jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Toby R. Palmer | Hanne M. van der Kooij | R. A. Bakar | Callum D. McAleese | Mathis Duewel | Katja Greiner | P. Couture | Matthew K. Sharpe | Joseph L. Keddie
Source: ACS Applied Polymer Materials (article, 2023-01-25)
Field: Chemistry — Organic Chemistry

Diffusiophoresis-Driven Stratification in Pressure-Sensitive Adhesive Films from Bimodal Waterborne Colloids The uses of pressure-sensitive adhesives (PSAs) are wide ranging, with applications including labels, tapes, and graphics. To achieve good adhesion, a PSA must exhibit a balance of viscous and elastic properties. Previous research has found that a thin, elastic surface layer on top of a softer, dissipative layer resulted in greater tack adhesion compared with the single layers. Superior properties were achieved through a bilayer obtained via successive depositions, which consume energy and time. To achieve a multilayered structure via a single deposition process, we have stratified mixtures of waterborne colloidal polymer particles with two different sizes: large poly(acrylate) adhesive particles (ca. 660 nm in diameter) and small poly(butyl acrylate) (pBA) particles (ca. 100 nm). We used two types of pBA within the particles: either viscoelastic pBA without an added cross-linker or elastic pBA with a fully cross-linked network. Stratified surface layers of deuterium-labeled pBA particles with thicknesses of at least 1 μm were found via elastic recoil detection and qualitatively verified via the analysis of surface topography. The extent of stratification increased with the evaporation rate; films that were dried slowest exhibited no stratification. This result is consistent with a model of diffusiophoresis. When the elastic, cross-linked pBA particles were stratified at the surface, the tack adhesion properties made a transition from brittle failure to tacky. For pBA without an added cross-linker, all adhesives showed fibrillation during debonding, but the extent of fibrillation increased when the films were stratified. These results demonstrate that the PSA structure can be controlled through the processing conditions to achieve enhanced properties. This research will aid the future development of layered or graded single-deposition PSAs with designed adhesive properties. Materials science ; Adhesive ; Composite material ; Viscoelasticity ; Acrylate ; Stratification (seeds) ; Colloid ; Crazing ; Adhesion ; Polymer ; Layer (electronics) ; Chemical engineering ; Monomer Advanced Polymer Synthesis and Characterization ; Polymer Surface Interaction Studies ; Surface Modification and Superhydrophobicity
Authors: Yuki Saito | Shu̅ Kobayashi
Source: Angewandte Chemie International Edition (article, 2023-11-22)
Field: Chemistry — Organic Chemistry

Continuous‐Flow Enantioselective Hydroacylations under Heterogeneous Chiral Rhodium Catalysts Transition metal-catalyzed enantioselective C-H bond functionalizations have become efficient methods for the synthesis of complex optically active molecules. Heterogeneous catalysts for this chemistry remain largely unexplored despite the advantages they offer in terms of ease of separation and reuse of catalysts. Herein, we report the development of heterogeneous chiral Rh catalysts for continuous-flow enantioselective hydroacylations. Heterogeneous catalysts could be prepared simply by mixing supports and Rh complexes. The prepared catalysts exhibited excellent activity and enantioselectivity affording optically active ketones in quantitative yields with 99 % ee's. Under the optimized reaction conditions, a turnover number >300 was achieved without the leaching of Rh species. The catalysts exhibited a wide substrate scope and in sequential-flow reactions with other heterogeneous catalysts, the syntheses of biologically active molecules and functional materials were demonstrated. Enantioselective synthesis ; Catalysis ; Chemistry ; Rhodium ; Combinatorial chemistry ; Heterogeneous catalysis ; Leaching (pedology) ; Molecule ; Transition metal ; Optically active ; Substrate (aquarium) ; Organic chemistry Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis ; Synthesis and Catalytic Reactions
Authors: Jonas E. Warias | Franziska Reise | Svenja C. Hövelmann | Rajendra P. Giri | Michael Röhrl | Jule Kuhn | Malte Jacobsen | Kuntal Chatterjee | Thomas Arnold | Chen Shen | Sven Festersen | Andrea Sartori | Philipp Jordt | Olaf M. Magnussen | Thisbe K. Lindhorst | Bridget M. Murphy
Source: Scientific Reports (article, 2023-07-16)
Field: Materials Science — Materials Chemistry

