jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zuolong Liu | Xianchi Zhou | Yongcheng Chen | Yanwen Ni | Zihao Zhu | Wenzhong Cao | Kexin Chen | Yan Yu | Jian Ji | Peng Zhang
Source: Biomaterials Science (article, 2023-11-29)
Field: Materials Science — Surfaces, Coatings and Films

Fibrous capsule-resistant, controllably degradable and functionalizable zwitterion-albumin hybrid hydrogels Foreign body response (FBR) represents an immune-mediated cascade reaction capable of inducing the rejection of foreign implants, thereby compromising their <i>in vivo</i> performance. Pure zwitterionic hydrogels have demonstrated the ability to resist long-term FBR, owing to their outstanding antifouling capabilities. However, achieving such a robust anti-FBR effect necessitates stringent requirements concerning the purity of zwitterionic materials, which constrains their broader functional applications. Herein, we present a biocompatible, controllably degradable, and functionalizable zwitterion-albumin hybrid hydrogel. The zwitterionic hydrogel crosslinked with serum albumin exhibits controllable degradation and excels in preventing the adsorption of various proteins and adhesion of cells and bacteria. Moreover, the hydrogel significantly alleviates the host's FBR compared with PEG hydrogels and particularly outperforms PEG-based cross-linker crosslinked zwitterionic hydrogels in reducing collagen encapsulation when subcutaneously implanted into mice. The zwitterion-albumin hybrid hydrogel shows potential as a functionalizable anti-FBR material in the context of implantable materials and biomedical devices. Zwitterion ; Self-healing hydrogels ; Capsule ; Chemistry ; Albumin ; Polymer chemistry ; Biochemistry ; Biology ; Organic chemistry ; Botany Polymer Surface Interaction Studies ; Hemostasis and retained surgical items ; Nanoparticle-Based Drug Delivery
Authors: Wenqing Zang | Duo Gao | Miaorong Yu | Manmei Long | Zhuan Zhang | Tianhai Ji
Source: ACS Nano (article, 2023-09-17)
Field: Materials Science — Biomaterials

Oral Delivery of Gemcitabine-Loaded Glycocholic Acid-Modified Micelles for Cancer Therapy The clinical utility of gemcitabine, an antimetabolite antineoplastic agent applied in various chemotherapy treatments, is limited due to the required intravenous injection. Although chemical structure modifications of gemcitabine result in enhanced oral bioavailability, these modifications compromise complex synthetic routes and cause unexpected side effects. In this study, gemcitabine-loaded glycocholic acid-modified micelles (Gem-PPG) were prepared for enhanced oral chemotherapy. The <i>in vitro</i> transport pathway experiments revealed that intact Gem-PPG were transported across the intestinal epithelial monolayer via an apical sodium-dependent bile acid transporter (ASBT)-mediated pathway. In mice, the pharmacokinetic analyses demonstrated that the oral bioavailability of Gem-PPG approached 81%, compared to less than 20% for unmodified micelles. In addition, the antitumor activity of oral Gem-PPG (30 mg/kg, BIW) was superior to that of free drug injection (60 mg/kg, BIW) in the xenograft model. Moreover, the assessments of hematology, blood chemistry, and histology all indicated the hypotoxicity profile of the drug-loaded micelles. Glycocholic acid ; Gemcitabine ; Micelle ; Materials science ; Cancer therapy ; Cancer ; Nanotechnology ; Medicine ; Chemistry ; Internal medicine ; Bile acid ; Organic chemistry Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Drug Transport and Resistance Mechanisms
Authors: Lyubov G. Bulusheva | G. I. Semushkina | А. Д. Федоренко
Source: Nanomaterials (review, 2023-07-26)
Field: Materials Science — Materials Chemistry

Heteroatom-Doped Molybdenum Disulfide Nanomaterials for Gas Sensors, Alkali Metal-Ion Batteries and Supercapacitors Molybdenum disulfide (MoS<sub>2</sub>) is the second two-dimensional material after graphene that received a lot of attention from the research community. Strong S-Mo-S bonds make the sandwich-like layer mechanically and chemically stable, while the abundance of precursors and several developed synthesis methods allow obtaining various MoS<sub>2</sub> architectures, including those in combinations with a carbon component. Doping of MoS<sub>2</sub> with heteroatom substituents can occur by replacing Mo and S with other cations and anions. This creates active sites on the basal plane, which is important for the adsorption of reactive species. Adsorption is a key step in the gas detection and electrochemical energy storage processes discussed in this review. The literature data were analyzed in the light of the influence of a substitutional heteroatom on the interaction of MoS<sub>2</sub> with gas molecules and electrolyte ions. Theory predicts that the binding energy of molecules to a MoS<sub>2</sub> surface increases in the presence of heteroatoms, and experiments showed that such surfaces are more sensitive to certain gases. The best electrochemical performance of MoS<sub>2</sub>-based nanomaterials is usually achieved by including foreign metals. Heteroatoms improve the electrical conductivity of MoS<sub>2</sub>, which is a semiconductor in a thermodynamically stable hexagonal form, increase the distance between layers, and cause lattice deformation and electronic density redistribution. An analysis of literature data showed that co-doping with various elements is most attractive for improving the performance of MoS<sub>2</sub> in sensor and electrochemical applications. This is the first comprehensive review on the influence of foreign elements inserted into MoS<sub>2</sub> lattice on the performance of a nanomaterial in chemiresistive gas sensors, lithium-, sodium-, and potassium-ion batteries, and supercapacitors. The collected data can serve as a guide to determine which elements and combinations of elements can be used to obtain a MoS<sub>2</sub>-based nanomaterial with the properties required for a particular application. Heteroatom ; Molybdenum disulfide ; Electrochemistry ; Materials science ; Supercapacitor ; Graphene ; Nanomaterials ; Doping ; Molecule ; Electrolyte ; Density functional theory ; Nanotechnology ; Inorganic chemistry ; Adsorption ; Molybdenum ; Chemical engineering ; Chemistry ; Electrode ; Organic chemistry ; Computational chemistry ; Physical chemistry ; Optoelectronics ; Composite material 2D Materials and Applications ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: Daniel Rozsar | Alistair J. M. Farley | Iain McLauchlan | Benjamin D. A. Shennan | Ken Yamazaki | Darren J. Dixon
Source: Angewandte Chemie International Edition (article, 2023-03-16)
Field: Chemistry — Organic Chemistry

Bifunctional Iminophosphorane‐Catalyzed Enantioselective Nitroalkane Addition to Unactivated α,β‐Unsaturated Esters** Herein we describe the enantioselective intermolecular conjugate addition of nitroalkanes to unactivated α,β-unsaturated esters, catalyzed by a bifunctional iminophosphorane (BIMP) superbase. The transformation provides the most direct access to pharmaceutically relevant enantioenriched γ-nitroesters, utilizing feedstock chemicals, with unprecedented selectivity. The methodology exhibits a broad substrate scope, including β-(fluoro)alkyl, aryl and heteroaryl substituted electrophiles, and was successfully applied on a gram scale with reduced catalyst loading, and, additionally, catalyst recovery was carried out. The formal synthesis of a range of drug molecules, and an enantioselective synthesis of (S)-rolipram were achieved. Additionally, computational studies revealed key reaction intermediates and transition state structures, and provided rationale for high enantioselectivities, in good agreement with experimental results. Enantioselective synthesis ; Bifunctional ; Chemistry ; Electrophile ; Combinatorial chemistry ; Aryl ; Catalysis ; Organocatalysis ; Alkyl ; Substrate (aquarium) ; Organic chemistry Asymmetric Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis ; Synthesis and Catalytic Reactions
Authors: Niki Mavragani | Alexandros A. Kitos | J Hruby | Stephen Hill | Akseli Mansikkamäki | Jani O. Moilanen | Muralee Murugesu
Source: Inorganic Chemistry Frontiers (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Strong magnetic exchange coupling in Ln<sub>2</sub> metallocenes attained by the <i>trans</i>-coordination of a tetrazinyl radical ligand One of the strongest Ln-rad magnetic coupling was attained in a family of dinuclear Ln metallocenes via the trans coordination mode of a tetrazinyl-based radical bridge, with the Tb( iii ) and Dy( iii ) analogues exhibiting SMM behaviour. Ligand (biochemistry) ; Bridge (graph theory) ; Coupling (piping) ; Inductive coupling ; Crystallography ; Chemistry ; Stereochemistry ; Materials science ; Physics ; Metallurgy Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Advanced NMR Techniques and Applications
Authors: Sanket Samal | Heejung Roh | Camille E. Cunin | Geon Gug Yang | Aristide Gumyusenge
Source: Small (article, 2023-02-03)
Field: Materials Science — Polymers and Plastics

Molecularly Hybridized Conduction in DPP‐Based Donor–Acceptor Copolymers toward High‐Performance Iono‐Electronics Iono-electronics, that is, transducing devices able to translate ionic injection into electrical output, continue to demand a variety of mixed ionic-electronic conductors (MIECs). Though polar sidechains are widely used in designing novel polymer MIECs, it remains unclear to chemists how much balance is needed between the two antagonistic modes of transport (ion permeability and electronic charge transport) to yield high-performance materials. Here, the impact of molecularly hybridizing ion permeability and charge mobility in semiconducting polymers on their performance in electrochemical and synaptic transistors is investigated. A series of diketopyrrolopyrrole (DPP)-based copolymers are employed to demonstrate the multifunctionality attained by controlling the density of polar sidechains along the backbone. Notably, efficient electrochemical signal transduction and reliable synaptic plasticity are demonstrated via controlled ion insertion and retention. The newly designed DPP-based copolymers further demonstrate unprecedented thermal tolerance among organic mixed ionic-electronic conductors, a key property in the manufacturing of organic electronics. Copolymer ; Acceptor ; Materials science ; Thermal conduction ; Nanotechnology ; Polymer ; Physics ; Condensed matter physics ; Composite material Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Organic Electronics and Photovoltaics
Authors: Ruimei Yuan | Xuemin Yin | Bei Xue | Jingjing Chang | Wei Wei | Hejun Li
Source: Battery energy (article, 2023-03-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Graphene nanotube array assists all‐wood supercapacitors to access high energy density and stability Abstract Porous carbons with advanced nanostructures and volumetric performance are particularly attractive and essential for miniature supercapacitors to access high energy densities and capacitances, both for portable electronics and massive electrical equipments. However, the electrochemical performances and the pore structure are closely bound up, both restricted by pore volume and pore density. Herein, the wood slice (~0.7 mm) with the periodic porous structure is chosen as the basic framework with rich macropores and the graphene nanotube array (GNTA) with mesopores is used as an intermediate structure in situ synthesized to form the substructure in macropores; therefore, the biomass and nanotube array together construct a porous carbon with hierarchical pores and large surface area. On this basis, Cu‐Co oxides are coated on the surface of the pores, to increase the capacitance of electrodes for supercapacitor applications. Because of the GNTA, the specific surface area increases from 38.2 to 1086.0 m 2 g −1 , which is quite helpful for the deposition of Cu‐Co oxide nanosheets and effectively alleviates their typical self‐stacking phenomenon. Meanwhile, the GNTA creates multiscale pores that served as channels for the rapid electron transfer and ion shuttling; as a result, the resistance obviously induces and capacitance increased by 131% (from 323.4 to 747.5 mF cm −2 ). For the assembled all‐wood asymmetric supercapacitor, the specific capacitance is 151.2 F g −1 (1 A g −1 ), the energy density is 53.8 Wh kg −1 with a power density of 900 W kg −1 , and the specific capacitance remains extremely stable during the cycling. Our work provides a practical structure–design strategy for high‐performance supercapacitors. Supercapacitor ; Materials science ; Capacitance ; Mesoporous material ; Graphene ; Nanotechnology ; Specific surface area ; Carbon nanotube ; Porosity ; Macropore ; Power density ; Nanotube ; Chemical engineering ; Oxide ; Stacking ; Electrode ; Composite material ; Chemistry ; Organic chemistry Supercapacitor Materials and Fabrication ; Electrocatalysts for Energy Conversion ; Conducting polymers and applications
Authors: Xiaoli Liu | Nency P. Domingues | Emad Oveisi | Clara Coll-Satue | Michelle Maria Theresia Jansman | Berend Smit | Leticia Hosta‐Rigau
Source: Biomaterials Science (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Metal–organic framework-based oxygen carriers with antioxidant activity resulting from the incorporation of gold nanozymes Blood transfusions are a life-saving procedure since they can preserve the body's oxygen levels in patients suffering from acute trauma, undergoing surgery, receiving chemotherapy or affected by severe blood disorders. Due to the central role of hemoglobin (Hb) in oxygen transport, so-called Hb-based oxygen carriers (HBOCs) are currently being developed for situations where donor blood is not available. In this context, an important challenge that needs to be addressed is the oxidation of Hb into methemoglobin (metHb), which is unable to bind and release oxygen. While several research groups have considered the incorporation of antioxidant enzymes to create HBOCs with minimal metHb conversion, the use of biological enzymes has important limitations related to their high cost, potential immunogenicity or low stability <i>in vivo</i>. Thus, nanomaterials with enzyme-like properties (<i>i.e.</i>, nanozymes (NZs)) have emerged as a promising alternative. Amongst the different NZs, gold (Au)-based metallic nanoparticles are widely used for biomedical applications due to their biocompatibility and multi-enzyme mimicking abilities. Thus, in this work, we incorporate Au-based NZs into a type of HBOC previously reported by our group (<i>i.e.</i>, Hb-loaded metal-organic framework (MOF)-based nanocarriers (NCs)) and investigate their antioxidant properties. Specifically, we prepare MOF-NCs loaded with Au-based NZs and demonstrate their ability to catalytically deplete over multiple rounds of two prominent reactive oxygen species (ROS) that exacerbate Hb's autoxidation (<i>i.e.</i>, hydrogen peroxide and the superoxide radical). Importantly, following loading with Hb, we show how these ROS-scavenging properties translate into a decrease in metHb content. All in all, these results highlight the potential of NZs to create novel HBOCs with antioxidant protection which may find applications as a blood substitute in the future. Methemoglobin ; Chemistry ; Antioxidant ; Autoxidation ; Reactive oxygen species ; Hydrogen peroxide ; Context (archaeology) ; Hemoglobin ; Biocompatibility ; Oxygen ; Superoxide dismutase ; Nanocarriers ; Combinatorial chemistry ; Biochemistry ; Organic chemistry ; Drug delivery Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanoparticle-Based Drug Delivery
Authors: Sullivan Bailey-Darland | Taylor D. Krueger | Chong Fang
Source: Molecules (article, 2023-01-06)
Field: Chemistry — Physical and Theoretical Chemistry

Ultrafast Spectroscopies of Nitrophenols and Nitrophenolates in Solution: From Electronic Dynamics and Vibrational Structures to Photochemical and Environmental Implications Nitrophenols are a group of small organic molecules with significant environmental implications from the atmosphere to waterways. In this work, we investigate a series of nitrophenols and nitrophenolates, with the contrasting <i>ortho</i>-, <i>meta</i>-, and <i>para</i>-substituted nitro group to the phenolic hydroxy or phenolate oxygen site (2/3/4NP or NP<sup>-</sup>), implementing a suite of steady-state and time-resolved spectroscopic techniques that include UV/Visible spectroscopy, femtosecond transient absorption (fs-TA) spectroscopy with probe-dependent and global analysis, and femtosecond stimulated Raman spectroscopy (FSRS), aided by quantum calculations. The excitation-dependent (400 and 267 nm) electronic dynamics in water and methanol, for six protonated or deprotonated nitrophenol molecules (three regioisomers in each set), enable a systematic investigation of the excited-state dynamics of these functional "nanomachines" that can undergo nitro-group twisting (as a rotor), excited-state intramolecular or intermolecular proton transfer (donor-acceptor, ESIPT, or ESPT), solvation, and cooling (chromophore) events on molecular timescales. In particular, the <i>meta</i>-substituted compound 3NP or 3NP<sup>-</sup> exhibits the strongest charge-transfer character with FSRS signatures (e.g., C-N peak frequency), and thus, does not favor nitroaromatic twist in the excited state, while the <i>ortho</i>-substituted compound 2NP can undergo ESIPT in water and likely generate nitrous acid (HONO) after 267 nm excitation. The delineated mechanistic insights into the nitro-substituent-location-, protonation-, solvent-, and excitation-wavelength-dependent effects on nitrophenols, in conjunction with the ultraviolet-light-induced degradation of 2NP in water, substantiates an appealing discovery loop to characterize and engineer functional molecules for environmental applications. Photochemistry ; Ultrashort pulse ; Chemistry ; Dynamics (music) ; Chemical physics ; Environmental chemistry ; Computational chemistry ; Physics ; Optics ; Laser Photochemistry and Electron Transfer Studies ; Spectroscopy and Quantum Chemical Studies ; Photoreceptor and optogenetics research
Authors: Petru Lunca‐Popa | Jean‐Baptiste Chemin | Noureddine Adjeroud | Veronika Kovacova | Sebastjan Glinšek | Nathalie Valle | M. Hachemi | Stéphanie Girod | Olivier Bouton | Jérôme Polesel‐Maris
Source: ACS Omega (article, 2023-01-30)
Field: Materials Science — Materials Chemistry

Study of Gallium-Doped Zinc Oxide Thin Films Processed by Atomic Layer Deposition and RF Magnetron Sputtering for Transparent Antenna Applications Gallium-doped zinc oxide (GZO) films were fabricated using RF magnetron sputtering and atomic layer deposition (ALD). The latter ones demonstrate higher electrical conductivities (up to 2700 S cm<sup>-1</sup>) and enhanced charge mobilities (18 cm<sup>2</sup> V<sup>-1</sup> s<sup>-1</sup>). The morphological analysis reveals differences mostly due to the very different nature of the deposition processes. The film deposited via ALD shows an increased transmittance in the visible range and a very small one in the infrared range that leads to a figure of merit of 0.009 Ω<sup>-1</sup> (10 times higher than for the films deposited via sputtering). A benchmarking is made with an RF sputtered indium-doped tin oxide (ITO) film used conventionally in the industry. Another comparison between ZnO, Al:ZnO (AZO), and Ga:ZnO (GZO) films fabricated by ALD is presented, and the evolution of physical properties with doping is evidenced. Finally, we processed GZO thin films on a glass substrate into patterned transparent patch antennas to demonstrate an application case of short-range communication by means of the Bluetooth Low Energy (BLE) protocol. The GZO transparent antennas' performances are compared to a reference ITO antenna on a glass substrate and a conventional copper antenna on FR4 PCB. The results highlight the possibility to use the transparent GZO antenna for reliable short-range communication and the achievability of an antenna entirely processed by ALD. Materials science ; Sputter deposition ; Optoelectronics ; Atomic layer deposition ; Substrate (aquarium) ; Thin film ; Doping ; Gallium ; Sputtering ; Physical vapor deposition ; Transmittance ; Nanotechnology ; Metallurgy ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Ga2O3 and related materials
Authors: Baptiste Neil | Lamine Saadi | Louis Fensterbank | Clément Chauvier
Source: Angewandte Chemie International Edition (article, 2023-06-07)
Field: Chemistry — Organic Chemistry

Organopotassium‐Catalyzed Silylation of Benzylic C(<i>sp</i><sup>3</sup>)−H Bonds Benzylsilanes have found increasing applications in organic synthesis as bench-stable synthetic intermediates, yet are mostly produced by stoichiometric procedures. Catalytic alternatives based on the atom-economical silylation of benzylic C(sp<sup>3</sup> )-H bonds remain scarcely available as specialized directing groups and catalytic systems are needed to outcompete the kinetically-favored silylation of C(sp<sup>2</sup> )-H bonds. Herein, we describe the first general and catalytic-in-metal undirected silylation of benzylic C(sp<sup>3</sup> )-H bonds under ambient, transition metal-free conditions using stable tert-butyl-substituted silyldiazenes (tBu-N=N-SiR<sub>3</sub> ) as silicon source. The high activity and selectivity of the catalytic system, exemplified by the preparation of various mono- or gem-bis benzyl(di)silanes, originates from the facile generation of organopotassium reagents, including tert-butylpotassium. Silylation ; Silanes ; Catalysis ; Chemistry ; Reagent ; Transition metal ; Silicon ; Selectivity ; Combinatorial chemistry ; Organic chemistry ; Medicinal chemistry Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions ; Cyclopropane Reaction Mechanisms
Authors: Yinan Tang | Lu Lu | Xiaoxian Zang | Buhuan Wang | Xiangrong Ye
Source: ChemSusChem (article, 2023-05-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tailored Properties of Carbon for Supercapacitors by Blending Lignin and Cellulose to Mimic Biomass as Carbonaceous Precursor KOH-activated carbon materials prepared from biomass-derived carbon source, cellulose and lignin, were compared. Mixtures of different ratios of cellulose and lignin were used to partially mimic biomass as carbon source. This allows tailoring and optimizing of the KOH activated carbon materials by getting rid of the restriction of the intrinsic proportion of cellulose and lignin in specific biomass. The results indicate that cellulose use results in a more porous structure, whereas lignin use leads to more partially activated graphite structure. The activated carbon material (CL1) prepared from blend of cellulose with lignin in mass ratio of 1 : 1 exhibits a high specific surface area of 2000.39 m<sup>2</sup> g<sup>-1</sup> , and in TEABF<sub>4</sub> /ACN (tetraethylammonium tetrafluoroborate dissolved in acetonitrile) electrolyte it showed a maximum specific capacitance of 136.10 F g<sup>-1</sup> , a maximum energy density of 18.11 Wh kg<sup>-1</sup> , and a capacitance retention of 85.04 % under current density as high as 15 A g<sup>-1</sup> . Lignin ; Cellulose ; Supercapacitor ; Biomass (ecology) ; Carbon fibers ; Chemical engineering ; Materials science ; Organic chemistry ; Chemistry ; Composite material ; Electrochemistry ; Composite number ; Electrode Supercapacitor Materials and Fabrication ; Catalysis for Biomass Conversion ; Nanomaterials for catalytic reactions