jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yuhang Zhang | Ting Lin | Yifei Gao | Chao Xu | Hui Li | Pengcheng Li | Xiang Gao | Zhitian Liu
Source: Journal of Polymer Science (article, 2024-05-09)
Field: Materials Science — Materials Chemistry

Enhancement of thermoelectric performance of thienoisoindigo based <scp>D‐A</scp> conjugated polymers through the incorporation of 3,4‐ethylenedioxythiophene as donor unit Abstract With the good planarity of conjugated backbone and high charge carrier mobilities, thienoisoindigo (TIIG)‐based polymers show great potential in organic electronic devices. In this work, two TIIG‐based D‐A conjugated polymers (PTIIG‐3T and PTIIG‐2T‐EDOT) were designed and synthesized, which exhibit high lying highest occupied molecular orbital (HOMO) energy level and can be facilely doped by FeCl 3 . Compared with PTIIG‐3T, one thiophene unit in the donor building block is replaced by 3,4‐ethylenedioxythiophene (EDOT) in PTIIG‐2T‐EDOT, and PTIIG‐2T‐EDOT shows a higher HOMO level with slightly higher coplanarity than PTIIG‐3T, which induce an enhancement in electrical conductivity after oxidation doping. After proper doping, doped PTIIG‐2T‐EDOT film achieved a higher TE power factor of 17.9 μW m −1 K −2 than that of PTIIG‐3T due to its higher conductivity. The results indicate that TIIG unit is a promising building block for future high‐performance conjugated polymers for thermoelectric applications, and incorporation of the EDOT unit into D‐A conjugated polymers could be an effective way to develop high performance thermoelectric polymers. Conjugated system ; Poly(3,4-ethylenedioxythiophene) ; Thermoelectric effect ; Polymer ; Unit (ring theory) ; Materials science ; Polymer chemistry ; Chemical engineering ; Conductive polymer ; Chemistry ; Engineering ; Physics ; Composite material ; Mathematics Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Thermal properties of materials
Authors: Miriam Sander | Sandesh Darlami Magar | Martin Etter | Andrea Balducci | Lars Borchardt
Source: ChemSusChem (article, 2024-01-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The “<i>In situ</i> electrolyte” as a sustainable alternative for the realization of high‐power devices The "in situ electrolyte" displays a concept for electric double-layer- as well as metal-ion capacitors in which the by-products formed during carbon synthesis serve directly as electrolyte salt to minimize waste. In this work, the concept is applied for lithium- and sodium-based systems realizing EDLCs containing aqueous, "Water in Salt" (up to 1.8 V) as well as organic (2.4 V) electrolytes. Via the mechanochemical synthesis, carbon materials with surface areas up to 2000 m<sup>2</sup> g<sup>-1</sup> and an optimal amount of remaining by-product are designed from the renewable resource lignin. Different cation-anion combinations are enabled by further modification directly inside the pores creating imide-based salts which are tracked by synchrotron in situ XRD. By the addition of solvents, the EDLCs show good capacitances up to 21 F g<sup>-1</sup> combined with excellent rate performances and stabilities. Moreover, the LiTFSI loaded carbon as positive electrode introduces a new tunable lithium alternative for the pre-lithiation of Li-ion capacitors displaying a good rate performance and cyclability. Electrolyte ; Supercapacitor ; Lithium (medication) ; Electrochemistry ; Materials science ; Chemical engineering ; Carbon fibers ; Capacitor ; Aqueous solution ; Inorganic chemistry ; Salt (chemistry) ; Electrode ; Chemistry ; Organic chemistry ; Composite number ; Composite material Supercapacitor Materials and Fabrication ; Advanced Battery Materials and Technologies ; Advancements in Battery Materials
Authors: E. Piskorska-Hommel | Katarzyna Gas
Source: Journal of Applied Physics (article, 2024-02-20)
Field: Materials Science — Materials Chemistry

(Ga,Mn)N—Epitaxial growth, structural, and magnetic characterization—Tutorial The spin control possibility and its application in optoelectronic devices began an intensive research into its utilization, in particular, in the wide-gap semiconductors such as GaN doped with transition metal ions. Due to a strong p–d hybridization in Ga1−xMnxN, the Curie temperature above 300 K was already expected for x = 5%, providing that the free hole concentration necessary for the hole-mediated ferromagnetism exceeds 1020 cm−3. In this context, the development of non-equilibrium techniques enabled the engineering high-quality epitaxial layers of (Ga,Mn)N exhibiting uniform ferromagnetism at low-end cryogenic temperatures. The Tutorial is focused on the molecular beam epitaxy growth method of the Mn-enriched GaN magnetic semiconductors, summarizes the (Ga,Mn)N structural and electronic studies, and explains fundamental ferromagnetic properties, including the determination of the Mn concentration and the Curie temperature based on magnetic measurements. Most studies reveal the homogenous substitution of Mn3+ ions in the GaN matrix. Nevertheless, achieving room-temperature ferromagnetism still remains a challenge. Therefore, in the Tutorial, future research is suggested that can help obtain the homogenous ferromagnetism in (Ga,Mn)N at much elevated temperatures. Ferromagnetism ; Curie temperature ; Magnetic semiconductor ; Molecular beam epitaxy ; Condensed matter physics ; Materials science ; Context (archaeology) ; Epitaxy ; Semiconductor ; Doping ; Optoelectronics ; Nanotechnology ; Physics ; Geology ZnO doping and properties ; Ga2O3 and related materials ; GaN-based semiconductor devices and materials
Authors: Lidia Zaharieva | Daniela Antonová | Liudmil Antonov
Source: Chemistry (article, 2024-12-06)
Field: Chemistry — Organic Chemistry

8-(Pyridin-2-yl)quinolin-7-ol and Beyond: Theoretical Design of Tautomeric Molecular Switches with Pyridine as a Proton Crane Unit Long-range proton transfer in several conjugated proton cranes, originating from 7-hydroxy quinoline as a proton transfer platform, has been investigated theoretically by means of DFT and TD-DFT methodology. Major emphasis was given to their applicability to provide clean switching upon irradiation. The border conditions require the existence of a single enol tautomer in the ground state, which under excitation through a series of consecutive exited and ground state intramolecular proton transfer steps is transferred to the keto tautomer. It was shown that the most suitable candidates are based on using iso-quinoline, pyrimidine and 4-nitropyridine as proton crane units. Their suitability is a function of aromaticity changes, the basicity of the nitrogen atom from the proton crane unit and the structural effects originating from their conjugation with 7-hydroxy quinoline. Tautomer ; Quinoline ; Proton ; Chemistry ; Pyridine ; Enol ; Ground state ; Intramolecular force ; Computational chemistry ; Photochemistry ; Stereochemistry ; Atomic physics ; Medicinal chemistry ; Organic chemistry ; Catalysis ; Physics Synthesis and Properties of Aromatic Compounds ; Chemical Reaction Mechanisms ; Photochemistry and Electron Transfer Studies
Authors: Joëlle Bizeau | J Journaux-Duclos | Céline Kiefer | Barbara Freis | Dris Ihiawakrim | María de los Ángeles Ramírez | Théo Lucante | Ksenia Parkhomenko | C. Vichery | J. Carrey | Olivier Sandre | Caroline Bertagnolli | Ovidiu Ersen | Sylvie Bégin‐Colin | Véronique Gigoux | Damien Mertz
Source: Nanoscale (article, 2024-01-01)
Field: Materials Science — Biomaterials

Tailoring the pore structure of iron oxide core@stellate mesoporous silica shell nanocomposites: effects on MRI and magnetic hyperthermia properties and applicability to anti-cancer therapies Core-shell nanocomposites made of iron oxide core (IO NPs) coated with mesoporous silica (MS) shells are promising theranostic agents. While the core is being used as an efficient heating nanoagent under alternating magnetic field (AMF) and near infra-red (NIR) light and as a suitable contrast agent for magnetic resonance imaging (MRI), the MS shell is particularly relevant to ensure colloidal stability in a biological buffer and to transport a variety of therapeutics. However, a major challenge with such inorganic nanostructures is the design of adjustable silica structures, especially with tunable large pores which would be useful, for instance, for the delivery of large therapeutic biomolecule loading and further sustained release. Furthermore, the effect of tailoring a porous silica structure on the magneto- or photothermal dissipation still remains poorly investigated. In this work, we undertake an in-depth investigation of the growth of stellate mesoporous silica (STMS) shells around IO NPs cores and of their micro/mesoporous features respectively through time-lapse and <i>in situ</i> liquid phase transmission electron microscopy (LPTEM) and detailed nitrogen isotherm adsorption studies. We found here that the STMS shell features (thickness, pore size, surface area) can be finely tuned by simply controlling the sol-gel reaction time, affording a novel range of IO@STMS core@shell NPs. Finally, regarding the responses under alternating magnetic fields and NIR light which are evaluated as a function of the silica structure, IO@STMS NPs having a tunable silica shell structure are shown to be efficient as <i>T</i><sub>2</sub>-weighted MRI agents and as heating agents for magneto- and photoinduced hyperthermia. Furthermore, such IO@STMS are found to display anti-cancer effects in pancreatic cancer cells under magnetic fields (both alternating and rotating). Mesoporous silica ; Materials science ; Nanocomposite ; Mesoporous material ; Iron oxide ; Hyperthermia ; Magnetite ; Shell (structure) ; Magnetic hyperthermia ; Nanotechnology ; Core (optical fiber) ; Magnetic nanoparticles ; Chemical engineering ; Nuclear magnetic resonance ; Nanoparticle ; Chemistry ; Composite material ; Medicine ; Metallurgy ; Internal medicine Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Iron oxide chemistry and applications
Authors: Luca Scaccini | Antonella Battisti | Domenica Convertino | Dario Puppi | Mariacristina Gagliardi | Marco Cecchini | Ilaria Tonazzini
Source: Biomedical Materials (article, 2024-08-29)
Field: Materials Science — Biomaterials

Glycerol-blended chitosan membranes with directional micro-grooves and reduced stiffness improve Schwann cell wound healing Regenerative medicine is continuously looking for new natural, biocompatible and possibly biodegradable materials, but also mechanically compliant. Chitosan is emerging as a promising FDA-approved biopolymer for tissue engineering, however, its exploitation in regenerative devices is limited by its brittleness and can be further improved, for example by blending it with other materials or by tuning its superficial microstructure. Here, we developed membranes made of chitosan (Chi) and glycerol, by solvent casting, and micro-patterned them with directional geometries having different levels of axial symmetry. These membranes were characterized by light microscopies, atomic force microscopy (AFM), by thermal, mechanical and degradation assays, and also tested<i>in vitro</i>as scaffolds with Schwann cells (SCs). The glycerol-blended Chi membranes are optimized in terms of mechanical properties, and present a physiological-grade Young's modulus (≈0.7 MPa). The directional topographies are effective in directing cell polarization and migration and in particular are highly performant substrates for collective cell migration. Here, we demonstrate that a combination of a soft compliant biomaterial and a topographical micropatterning can improve the integration of these scaffolds with SCs, a fundamental step in the peripheral nerve regeneration process. Chitosan ; Materials science ; Membrane ; Glycerol ; Wound healing ; Stiffness ; Biomedical engineering ; Self-healing ; Composite material ; Wound dressing ; Chemical engineering ; Surgery ; Chemistry ; Medicine ; Pathology ; Engineering Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments ; Nerve injury and regeneration
Authors: Emma J. Jordan | Ethan Calder | Holly V. Adcock | Louise Male | Martin Nieger | J. Chris Slootweg | Andrew R. Jupp
Source: Chemistry - A European Journal (article, 2024-04-16)
Field: Chemistry — Inorganic Chemistry

Azophosphines: Synthesis, Structure and Coordination Chemistry The conceptual replacement of nitrogen with phosphorus in common organic functional groups unlocks new properties and reactivity. The phosphorus-containing analogues of triazenes are underexplored but offer great potential as flexible and small bite-angle ligands. This manuscript explores the synthesis and characterisation of a family of air-stable azophosphine-borane complexes, and their subsequent deprotection to the free azophosphines. These compounds are structurally characterised, both experimentally and computationally, and highlight the availability of the phosphorus lone pair for coordination. This is confirmed by demonstrating that neutral azophosphines can act as ligands in Ru complexes, and can coordinate as monodentate or bidentate ligands in a controlled manner, in contrast to their nitrogen analogues. Denticity ; Reactivity (psychology) ; Lone pair ; Chemistry ; Coordination complex ; Phosphorus ; Nitrogen ; Borane ; Combinatorial chemistry ; Stereochemistry ; Crystallography ; Organic chemistry ; Crystal structure ; Molecule ; Catalysis Asymmetric Hydrogenation and Catalysis ; Organometallic Complex Synthesis and Catalysis ; Synthesis and characterization of novel inorganic/organometallic compounds
Authors: Yang Yang | Shan Guo | Qian Zhang | Zong‐Jie Guan | Quan‐Ming Wang
Source: Angewandte Chemie (article, 2024-05-07)
Field: Materials Science — Materials Chemistry

A Cages‐on‐Cluster Structure Constructed by Post‐Clustering Covalent Modifications and Guest‐Enabled Stimuli‐Responsive Luminescence Abstract A gold(I)‐cluster‐based twin‐cage has been constructed by post‐clustering covalent modification of a hexa‐aldehyde cluster precursor with triaminotriethylamines. The cages‐on‐cluster structure has double cavities and four binding sites, which show site‐discriminative binding for silver(I) and copper(I) guests. The guests in the tripodal hats affect the luminescence of the cluster: the tetra‐silver(I) host–guest complex is weakly red‐emissive, while the bis‐copper(I)‐bis‐silver(I) one is non‐emissive but is a stimuli‐responsive supramolecule. The copper(I) ion inside the tri‐imine cavity is oxidation sensitive, which enables the release of the bright emissive precursor cluster triggered by H 2 O 2 solution. The hybridization of a cluster with cavities to construct a cluster‐based cage presents an innovative concept for functional cluster design, and the post‐clustering covalent modification opens up new avenues for finely tuning the properties of clusters. Cluster (spacecraft) ; Covalent bond ; Luminescence ; Chemistry ; Cluster analysis ; Nanotechnology ; Materials science ; Computer science ; Optoelectronics ; Organic chemistry Luminescence and Fluorescent Materials ; Nanocluster Synthesis and Applications ; Molecular Sensors and Ion Detection
Authors: Watsapon Yimkaew | Johannes Allwang | Christine M. Papadakis | Rakchart Traiphol | Nisanart Traiphol
Source: Journal of King Saud University - Science (article, 2024-11-27)
Field: Chemistry — Organic Chemistry

Colorimetric detection of anionic surfactant using polydiacetylene/zinc (II)/zinc oxide nanocomposites with unique yellow-to-red color transition Polydiacetylenes (PDAs) have extensively received attention as colorimetric sensors because of their stimulusresponsive properties.This contribution presents a simple technique to modify polydiacetylene/zinc (II) ion/ zinc oxide (PDA/Zn 2+ /ZnO) nanocomposites for colorimetric detection of an anionic surfactant.Incorporation of cetyltrimethylammonium bromide (CTAB) into the nanocomposite structure is achieved through a simple mixing process in an aqueous medium.Interestingly, the resultant PDA/Zn 2+ /ZnO-CTAB sensors exhibit a unique yellow-to-red color change in response to the anionic surfactant, sodium dodecyl sulfate (SDS).Furthermore, the colorimetric detection of SDS at different concentrations can be achieved by varying the added CTAB concentrations.The detectable concentration range of SDS in this study extends from 0.3 to 7 mM.Our study offers a simple and low-cost method to fabricate colorimetric sensors for anionic surfactant detection using PDA materials. Zinc ; Pulmonary surfactant ; Nanocomposite ; Red Color ; Materials science ; Inorganic chemistry ; Chemistry ; Nuclear chemistry ; Nanotechnology ; Optics ; Metallurgy ; Physics ; Biochemistry Polydiacetylene-based materials and applications ; Antimicrobial Peptides and Activities ; Ocular Surface and Contact Lens
Authors: Ruixian Han | Alexander L. Paterson | Moses H. Milchberg | Yuanchi Pang | Boden Vanderloop | Chad M. Rienstra
Source: Journal of Magnetic Resonance (article, 2024-08-05)
Field: Chemistry — Spectroscopy

Tetrakis(trimethylsilyl)silane as a standard compound for fast spinning Solid-State NMR experiments Silane ; Trimethylsilyl ; Solid-state ; Solid-state nuclear magnetic resonance ; Spinning ; Materials science ; Chemistry ; Computational chemistry ; Physical chemistry ; Organic chemistry ; Polymer chemistry ; Nuclear magnetic resonance ; Physics Advanced NMR Techniques and Applications ; Solid-state spectroscopy and crystallography ; Zeolite Catalysis and Synthesis
Authors: Abiola Basirat Bakare | Hemanth Ponnambalath Mohanadas | Nick Tucker | Waqar Ahmed | A. Manikandan | Ahmad Athif Mohd Faudzi | Shahrol Mohamaddan | Saravana Kumar Jaganathan
Source: APL Bioengineering (review, 2024-10-17)
Field: Materials Science — Biomaterials

Advancements in textile techniques for cardiovascular tissue replacement and repair In cardiovascular therapeutics, procedures such as heart transplants and coronary artery bypass graft are pivotal. However, an acute shortage of organ donors increases waiting times of patients, which is reflected in negative effects on the outcome for the patient. Post-procedural complications such as thrombotic events and atherosclerotic developments may also have grave clinical implications. To address these challenges, tissue engineering is emerging as a solution, using textile technologies to synthesize biomimetic scaffolds resembling natural tissues. This comprehensive analysis explains methodologies including electrospinning, electrostatic flocking, and advanced textile techniques developed from weaving, knitting, and braiding. These techniques are evaluated in the context of fabricating cardiac patches, vascular graft constructs, stent designs, and state-of-the-art wearable sensors. We also closely examine the interaction of distinct process parameters with the biomechanical and morphological attributes of the resultant scaffolds. The research concludes by combining current findings and recommendations for subsequent investigation. Economic shortage ; Wearable computer ; Context (archaeology) ; Biomedical engineering ; Textile ; Weaving ; Process (computing) ; Computer science ; Medicine ; Engineering ; Materials science ; Mechanical engineering ; Biology ; Embedded system Electrospun Nanofibers in Biomedical Applications ; Tissue Engineering and Regenerative Medicine ; Additive Manufacturing and 3D Printing Technologies
Authors: Fernando Igoa | Thomas Gaudisson | Sylvie Le Floch | Benoı̂t Baptiste | Ludovic Delbes | Virgile Malarewicz | Olivier Beyssac | Keevin Béneut | Cristina Coelho Diogo | Christel Gervais | Gwenaëlle Rousse | Karsten Rasim | Yuri Grin | Alexandre Maı̂tre | Yann Le Godec | David Portehault
Source: ACS Nano (article, 2024-10-25)
Field: Materials Science — Materials Chemistry

Transforming Nanocrystals into Superhard Boron Carbide Nanostructures Boron carbide (B<sub>4+δ</sub>C) possesses a large potential as a structural material owing to its lightness, refractory character, and outstanding mechanical properties. However, its large-scale industrialization is set back by its tendency to amorphize when subjected to an external stress. In the present work, we design a path toward nanostructured boron carbide with greatly enhanced hardness and resistance to amorphization. The reaction pathway consists of triggering an isomorphic transformation of covalent nanocrystals of Na<sub>1-<i>x</i></sub>B<sub>5-<i>x</i></sub>C<sub>1+<i>x</i></sub> (<i>x</i> = 0.18) produced in molten salts. The resulting 10 nm B<sub>4.1</sub>C nanocrystals exhibit a 4-fold decrease of size compared to previous works. Solid-state <sup>11</sup>B and <sup>13</sup>C NMR coupled to density functional theory (DFT) reveal that the boron carbide nanocrystals are made of a complex mixture of atomic configurations, which are located at the covalent structural chains between B<sub>11</sub>C icosahedral building units. These nanocrystals are combined with a spark plasma-sintering-derived method operated at high pressure. This yields full densification while maintaining the particle size. The nanoscaled grains and high density of grain boundaries provide the resulting nanostructured bodies with significantly enhanced hardness and resistance to amorphization, thus delivering a superhard material. Materials science ; Nanocrystal ; Boron carbide ; Nanotechnology ; Nanostructure ; Boron ; Carbide ; Metallurgy ; Chemistry Boron and Carbon Nanomaterials Research ; Advanced ceramic materials synthesis ; Diamond and Carbon-based Materials Research
Authors: Binru Han | Shota Fujii | André J. van der Vlies | Masoud Ghasemi | Joshua T. Del Mundo | Sarah N. Kiemle | Esther W. Gomez | Enrique D. Gomez | Ralph H. Colby | Urara Hasegawa
Source: Advanced Functional Materials (article, 2024-11-16)
Field: Chemistry — Organic Chemistry

Thermally Induced Gelling Systems Based on Patchy Polymeric Micelles Abstract Thermogels that exhibit a sol‐gel transition at body temperature represent a promising class of injectable biomaterials for biomedical applications. Thermogels reported thus far are generally composed of amphiphilic block copolymer micelles with an isotropic thermosensitive surface that induces intermicellar aggregation upon heating. Despite the promise, these hydrogels exhibit low mechanical strengths due to their uncontrollable aggregation resulting in void formation. To gain better control over intermicellar assembly, herein a novel thermogel design concept is presented based on patchy polymeric micelles bearing multiple thermosensitive surface domains. These domains serve as “patches” to bridge the micelles to form a percolated network structure. Patchy micelles are prepared from a binary mixture of amphiphilic block copolymers: Poly( N ‐acryloylmorpholine)‐ b ‐poly( N ‐benzylacrylamide) (PAM‐PBzAM) and poly ( N ‐isopropyl acrylamide)‐ b ‐poly( N ‐benzylacrylamide) (PNIPAM‐PBzAM), where PBzAM, PAM and PNIPAM are the hydrophobic, hydrophilic and thermosensitive blocks, respectively. At 25 °C, the polymers self‐assembled into mixed shell micelles having a phase‐separated shell with PAM‐ and PNIPAM‐rich domains. At 37 °C, the PNIPAM domains undergo a hydrophilic‐to‐hydrophobic transition to induce intermicellar assembly into entangled worm‐like structures resulting in hydrogel formation. Patchy micelles form a homogeneous network structure without voids. The micelle design significantly affects the inter‐micellar assembly, the thermogelling behavior, and the mechanical properties of the hydrogels. Materials science ; Micelle ; Chemical engineering ; Nanotechnology ; Polymer science ; Organic chemistry ; Aqueous solution Advanced Polymer Synthesis and Characterization ; Hydrogels: synthesis, properties, applications ; Pickering emulsions and particle stabilization