Photoinduced bidirectional switching in lipid membranes containing azobenzene glycolipids Following the reaction of biological membranes to external stimuli reveals fundamental insights into cellular function. Here, self-assembled lipid monolayers act as model membranes containing photoswitchable azobenzene glycolipids for investigating structural response during isomerization by combining Langmuir isotherms with X-ray scattering. Controlled in-situ trans/cis photoswitching of the azobenzene N = N double bond alters the DPPC monolayer structure, causing reproducible changes in surface pressure and layer thickness, indicating monolayer reorientation. Interestingly, for monolayers containing azobenzene glycolipids, along with the expected DPPC phase transitions an additional discontinuity is observed. The associated reorintation represents a crossover point, with the surface pressure and layer thickness changing in opposite directions above and below. This is evidence that the azobenzene glycolipids themselves change orientation within the monolayer. Such behaviour suggests that azobenzene glycolipids can act as a bidirectional switch in DPPC monolayers providing a tool to investigate membrane structure-function relationships in depth. Azobenzene ; Monolayer ; Membrane ; Glycolipid ; Isomerization ; Surface pressure ; Chemistry ; Lipid bilayer ; Biophysics ; Materials science ; Crystallography ; Molecule ; Nanotechnology ; Organic chemistry ; Biochemistry ; Biology Photochromic and Fluorescence Chemistry ; Lipid Membrane Structure and Behavior ; Photoreceptor and optogenetics research
Authors: Joaquin Llacer‐Wintle | Jan Renz | Lukas Hertle | Andrea Veciana | Denis von Arx | Jiang Wu | P. Bruna | Marija Vukomanović | Josep Puigmartí‐Luis | Bradley J. Nelson | Xiangzhong Chen | Salvador Pané
Source: Materials Horizons (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The magnetopyroelectric effect: heat-mediated magnetoelectricity in magnetic nanoparticle-ferroelectric polymer composites Magnetoelectricity enables a solid-state material to generate electricity under magnetic fields. Most magnetoelectric composites are developed through a strain-mediated route by coupling piezoelectric and magnetostrictive phases. However, the limited availability of high-performance magnetostrictive components has become a constraint for the development of novel magnetoelectric materials. Here, we demonstrate that nanostructured composites of magnetic and pyroelectric materials can generate electrical output, a phenomenon we refer to as the magnetopyroelectric (MPE) effect, which is analogous to the magnetoelectric effect in strain-mediated composite multiferroics. Our composite consists of magnetic iron oxide nanoparticles (IONPs) dispersed in a ferroelectric (and also pyroelectric) poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)) matrix. Under a high-frequency low-magnitude alternating magnetic field, the IONPs generate heat through hysteresis loss, which stimulates the depolarization process of the pyroelectric polymer. This magnetopyroelectric approach creates a new opportunity to develop magnetoelectric materials for a wide range of applications. Materials science ; Ferroelectricity ; Composite material ; Nanoparticle ; Magnetic nanoparticles ; Polymer ; Ferroelectric polymers ; Nanotechnology ; Optoelectronics ; Dielectric ; Copolymer Multiferroics and related materials ; Ferroelectric and Piezoelectric Materials ; Characterization and Applications of Magnetic Nanoparticles
Authors: Pratiksha Gawas | Buthanapalli Ramakrishna | Rajesh Pamanji | Joseph Selvin | N. Venkatramaiah
Source: Materials Advances (article, 2023-11-22)
Field: Chemistry — Spectroscopy

A novel triphenylamine based push–pull fluorophore bearing a 2-thiohydantoin unit for toxic Hg<sup>2+</sup> ion detection: exploring its potential for live cell imaging A novel triphenylamine based push–pull fluorophore (TPA-2TH) bearing a 2-thiohydantoin unit for detection of toxic Hg 2+ ion and its live cell imaging in Zebrafish. Triphenylamine ; Fluorophore ; Fluorescence ; Live cell imaging ; Materials science ; Ion ; Zebrafish ; Chemistry ; Cell ; Optoelectronics ; Optics ; Physics ; Biochemistry Molecular Sensors and Ion Detection ; Analytical Chemistry and Sensors ; Luminescence and Fluorescent Materials
Authors: Giuseppe Pezzella | Prashant M. Bhatt | Abdulhadi AlHaji | Adrián Ramírez | Carlos A. Grande | Jorge Gascón | Mohamed Eddaoudi | S. Mani Sarathy
Source: Cell Reports Physical Science (article, 2023-06-27)
Field: Chemistry — Inorganic Chemistry

Onboard capture and storage system using metal-organic frameworks for reduced carbon dioxide emissions from vehicles Heavy-duty freight transportation, a key part of global transportation networks, is an energy-intensive contributor to growing CO2 emissions. Here, an onboard post-combustion capture and storage system is proposed for heavy-duty freight vehicles. Two state-of-the-art metal-organic frameworks with high CO2 selectivity and high storage capacity, respectively, are chosen. With high stability and selectivity toward CO2, even in humid conditions, KAUST-7 is the capturing material. Al-soc-MOF-1 is the storage material, given its high gravimetric and volumetric CO2 uptake between 10 and 50 bar. The goal of the system is to reduce heavy-duty vehicle CO2 emissions by at least 50% and achieve above 95% CO2 purity at the storage point. KAUST-7’s thermodynamic and kinetic properties are measured and modeled, and process conditions are simulated and optimized in response to dynamic engine behavior. Captured and stored mass and volume are also minimized, resulting in methods to mitigate carbon emissions in the heavy-duty freight industry. Heavy duty ; Carbon capture and storage (timeline) ; Carbon dioxide ; Greenhouse gas ; Combustion ; Environmental science ; Process engineering ; Volume (thermodynamics) ; Waste management ; Gravimetric analysis ; Engineering ; Environmental engineering ; Automotive engineering ; Chemistry ; Climate change Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Carbon Dioxide Capture Technologies
Authors: Justin Dubbert | Alexander Höing | Nadine Graupner | Ľubomír Rajter | Micah Dunthorn | Shirley K. Knauer | Anzhela Galstyan | Fabio Rizzo | Jens Voskuhl
Source: Chemistry - A European Journal (article, 2023-04-12)
Field: Materials Science — Materials Chemistry

Cationic Solution and Solid‐State Emitters – Robust Imaging Agents for Cells, Bacteria, and Protists A library of eight different cationic emitters with emission properties in solution and in solid-state (solution and solid-state emitters - SSSE) is presented. These compounds, bearing either ammonium or pyridinium groups, have been investigated regarding their photophysical properties as well as their potential application in biological imaging. Besides high quantum yields as well as a high degree of stability during the imaging process, it was additionally revealed that a broad range of biological targets can be addressed, such as different bacterial strains, human cells as well as protists. The reported SSSE approach employing the mentioned robust emitters for biological imaging, will contribute to a rapid and facile way to design and apply affordable emitters with outstanding properties. Additionally, these emitters will overcome the drawbacks of classical luminophores and agents featuring well-known aggregation-induced emission (AIE) or aggregation-caused quenching (ACQ) properties. Cationic polymerization ; Aggregation-induced emission ; Quenching (fluorescence) ; Solid-state ; