jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: José Palomo | Miguel Ángel Rodríguez-Cano | José Berruezo-García | José Rodríguez‐Mirasol | Tomás Cordero
Source: Fuel (article, 2022-01-19)
Field: Chemistry — Inorganic Chemistry

Efficient methanol dehydration to DME and light hydrocarbons by submicrometric ZrO2-ZSM-5 fibrillar catalysts with a shell-like structure Catalysis ; Methanol ; Chemical engineering ; Zeolite ; ZSM-5 ; Mass transfer ; Adsorption ; Materials science ; Particle size ; Selectivity ; Reaction rate ; Dehydration ; Chemistry ; Organic chemistry ; Chromatography Zeolite Catalysis and Synthesis ; Catalysis and Hydrodesulfurization Studies ; Mesoporous Materials and Catalysis
Authors: Arijit Singha Hazari | Shubhadeep Chandra | Sanjib Kar | Biprajit Sarkar
Source: Chemistry - A European Journal (review, 2022-01-27)
Field: Materials Science — Materials Chemistry

Metal Complexes of Singly, Doubly and Triply Linked Porphyrins and Corroles: An Insight into the Physicochemical Properties Metal complexes of multi-porphyrins and multi-corroles are unique systems that display a host of extremely interesting properties. Availability of free meso and β positions allow formation of different types of directly linked bis-porphyrins giving rise to intriguing optical and electronic properties. While the fields of metalloporphyrin and corroles monomer have seen exponential growth in the last decades, the chemistry of metal complexes of bis-porphyrins and bis-corroles remain rather underexplored. Therefore, the impact of covalent linkages on the optical, electronic, (spectro)electrochemical, magnetic and electrocatalytic activities of metal complexes of bis-porphyrins and -corroles has been summarized in this review article. This article shows that despite the (still) somewhat difficult synthetic access to these molecules, their extremely exciting properties do make a strong case for pursuing research on these classes of compounds. Corrole ; Porphyrin ; Metal ; Monomer ; Covalent bond ; Chemistry ; Electrochemistry ; Molecule ; Nanotechnology ; Photochemistry ; Combinatorial chemistry ; Materials science ; Organic chemistry ; Polymer ; Physical chemistry ; Electrode Porphyrin and Phthalocyanine Chemistry ; Metal-Catalyzed Oxygenation Mechanisms ; Porphyrin Metabolism and Disorders
Authors: Zi‐Qing Huang | Shu-Man Zhao | Jiaqi Chen | Yue Zhao | Wei‐Yin Sun
Source: Molecules (article, 2022-11-03)
Field: Chemistry — Inorganic Chemistry

Pillar-Layered Metal-Organic Frameworks for Sensing Specific Amino Acid and Photocatalyzing Rhodamine B Degradation Metal-organic frameworks (MOFs) have presented potential for detection of specific species and catalytic application due to their diverse framework structures and functionalities. In this work, two novel pillar-layered MOFs [Cd<sub>6</sub>(DPA)<sub>2</sub>(NTB)<sub>4</sub>(H<sub>2</sub>O)<sub>4</sub>]<sub>n</sub>·n(DPA·5DMA·H<sub>2</sub>O) (<b>1</b>) and [Cu<sub>2</sub>(DPA)(OBA)<sub>2</sub>]<sub>n</sub>·n(2.5DMF·H<sub>2</sub>O) (<b>2</b>) [DPA = 2,5-di(pyridin-4-yl)aniline, H<sub>3</sub>NTB = 4,4',4''-nitrilotribenzoic acid, H<sub>2</sub>OBA = 4,4'-oxydibenzoic acid, DMA = N,N-dimethylacetamide, DMF = N,N-dimethylformamide] were successfully synthesized and structurally characterized. Both <b>1</b> and <b>2</b> have three-dimensional framework structures. The fluorescent property of <b>1</b> makes it possible for sensing specific amino acid such as L-glutamic acid (Glu) and L-aspartic acid (Asp). While MOF <b>2</b> was found to be suitable for photocatalytic degradation of Rhodamine B (RhB) in the presence of H<sub>2</sub>O<sub>2</sub>. The results imply that MOFs are versatile and metal centers are important in determining their properties. Pillar ; Rhodamine B ; Aspartic acid ; Metal-organic framework ; Chemistry ; Aniline ; Degradation (telecommunications) ; Combinatorial chemistry ; Amino acid ; Catalysis ; Polymer chemistry ; Photocatalysis ; Organic chemistry ; Adsorption ; Biochemistry Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Molecular Sensors and Ion Detection
Authors: Felicia Roffo | Alfonso Maria Ponsiglione | Paolo A. Netti | Enza Torino
Source: Biomedicines (article, 2022-02-14)
Field: Materials Science — Biomaterials

