Polymer Surface Interaction Studies ; Pickering emulsions and particle stabilization ; Muscle metabolism and nutrition
Authors: Julita Pachla | Rafał J. Kopiasz | Gabriela Marek | Waldemar Tomaszewski | Agnieszka Głogowska | Karolina Drężek | Sebastian Kowalczyk | Rafał Podgórski | Beata A. Butruk-Raszeja | Tomasz Ciach | Jolanta Mierzejewska | Andrzej Plichta | Ewa Augustynowicz–Kopeć | Dominik Jańczewski
Source: Biomacromolecules (article, 2023-04-24)
Field: Chemistry — Organic Chemistry

Polytrimethylenimines: Highly Potent Antibacterial Agents with Activity and Toxicity Modulated by the Polymer Molecular Weight Cationic polymers have been extensively investigated as a potential replacement for traditional antibiotics. Here, we examined the effect of molecular weight (MW) on the antimicrobial, cytotoxic, and hemolytic activity of linear polytrimethylenimine (L-PTMI). The results indicate that the biological activity of the polymer sharply increases as MW increases. Thanks to a different position of the antibacterial activity and toxicity thresholds, tuning the MW of PTMI allows one to achieve a therapeutic window between antimicrobial activity and toxicity concentrations. L-PTMI presents significantly higher antimicrobial activity against model microorganisms than linear polyethylenimine (L-PEI) when polymers with a similar number of repeating units are compared. For the derivatives of L-PTMI and L-PEI, obtained through <i>N</i>-monomethylation and partial <i>N,N</i>-dimethylation of linear polyamines, the antimicrobial activity and toxicity were both reduced; however, resulting selectivity indices were higher. Selected materials were tested against clinical isolates of pathogens from the ESKAPE group and <i>Mycobacteria</i>, revealing good antibacterial properties of L-PTMI against antibiotic-resistant strains of Gram-positive and Gram-negative bacteria but limited antibacterial properties against <i>Mycobacteria</i>. Antimicrobial ; Polyethylenimine ; Antibacterial activity ; Chemistry ; Toxicity ; Antibiotics ; Bacteria ; Microbiology ; Biochemistry ; Organic chemistry ; Biology Antimicrobial agents and applications ; Antimicrobial Peptides and Activities ; Biopolymer Synthesis and Applications
Authors: Zhong H. W. Easton | Mike A. J. Essink | Laura Rodriguez Comas | Frederik R. Wurm | Hubert Gojżewski
Source: Macromolecular Chemistry and Physics (article, 2023-01-02)
Field: Materials Science — Biomaterials

Acceleration of Biodegradation Using Polymer Blends and Composites Abstract Biobased and biodegradable polymers are used in bioplastics as blends or composites of various materials to tune their physical properties but also influence their stability with respect to biodegradation. Biodegradable polymers are often not as biodegradable as they are claimed to be, especially due to different degradation conditions in soil, water, compost, or in vivo. Mixing such polymers with faster degrading polymers (blends) or fillers (composites) is a powerful strategy to adjust degradation rates. This review selects representative examples of bioplastic blends and composites in applications, such as tissue engineering, agriculture, or packaging, with a focus on controlling/accelerating the biodegradation rates. It also focuses on strategies such as hydrolysis enhancement, attraction of microbes for microbial degradation, pore forming fillers, or increase of phase separation in polymer mixtures. A basis for the prevention of microplastic formation or unwanted side effects with too slow degradation rates of biodegradable polymers is set. Biodegradation ; Bioplastic ; Polymer ; Degradation (telecommunications) ; Biodegradable polymer ; Materials science ; Composite material ; Hydrolysis ; Polymer blend ; Polymer degradation ; Chemistry ; Organic chemistry ; Waste management ; Copolymer biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Additive Manufacturing and 3D Printing Technologies
Authors: Shweta Kanungo | Neeta Gupta | Reena Negi | Bhawana Jain | Aruna Solanki | Ashutosh Panday | Poushali Das | Sayan Ganguly
Source: Journal of Functional Biomaterials (review, 2023-03-20)
Field: Materials Science — Materials Chemistry

Doped Carbon Quantum Dots Reinforced Hydrogels for Sustained Delivery of Molecular Cargo Hydrogels have emerged as important soft materials with numerous applications in fields including biomedicine, biomimetic smart materials, and electrochemistry. Because of their outstanding photo-physical properties and prolonged colloidal stability, the serendipitous findings of carbon quantum dots (CQDs) have introduced a new topic of investigation for materials scientists. CQDs confined polymeric hydrogel nanocomposites have emerged as novel materials with integrated properties of the individual constituents, resulting in vital uses in the realm of soft nanomaterials. Immobilizing CQDs within hydrogels has been shown to be a smart tactic for preventing the aggregation-caused quenching effect and also for manipulating the characteristics of hydrogels and introducing new properties. The combination of these two very different types of materials results in not only structural diversity but also significant improvements in many property aspects, leading to novel multifunctional materials. This review covers the synthesis of doped CQDs, different fabrication techniques for nanostructured materials made of CQDs and polymers, as well as their applications in sustained drug delivery. Finally, a brief overview of the present market and future perspectives are discussed. Self-healing hydrogels ; Nanotechnology ; Materials science ; Nanomaterials ; Carbon quantum dots ; Nanocomposite ; Smart material ; Quantum dot ; Soft materials ; Drug delivery ; Carbon fibers ; Polymer ; Composite material ; Composite number Carbon and Quantum Dots Applications ; Quantum Dots Synthesis And Properties ; Graphene and Nanomaterials Applications
Authors: Andrey N. Pravdivtsev | Kai Buckenmaier | Nicolas Kempf | Gabriele Stevanato | Klaus Scheffler | J Engelmann | Markus Plaumann | Rainer Koerber | Jan‐Bernd Hövener | Thomas Theis
Source: The Journal of Physical Chemistry C (article, 2023-04-04)
Field: Chemistry — Spectroscopy

LIGHT-SABRE Hyperpolarizes 1-<sup>13</sup>C-Pyruvate Continuously without Magnetic Field Cycling Nuclear spin hyperpolarization enables real-time observation of metabolism and intermolecular interactions <i>in vivo</i>. 1-<sup>13</sup>C-pyruvate is the leading hyperpolarized tracer currently under evaluation in several clinical trials as a promising molecular imaging agent. Still, the quest for a simple, fast, and efficient hyperpolarization technique is ongoing. Here, we describe that continuous, weak irradiation in the audio-frequency range of the <sup>13</sup>C spin at the 121 μT magnetic field (approximately twice Earth's field) enables spin order transfer from parahydrogen to <sup>13</sup>C magnetization of 1-<sup>13</sup>C-pyruvate. These so-called LIGHT-SABRE pulses couple nuclear spin states of parahydrogen and pyruvate via the <i>J</i>-coupling network of reversibly exchanging Ir-complexes. Using ∼100% parahydrogen at ambient pressure, we polarized 51 mM 1-<sup>13</sup>C-pyruvate in the presence of 5.1 mM Ir-complex continuously and repeatedly to a polarization of 1.1% averaged over free and catalyst-bound pyruvate. The experiments were conducted at -8 °C, where almost exclusively bound pyruvate was observed, corresponding to an estimated 11% polarization on bound pyruvate. The obtained hyperpolarization levels closely match those obtained via SABRE-SHEATH under otherwise identical conditions. The creation of three different types of spin orders was observed: transverse <sup>13</sup>C magnetization along the applied magnetic field, <sup>13</sup>C <i>z</i>-magnetization along the main field <i>B</i> <sub>0</sub>, and <sup>13</sup>C-<sup>1</sup>H <i>zz</i>-spin order. With a superconducting quantum interference device (SQUID) for detection, we found that the generated spin orders result from <sup>1</sup>H-<sup>13</sup>C <i>J</i>-coupling interactions, which are not visible even with our narrow linewidth below 0.3 Hz and at -8 °C. Hyperpolarization (physics) ; Spin isomers of hydrogen ; Magnetization ; Nuclear magnetic resonance ; Magnetization transfer ; Magnetic field ; Chemistry ; Polarization (electrochemistry) ; Condensed matter physics ; Physics ; Nuclear magnetic resonance spectroscopy ; Hydrogen ; Physical chemistry Advanced NMR Techniques and Applications ; Atomic and Subatomic Physics Research ; Solid-state spectroscopy and crystallography