jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Kamyar Shameli | Syamim Arsyad Saiful | Mostafa Yusefi
Source: Journal of Research in Nanoscience and Nanotechnology (article, 2022-04-18)
Field: Chemistry — Organic Chemistry

Cross-linked Chitosan-Based Hydrogels Nanocomposites for Treatment of Disease Chitosan nanoparticles can be used in many types of applications such as food packaging, cosmetics and biomedical field. Chitosan can be modified to form chitosan-based hydrogels for antiviral purpose. Chitosan-based hydrogels are commonly used in wound healing, tissue engineering and drug delivery. This study explains about the properties and the applications of chitosan-based hydrogels since there were not much paper or research about chitosan-based hydrogels used as antiviral agent. Usually, many researchers did some studies about antiviral application focusing only on chitosan itself but not specifically into chitosan-based hydrogels. The properties of chitosan are also not well explained in some research. The purpose of this study is to investigate the antiviral application of chitosan-based hydrogels based on chitosan properties. Chitosan ; Self-healing hydrogels ; Drug delivery ; Materials science ; Cosmetics ; Nanotechnology ; Chemistry ; Polymer chemistry ; Organic chemistry Polydiacetylene-based materials and applications
Authors: Xiaohan Sun | Angel Tan | Ben J. Boyd
Source: Wiley Interdisciplinary Reviews Nanomedicine and Nanobiotechnology (review, 2022-11-25)
Field: Materials Science — Biomaterials

Magnetically‐activated lipid nanocarriers in biomedical applications: A review of current status and perspective Magnetically-activated lipid nanocarriers have become a research hotspot in the field of biomedicine. Liposomes and other lipid-based carriers possess good biocompatibility as well as the ability to carrying therapeutic cargo with a range of physicochemical properties. Previous studies have demonstrated that magnetic materials have potential wide applications in clinical diagnosis and therapy, such as in MRI as contrast agents and in hyperthermic obliteration of cancer tissues. More recently magneto-thermal activation of lipid carriers to stimulate drug release has extended the range of further therapeutic benefits. Here, an overview of the current development of magnetically-activated lipid nanocarriers in the field of biomedicine is provided, including the methods of fabrication of the nanocarriers and their in vitro and in vivo performance. A discussion of the current barriers to translation of these materials as medicines is provided in the context of clinical and regulatory complexities of using magnetically responsive materials in therapeutic applications. This article is categorized under: Therapeutic Approaches and Drug Discovery > Emerging Technologies Biology-Inspired Nanomaterials > Lipid-Based Structures Implantable Materials and Surgical Technologies > Nanomaterials and Implants. Nanocarriers ; Perspective (graphical) ; Nanotechnology ; Materials science ; Engineering ethics ; Medicine ; Engineering ; Computer science ; Drug delivery Nanoparticle-Based Drug Delivery ; Lipid Membrane Structure and Behavior ; Characterization and Applications of Magnetic Nanoparticles
Authors: Ehsan Hamzehpoor | Cory Ruchlin | Yuze Tao | Chenghao Liu | Hatem M. Titi | Dmitrii F. Perepichka
Source: ChemRxiv (preprint, 2022-10-11)
Field: Materials Science — Materials Chemistry

Efficient Room-Temperature Phosphorescence of Covalent Organic Frameworks through Covalent Halogen Doping Organic room-temperature phosphorescence, a spin-forbidden radiative process, has emerged as an interesting but rare phenomenon with multiple potential applications in optoelectronic devices, biosensing, and anticounterfeiting. Covalent organic frameworks (COFs) with accessible nanoscale porosity and precisely engineered topology can offer unique benefits in the design of phosphorescent materials, which are presently unexplored. Here, we report an original approach of covalent doping, whereby a bi-component COF is synthesized by copolymerization of halogenated and unsubstituted phenyldiboronic acids, allowing for random distribution of functionalized units at varying ratios, yielding highly phosphorescent COFs. Such controlled halogen doping enhances the intersystem crossing while minimizing the triplet-triplet annihilation by diluting the phosphors. The rigidity of the COF suppresses vibrational relaxation and allows high phosphorescence quantum yield (Φ(phos) <29%) at room-temperature. The permanent porosity of the COFs and the combination of the singlet and triplet emitting channels enable a highly efficient COF-based oxygen sensor, with an ultra-wide dynamic detection range, ~ 10^3…10^-5 torr of partial oxygen pressure. Phosphorescence ; Intersystem crossing ; Materials science ; Doping ; Covalent bond ; Covalent organic framework ; Photochemistry ; Singlet oxygen ; Porosity ; Quantum yield ; Singlet state ; Nanotechnology ; Fluorescence ; Optoelectronics ; Chemistry ; Oxygen ; Organic chemistry ; Atomic physics ; Physics ; Excited state ; Optics Luminescence and Fluorescent Materials ; Covalent Organic Framework Applications ; Perovskite Materials and Applications
Authors: Rossella Migliore | Tarita Biver | Giampaolo Barone | Carmelo Sgarlata
Source: Biomolecules (review, 2022-03-07)
Field: Chemistry — Organic Chemistry