coupled Hydrodynamic Flow Focusing (cHFF) to Engineer Lipid–Polymer Nanoparticles (LiPoNs) for Multimodal Imaging and Theranostic Applications An optimal design of nanocarriers is required to overcome the gap between synthetic and biological identity, improving the clinical translation of nanomedicine. A new generation of hybrid vehicles based on lipid-polymer coupling, obtained by Microfluidics, is proposed and validated for theranostics and multimodal imaging applications. A coupled Hydrodynamic Flow Focusing (cHFF) is exploited to control the time scales of solvent exchange and the coupling of the polymer nanoprecipitation with the lipid self-assembly simultaneously, guiding the formation of Lipid-Polymer NPs (LiPoNs). This hybrid lipid-polymeric tool is made up of core-shell structure, where a polymeric chitosan core is enveloped in a lipid bilayer, capable of co-encapsulating simultaneously Gd-DTPA and Irinotecan/Atto 633 compounds. As a result, a monodisperse population of hybrid NPs with an average size of 77 nm, with preserved structural integrity in different environmental conditions and high biocompatibility, can be used for MRI and Optical applications. Furthermore, preliminary results show the enhanced delivery and therapeutic efficacy of Irinotecan-loaded hybrid formulation against U87 MG cancers cells. Nanomedicine ; Nanotechnology ; Lipid bilayer ; Materials science ; Nanocarriers ; Dispersity ; Polymer ; Microfluidics ; Biocompatibility ; Nanoparticle ; Liposome ; Biomedical engineering ; Chemistry ; Membrane ; Polymer chemistry Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Microfluidic and Bio-sensing Technologies
Authors: Aizhan Rakhmanova | Sandugash Kalybekkyzy | Baktiyar Soltabayev | Aiman Bissenbay | Nazym Kassenova | Zhumabay Bakenov | Almаgul Mentbayeva
Source: Nanomaterials (article, 2022-05-18)
Field: Materials Science — Biomaterials

Application of Response Surface Methodology for Optimization of Nanosized Zinc Oxide Synthesis Conditions by Electrospinning Technique Zinc oxide (ZnO) is a well-known semiconductor material due to its excellent electrical, mechanical, and unique optical properties. ZnO nanoparticles are widely used for the industrial-scale manufacture of microelectronic and optoelectronic devices, including metal oxide semiconductor (MOS) gas sensors, light-emitting diodes, transistors, capacitors, and solar cells. This study proposes optimization of synthesis parameters of nanosized ZnO by the electrospinning technique. A Box-Behnken design (BB) has been applied using response surface methodology (RSM) to optimize the selected electrospinning and sintering conditions. The effects of the applied voltage, tip-to-collector distance, and annealing temperature on the size of ZnO particles were successfully investigated. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images confirm the formation of polyvinylpyrrolidone-zinc acetate (PVP-ZnAc) fibers and nanostructured ZnO after annealing. X-ray diffraction (XRD) patterns indicate a pure phase of the hexagonal structure of ZnO with high crystallinity. Minimal-sized ZnO nanoparticles were synthesized at a constant applied potential of 16 kV, with a distance between collector and nozzle of 12 cm, flow rate of 1 mL/h, and calcination temperature of 600 °C. The results suggest that nanosized ZnO with precise control of size and morphology can be fabricated by varying electrospinning conditions, precursor solution concentration, and sintering temperature. Materials science ; Electrospinning ; Chemical engineering ; Crystallinity ; Annealing (glass) ; Nanoparticle ; Scanning electron microscope ; Nanotechnology ; Zinc ; Composite material ; Metallurgy ; Polymer Electrospun Nanofibers in Biomedical Applications ; Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Marco Ferrari | Jan‐Willem Handgraaf | Gianluca Boccardo | Antonio Buffo | Marco Vanni | Daniele Marchisio
Source: Physics of Fluids (article, 2022-02-01)
Field: Chemistry — Organic Chemistry

Molecular modeling of the interface of an egg yolk protein-based emulsion Many food emulsions are stabilized by functional egg yolk biomolecules, which act as surfactants at the oil/water interface. Detailed experimental studies on egg yolk emulsifying properties have been largely hindered due to the difficulty in isolating individual chemical species. Therefore, this work presents a molecular model of an oil/water interfacial system where the emulsifier is one of the most surface-active proteins from the egg yolk low-density lipoproteins (LDL), the so-called Apovitellenin I. Dissipative particle dynamics (DPD) was here adopted in order to simulate large systems over long time scales, when compared with full-atom molecular dynamics (MD). Instead of a manual assignment of the DPD simulation parameters, a fully automated coarse-graining procedure was employed. The molecular interactions used in the DPD system were determined by means of a parameter calibration based on matching structural data from atomistic MD simulations. Despite the little availability of experimental data, the model was designed to test the most relevant physical properties of the protein investigated. Protein structural and dynamics properties obtained via MD and DPD were compared highlighting advantages and limits of each molecular technique. Promising results were achieved from DPD simulations of the oil/water interface. The proposed model was able to properly describe the protein surfactant behavior in terms of interfacial tension decrease at increasing protein surface concentration. Moreover, the adsorption time of a free protein molecule was estimated and, finally, an LDL-like particle adsorption mechanism was qualitatively reproduced. Dissipative particle dynamics ; Molecular dynamics ; Surface tension ; Yolk ; Emulsion ; Biomolecule ; Adsorption ; Chemical physics ; Particle (ecology) ; Biological system ; Water model ; Protein adsorption ; Physics ; Chemistry ; Nanotechnology ; Materials science ; Thermodynamics ; Physical chemistry ; Computational chemistry ; Biochemistry Surfactants and Colloidal Systems ; Proteins in Food Systems ; Material Dynamics and Properties
Authors: Isabel Abánades Lázaro | Ross S. Forgan | Francisco G. Cirujano
Source: Dalton Transactions (article, 2022-01-01)
Field: Chemistry — Inorganic Chemistry

MOF nanoparticles as heterogeneous catalysts for direct amide bond formations The influence of composition and textural characteristics of a family of ultra-small isoreticular UiO-type metal-organic frameworks (MOFs) with different functionalized and extended linkers on their catalytic performance is evaluated. Two direct amide bond formations across four different substrates (benzylamine + phenylacetic acid and aniline + formic acid) are employed as proof-of-concept reactions to test the activity of the Zr-MOF nanoparticles. The reaction rates of amide bond formation are evaluated against physico-chemical properties such as crystallinity, porosity, particle size or linker functionality, alongside the Lewis acid and hydrophobic properties of the MOFs, in order to gain insights into the catalytic mechanism and optimal properties for its enhancement. Catalysis ; Amide ; Metal-organic framework ; Peptide bond ; Nanoparticle ; Chemistry ; Combinatorial chemistry ; Materials science ; Nanotechnology ; Chemical engineering ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Chemical Synthesis and Analysis ; Chemical Synthesis and Reactions
Authors: Anaïs Brion | Juliane Chaud | Jérémie Léonard | Frédéric Bolze | Stefan Chassaing | Benoı̂t Frisch | Béatrice Heurtault | Antoine Kichler | Alexandre Specht
Source: Advanced Healthcare Materials (article, 2022-10-12)
Field: Materials Science — Materials Chemistry

Red Light‐Responsive Upconverting Nanoparticles for Quantitative and Controlled Release of a Coumarin‐Based Prodrug Photolytic reactions allow the optical control of the liberation of biological effectors by photolabile protecting groups. The development of versatile technologies enabling the use of deep-red or NIR light excitation still represents a challenging issue, in particular for light-induced drug release (e.g., light-induced prodrug activation). Here, light-sensitive biocompatible lipid nanocapsules able to liberate an antitumoral drug through photolysis are presented. It is demonstrated that original photon upconverting nanoparticles (LNC-UCs) chemically conjugated to a coumarin-based photocleavable linker can quantitatively and efficiently release a drug by upconversion luminescence-assisted photolysis using a deep-red excitation wavelength. In addition, it is also able to demonstrate that such nanoparticles are stable in the dark, without any drug leakage in the absence of light. These findings open new avenues to specifically liberate diverse drugs using deep-red or NIR excitations for future therapeutic applications in nanomedicine. Prodrug ; Nanoparticle ; Nanomedicine ; Conjugated system ; Materials science ; Photon upconversion ; Nanotechnology ; Nanocapsules ; Nanocarriers ; Chemistry ; Combinatorial chemistry ; Luminescence ; Organic chemistry ; Optoelectronics ; Polymer ; Biochemistry Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Nanoplatforms for cancer theranostics
Authors: Qi Chen | Rafael Auras | Milena Corredig | Jacob J. K. Kirkensgaard | Aref Mamakhel | Ilke Uysal‐Unalan
Source: International Journal of Biological Macromolecules (article, 2022-09-26)
Field: Materials Science — Biomaterials

New opportunities for sustainable bioplastic development: Tailorable polymorphic and three-phase crystallization of stereocomplex polylactide by layered double hydroxide Stereocomplexation between enantiomeric poly(l-lactide) (PLLA) and poly(d-lactide) (PDLA) is a promising sustainable approach and gaining momentum to overcome the shortcomings of polylactide (PLA) for its use as a replacement for fossil-based plastics. Filler addition in tailoring the crystallization of stereocomplex PLA (SC-PLA) has attracted extensive attention; however, research has primarily focused on the heterogeneous nucleation effect of filler. The impact of filler on the chain behavior of SC-PLA during crystallization has not been exclusively discussed, and the rigid amorphous fraction (RAF) development remains unknown. In this study, the crystallization of PLLA/PDLA blends was modified by low loading of layered double hydroxide (LDH) (≤ 1 wt%) with the proposed local effect of such filler, and additional RAF development was incurred. In the early stage of crystallization, LDH facilitates the pairing of PLLA and PDLA and arrests the ordered SC pairs during the dynamic balance between the separation and pairing of racemic segments. This explains the severely suppressed homochiral (HC) crystallization, promoted SC crystallization, and additional RAF formation driven by the nucleation-induced chain ordering. This work, for the first time, highlights the role of LDH in creating SC-PLA with tailorable polymorphism and RAF, where the mechanism can be extended to other filler-type nucleator systems. Crystallization ; Nucleation ; Materials science ; Chemical engineering ; Lactide ; Bioplastic ; Filler (materials) ; Phase (matter) ; Tacticity ; Composite material ; Polymer ; Chemistry ; Organic chemistry ; Copolymer ; Polymerization biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis
Authors: Sylvestre P. J. T. Bachollet | Yuriy Shpinov | Fanny Broch | Hela Benaissa | Arnaud Gautier | Nicolas Pietrancosta | Jean‐Maurice Mallet | Blaise Dumat
Source: Organic & Biomolecular Chemistry (article, 2022-01-01)
Field: Materials Science — Materials Chemistry

An expanded palette of fluorogenic HaloTag probes with enhanced contrast for targeted cellular imaging We report the development of HaloTag fluorogens based on dipolar flexible molecular rotor structures. By modulating the electron donating and withdrawing groups, we have tuned the absorption and emission wavelengths to design a palette of fluorogens with emissions spanning the green to red range, opening new possibilities for multicolor imaging. The probes were studied in glycerol and in the presence of HaloTag and exhibited good fluorogenic properties thanks to a viscosity-sensitive emission. In live-cell confocal imaging, the fluorogens yielded only a very low non-specific signal that enabled wash-free targeted imaging of intracellular organelles and proteins with good contrast. Combining experimental studies and theoretical investigation of the protein/fluorogen complexes by molecular dynamics, these results offer new insight into the design of molecular rotor-based fluorogenic HaloTag probes in order to improve reaction rates and the imaging contrast. Palette (painting) ; Molecular imaging ; Chemistry ; Fluorescence ; Nanotechnology ; Biophysics ; Materials science ; Biology ; Computer science ; Optics ; Genetics ; Physics Lanthanide and Transition Metal Complexes ; Click Chemistry and Applications ; Molecular Sensors and Ion Detection
Authors: Livy Laysandra | Andreas Njotoprajitno | Suhendro Purbo Prakoso | Yu‐Cheng Chiu
Source: Materials Advances (article, 2022-01-01)
Field: Materials Science — Polymers and Plastics

From stretchable and healable to self-healing semiconducting polymers: design and their TFT devices This review concisely elaborates the advancement from stretchable toward autonomous self-healable semiconducting polymers owing to their long-term use and enhanced reliability, maintenance, and durability for modern thin-film transistor devices. Materials science ; Self-healing ; Thin-film transistor ; Nanotechnology ; Medicine ; Layer (electronics) Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Organic Electronics and Photovoltaics
Authors: João Fernandes | Tiago Queirós | João Rodrigues | Siva Sankar Nemala | Alec P. LaGrow | E. Placidi | Pedro Alpuim | Jana B. Nieder | Andrea Capasso
Source: FlatChem (article, 2022-04-15)
Field: Materials Science — Materials Chemistry

Room-temperature emitters in wafer-scale few-layer hBN by atmospheric pressure CVD Hexagonal boron nitride (hBN) is a two-dimensional, wide band gap semiconductor material suitable for several technologies. 2D hBN appeared as a viable platform to produce bright and optically stable single photon emitters (SPEs) at room temperature, which are in demand for quantum technologies. In this context, one main challenge concerns the upscaling of 2D hBN with uniform spatial and spectral distribution of SPE sources. In this work we optimized the atmospheric-pressure chemical vapor deposition (APCVD) growth and obtained large-area 2D hBN with uniform fluorescence emission properties. We characterized the hBN films by a combination of electron microscopy, Raman and X-ray photoelectron spectroscopy techniques. The extensive characterization revealed few-layer, polycrystalline hBN films (∼3 nm thickness) with balanced stoichiometry and uniformity over 2″ wafer scale. We studied the fluorescence emission properties of the hBN films by multidimensional hyperspectral fluorescence microscopy. We measured simultaneously the spatial position, intensity, and spectral properties of the emitters, which were exposed to continuous illumination over minutes. Three main emission peaks (at 538, 582, and 617 nm) were observed, with associated replica peaks red-shifted by ∼53 nm. A surface emitter density of ∼0.1 emitters/μm2 was found. A comparative test with pristine hBN nanosheets produced by liquid-phase exfoliation (LPE) was performed, finding that CVD and LPE hBN possess analogous spectral emitter categories in terms of peak position/intensity and density. Overall, the line-shape and wavelength of the emission peaks, as well as the other measured features, are consistent with single-photon emission from hBN. The results indicate that APCVD hBN might proficiently serve as a SPE platform for quantum technologies. Materials science ; Optoelectronics ; Raman spectroscopy ; Wafer ; Chemical vapor deposition ; Common emitter ; Context (archaeology) ; Millimeter ; Emission spectrum ; Photoluminescence ; Analytical Chemistry (journal) ; Optics ; Spectral line Diamond and Carbon-based Materials Research ; Graphene research and applications ; Nanowire Synthesis and Applications
Authors: Gyanendra Singh | Claudio Guarcello | Edouard Lesne | D. Winkler | T. Claeson | Thilo Bauch | Ф. Ломбарди | Andrea D. Caviglia | R. Citro | Mario Cuoco | Alexei Kalaboukhov
Source: npj Quantum Materials (article, 2022-01-12)
Field: Materials Science — Materials Chemistry

Gate-tunable pairing channels in superconducting non-centrosymmetric oxides nanowires Abstract Two-dimensional SrTiO 3 -based interfaces stand out among non-centrosymmetric superconductors due to their intricate interplay of gate-tunable Rashba spin-orbit coupling and multi-orbital electronic occupations, whose combination theoretically prefigures various forms of non-standard superconductivity. By employing superconducting transport measurements in nano-devices we present strong experimental indications of unconventional superconductivity in the LaAlO 3 /SrTiO 3 interface. The central observations are the substantial anomalous enhancement of the critical current by small magnetic fields applied perpendicularly to the plane of electron motion, and the asymmetric response with respect to the magnetic field direction. These features cannot be accommodated within a scenario of canonical spin-singlet superconductivity. We demonstrate that the experimental observations can be described by a theoretical model based on the coexistence of Josephson channels with intrinsic phase shifts. Our results exclude a time-reversal symmetry breaking scenario and suggest the presence of anomalous pairing components that are compatible with inversion symmetry breaking and multi-orbital physics. Pairing ; Point reflection ; Superconductivity ; Condensed matter physics ; Physics ; Nanowire ; Symmetry (geometry) ; T-symmetry ; Spin–orbit interaction ; Magnetic field ; Coupling (piping) ; Materials science ; Quantum mechanics Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics
Authors: Mateusz Dembowski | John Rowley | Kevin S. Boland | Janelle Droessler | David A. Hathcoat | Alexandria N. Marchi | George S. Goff | Iain May
Source: Journal of Chromatography A (article, 2022-09-21)
Field: Chemistry — Analytical Chemistry

Rare earth element separations by high-speed counter-current chromatography Chemistry ; Countercurrent chromatography ; Chromatography ; Elution ; Resolution (logic) ; Stationary phase ; Analytical Chemistry (journal) ; Phosphoric acid ; High-performance liquid chromatography ; Organic chemistry Chromatography in Natural Products ; Analytical Chemistry and Chromatography ; Mesoporous Materials and Catalysis