Quantitative Analysis of the Interactions of Metal Complexes and Amphiphilic Systems: Calorimetric, Spectroscopic and Theoretical Aspects Metals and metal-based compounds have many implications in biological systems. They are involved in cellular functions, employed in the formation of metal-based drugs and present as pollutants in aqueous systems, with toxic effects for living organisms. Amphiphilic molecules also play important roles in the above bio-related fields as models of membranes, nanocarriers for drug delivery and bioremediating agents. Despite the interest in complex systems involving both metal species and surfactant aggregates, there is still insufficient knowledge regarding the quantitative aspects at the basis of their binding interactions, which are crucial for extensive comprehension of their behavior in solution. Only a few papers have reported quantitative analyses of the thermodynamic, kinetic, speciation and binding features of metal-based compounds and amphiphilic aggregates, and no literature review has yet addressed the quantitative study of these complexes. Here, we summarize and critically discuss the recent contributions to the quantitative investigation of the interactions of metal-based systems with assemblies made of amphiphilic molecules by calorimetric, spectrophotometric and computational techniques, emphasizing the unique picture and parameters that such an analytical approach may provide, to support a deep understanding and beneficial use of these systems for several applications. Amphiphile ; Nanocarriers ; Chemistry ; Nanotechnology ; Biochemical engineering ; Drug delivery ; Combinatorial chemistry ; Materials science ; Organic chemistry ; Polymer ; Copolymer Surfactants and Colloidal Systems ; Free Radicals and Antioxidants ; Chemical and Physical Properties in Aqueous Solutions
Authors: Darya A. Stepanova | Vladislava A. Pigareva | A. K. Berkovich | А. В. Большакова | Vasiliy V. Spiridonov | Irina D. Grozdova | Andrey V. Sybachin
Source: Polymers (article, 2022-09-25)
Field: Materials Science — Biomaterials

Ultrasonic Film Rehydration Synthesis of Mixed Polylactide Micelles for Enzyme-Resistant Drug Delivery Nanovehicles A facile technique for the preparation of mixed polylactide micelles from amorphous poly-D,L-lactide-block-polyethyleneglycol and crystalline amino-terminated poly-L-lactide is described. In comparison to the classical routine solvent substitution method, the ultrasonication assisted formation of polymer micelles allows shortening of the preparation time from several days to 15–20 min. The structure and morphology of mixed micelles were analyzed with the assistance of electron microscopy, dynamic and static light scattering and differential scanning calorimetery. The resulting polymer micelles have a hydrodynamic radius of about 150 nm and a narrow size distribution. The average molecular weight of micelles was found to be 2.1 × 107 and the aggregation number was calculated to be 6000. The obtained biocompatible particles were shown to possess low cytotoxicity, high colloid stability and high stability towards enzymatic hydrolysis. The possible application of mixed polylactide micelles as drug delivery vehicles was studied for the antitumor hydrophobic drug paclitaxel. The lethal concentration (LC50) of paclitaxel encapsulated in polylactide micelles was found to be 42 ± 4 µg/mL—a value equal to the LC50 of paclitaxel in the commercial drug Paclitaxel-Teva. Micelle ; Drug delivery ; Ultrasonic sensor ; Materials science ; Drug ; Nanotechnology ; Chemistry ; Organic chemistry ; Pharmacology ; Medicine ; Aqueous solution Nanoparticle-Based Drug Delivery ; Bone Tissue Engineering Materials ; Polymer Surface Interaction Studies
Authors: Jingyi An | Ling Zhao | Ranran Duan | Ke Sun | Wenxin Lu | Jiali Yang | Yan Liang | Junjie Liu | Zhenzhong Zhang | Li Li | Jinjin Shi
Source: CNS Neuroscience & Therapeutics (review, 2022-03-04)
Field: Materials Science — Biomaterials

Potential nanotherapeutic strategies for perioperative stroke In this review, the pathological processes and mechanisms of ischemic stroke during perioperative stroke onset were systematically sorted. As a potential treatment strategy for perioperative stroke, the review also summarizes the multifunctional nanodelivery systems based on ischemic stroke, thus providing insight into the nanotherapeutic strategies for perioperative stroke. Perioperative ; Stroke (engine) ; Medicine ; Pathological ; Intensive care medicine ; Internal medicine ; Surgery Nanoparticle-Based Drug Delivery ; Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics
Authors: Adrián Vicente | Pedro J. Rivero | Unai Urdiroz | Paloma García | Julio Mora | José F. Palacio | F. J. Palomares | Rafael Rodríguez
Source: Polymers (article, 2022-10-16)
Field: Materials Science — Surfaces, Coatings and Films

Novel Design of Superhydrophobic and Anticorrosive PTFE and PAA + β − CD Composite Coating Deposited by Electrospinning, Spin Coating and Electrospraying Techniques A superhydrophobic composite coating consisting of polytetrafluoroethylene (PTFE) and poly(acrylic acid)+ β-cyclodextrin (PAA + β-CD) was prepared on an aluminum alloy AA 6061T6 substrate by a three-step process of electrospinnig, spin coating, and electrospraying. The electrospinning technique is used for the fabrication of a polymeric binder layer synthesized from PAA + β-CD. The superhydrophilic characteristic of the electrospun PAA + β-CD layer makes it suitable for the absorption of an aqueous suspension with PTFE particles in a spin-coating process, obtaining a hydrophobic behavior. Then, the electrospraying of a modified PTFE dispersion forms a layer of distributed PTFE particles, in which a strong bonding of the particles with each other and with the PTFE particles fixed in the PAA + β-CD fiber matrix results in a remarkable improvement of the particles adhesion to the substrate by different heat treatments. The experimental results corroborate the important role of obtaining hierarchical micro/nano multilevel structures for the optimization of superhydrophobic surfaces, leading to water contact angles above 170°, very low contact angle of hysteresis (CAH = 2°) and roll-off angle (αroll−off < 5°). In addition, a superior corrosion resistance is obtained, generating a barrier to retain the electrolyte infiltration. This study may provide useful insights for a wide range of applications. Electrospinning ; Materials science ; Coating ; Spin coating ; Composite number ; Superhydrophobic coating ; Composite material ; Polymer Surface Modification and Superhydrophobicity ; Electrospun Nanofibers in Biomedical Applications ; Electrohydrodynamics and Fluid Dynamics
Authors: Helena D. Pickford | Vasyl Ripenko | Ryan E. McNamee | Serhii Holovchuk | Amber L. Thompson | Russell C. Smith | Pavel K. Mykhailiuk | Edward A. Anderson
Source: Angewandte Chemie (article, 2022-10-13)
Field: Chemistry — Organic Chemistry

Rapid and Scalable Halosulfonylation of Strain‐Release Reagents** Abstract Sulfonylated aromatics are commonplace motifs in drugs and agrochemicals. However, methods for the direct synthesis of sulfonylated non‐classical arene bioisosteres, which could improve the physicochemical properties of drug and agrochemical candidates, are limited. Here we report a solution to this challenge: a one‐pot halosulfonylation of [1.1.1]propellane, [3.1.1]propellane and bicyclo[1.1.0]butanes that proceeds under practical, scalable and mild conditions. The sulfonyl halides used in this chemistry feature aryl, heteroaryl and alkyl substituents, and are conveniently generated in situ from readily available sulfinate salts and halogen atom sources. This methodology enables the synthesis of an array of pharmaceutically and agrochemically relevant halogen/sulfonyl‐substituted bioisosteres and cyclobutanes, on up to multidecagram scale. Propellane ; Chemistry ; Halogen ; Benzazepines ; Combinatorial chemistry ; Alkyl ; Sulfonyl ; Bicyclic molecule ; Reagent ; Halide ; Organic chemistry Sulfur-Based Synthesis Techniques ; Chemical Synthesis and Reactions ; Radical Photochemical Reactions
Authors: Kosuke Takemura | Keiichi Imato | Yousuke Ooyama
Source: RSC Advances (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

Mechanofluorochromism of (D–π–)<sub>2</sub>A-type azine-based fluorescent dyes Bathochromic or hypsochromic shift-type mechanofluorochromism (b-MFC or h-MFC) was found for (D-π-)<sub>2</sub>A-type azine-based fluorescent dyes OUY-2, OUK-2, and OUJ-2 possessing intramolecular charge-transfer (ICT) characteristics from two (diphenylamino)carbazole-thiophene units as D (electron-donating group)-π (π-conjugated bridge) moieties to a pyridine, pyrazine, or triazine ring as A (electron-withdrawing group): grinding of the recrystallized dyes induced red or blue shifts of the fluorescent colors, that is, bathochromic or hypsochromic shifts of the fluorescence maximum wavelengths (λ<sup>fl-solid</sup> <sub>max</sub>). The degrees of MFC evaluated by the absolute value of differences (Δ<i>λ</i> <sup>fl-solid</sup> <sub>max</sub>) in λ<sup>fl-solid</sup> <sub>max</sub> before and after grinding of the recrystallized dyes increased in the order of OUY-2 (+7 nm) < OUK-2 (-17 nm) < OUJ-2 (+45 nm), so that OUJ-2 exhibits obvious b-MFC, but OUK-2 exhibits h-MFC. X-ray powder diffraction (XRD) and differential scanning calorimetry (DSC) demonstrated that the recrystallized dyes were in the crystalline state but the ground dyes were in the amorphous state. When the ground solids were heated above their crystallization temperatures (<i>T</i> <sub>c</sub>), the colors and fluorescent colors recovered to the original ones before grinding or converted to other ones, that is, heating the ground solids in the amorphous state induced the recrystallization to recover the original microcrystals or to form other microcrystals due to polymorph transformation. However, (D-π-)<sub>2</sub>Ph-type fluorescent dye OTK-2 having a phenyl group as a substitute for the azine rings exhibited non-obvious MFC. Molecular orbital (MO) calculations indicated that the values of the dipole moments (<i>μ</i> <sub>g</sub>) in the ground state were 4.0 debye, 1.4 debye, 3.2 debye, and 2.9 debye for OTK-2, OUY-2, OUK-2, and OUJ-2, respectively. Consequently, on the basis of experimental results and MO calculations, we have demonstrated that the MFC of the (D-π-)<sub>2</sub>A-type azine-based fluorescent dyes is attributed to reversible switching between the crystalline state of the recrystallized dyes and the amorphous state of the ground dyes with changes in the intermolecular dipole-dipole and π-π interactions before and after grinding. Moreover, this work reveals that (D-π-)<sub>2</sub>A fluorescent dyes possessing dipole moments of <i>ca.</i> 3 debye as well as moderate or intense ICT characteristics make it possible to activate the MFC. Azine ; Fluorescence ; Chemistry ; Type (biology) ; Nuclear chemistry ; Organic chemistry ; Physics ; Biology ; Optics ; Ecology Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Crystallography and molecular interactions
Authors: Elvin V. Salerno | Collin M. Foley | Vittoria Marzaroli | Bernadette L. Schneider | Max D. Sharin | Jeff W. Kampf | Luciano Marchiò | Mat­thias Zeller | Régis Guillot | Talal Mallah | Matteo Tegoni | Vincent L. Pecoraro | Curtis M. Zaleski
Source: European Journal of Inorganic Chemistry (article, 2022-09-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Unique Dimerization Topology and Countercation Binding Modes in 12‐Metallacrown‐4 Compounds Abstract Seven dimeric metallacrowns (MC) based on Ln[12‐MC M(III)N(shi) ‐4], where Ln III =Dy, Ho, Yb, or Y, M III =Mn or Ga, and shi 3− is salicylhydroximate, have been synthesized and characterized by single‐crystal X‐ray diffraction, and for the dysprosium‐manganese dimers, the magnetic properties have been measured. In each dimer two Ln[12‐MC M(III)N(shi) ‐4] units are linked by four bridging dicarboxylate anions (isophthalate, trimesate, dinicotinate, or 2,2′‐dithiodibenzoate). Three different countercations (sodium, gallium(III), or pyridinium) were used to maintain charge balance of the dimer. While pyridinium does not bind to the dimer, the choice of the dicarboxylate dictates where the countercations Na + or Ga III bind. With isophthalate and trimesate, the sodium ion binds to the central MC cavity opposite of the Ln III , and with dinicotinate the sodium or gallium(III) ions bind to the pyridyl nitrogen of the dinicotinate. All three Dy 2 Mn 8 dimers exhibit an out‐of‐phase magnetic susceptibility signal consistent with a shallow barrier to magnetization relaxation. Chemistry ; Dimer ; Crystallography ; Pyridinium ; Sodium ; Ion ; Dysprosium ; Manganese ; Stereochemistry ; Inorganic chemistry ; Medicinal chemistry Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Advanced NMR Techniques and Applications
Authors: Peter J. Hayes | Dominik Konkolewicz | Mehdi B. Zanjani
Source: Physical Review Materials (article, 2022-12-14)
Field: Materials Science — Polymers and Plastics

Tuning mechanical behavior of polymer materials via multi-arm crosslinked network architectures Crosslinked polymer materials provide tremendous opportunities for delivering unique material properties for a wide variety of applications such as shape-memory and self-healing materials, aerospace materials, and biomedical systems. Most crosslinked polymer networks investigated to date are designed based on covalent or noncovalent crosslinkers that include two-ended connections to the backbone polymer base. In this paper, we investigate the topic of multi-arm crosslinking of polymer materials using a computational platform. We take advantage of molecular dynamics simulations and graph theory to define computational models that describe potential architectures for multi-arm crosslinked polymer networks. We also discuss feasible experimental routes for implementation of these approaches. We investigate how the polymer network architecture affects the mechanical and self-healing behavior of the material. Our results show that the angular stiffness of multi-arm crosslinkers can be adjusted to control the mechanical strength of the overall polymer network. Additionally, using graph theory, we find that the complex connections that exist between the crosslinkers and the backbone polymer chains define the overall connectivity of the polymer network, which in turn dictates the mechanical behavior of the material. Furthermore, we find that increasing the number of crosslinking arms may improve the self-healing behavior, but it can reduce the overall mechanical strength of the polymer network. The findings of this paper can motivate future experimental and data-driven studies to realize more sophisticated crosslinked polymer materials with a large number of degrees of freedom to deliver a variety of tunable properties. Materials science ; Polymer ; Polymer network ; Stiffness ; Aerospace ; Covalent bond ; Polymer architecture ; Nanotechnology ; Computer science ; Composite material Polymer composites and self-healing ; Advanced Polymer Synthesis and Characterization ; Conducting polymers and applications
Authors: Rajasmita Malik | R. K. Parida | B. N. Parida | Nimai C. Nayak
Source: Journal of Materials Science Materials in Electronics (article, 2022-09-15)
Field: Materials Science — Materials Chemistry

EMI shielding behavior of 2D-layered Ti3C2Tx (MXene) incorporated EMA/EOC ternary blend nanocomposites in S-band Materials science ; EMI ; Electromagnetic shielding ; Composite material ; Electromagnetic interference ; Nanocomposite ; Computer science ; Telecommunications MXene and MAX Phase Materials ; Electromagnetic wave absorption materials ; Aluminum Alloys Composites Properties
Authors: Gopika G. Nair | Avinash R. Pai | Nandakumar Kalarikkal | Sabu Thomas | Preema C. Thomas
Source: Journal of Natural Fibers (article, 2022-07-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electromagnetic Attenuation Performance of Sustainable e-Textile Derived from Polypyrrole Impregnated Jute Fabrics with Predominant Microwave Absorption The proliferation of electromagnetic (EM) pollution is more rapid now and can be more outrageous in near future due to the exponential growth of the electronics industry. Strategy of using natural fibers for fabricating efficient EMI shielding materials is an environmentally benign solution for this serious peril. With this motivation, we are introducing novel e-textile derived from sustainable jute fabrics that are capable of suppressing and absorbing EM radiations in the frequency range 8.2–12.4 GHz (X-band). In the present work, jute fabrics were in-situ polymerized with pyrrole monomer. These conductive fabrics were then characterized and correlated for their structure, morphology, thermal stability, electrical conductivity, and EMI shielding capabilities. Moreover, this e-textile showcased excellent electrical conductivity of 1.160 S/cm and exhibited a maximum EMI shielding effectiveness value of −30.2 dB (>99.9% blockage) at 1 mm fabric thickness by a predominant absorption behavior with menial reflection or secondary pollution, which is highly beneficial for commercial applications. This is so far the first report of jute fabrics as e-textile with the highest shielding efficacy value reported, which makes them an ideal candidate for next generation of smart and wearable electronic textiles for futuristic applications such as robotics and artificial intelligence (AI). Materials science ; Electromagnetic shielding ; EMI ; Electromagnetic interference ; Textile ; Composite material ; Microwave ; Electronics ; Absorption (acoustics) ; Electrical conductor ; Reflection loss ; Polypyrrole ; Computer science ; Electrical engineering ; Composite number ; Polymerization ; Telecommunications ; Polymer ; Engineering Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies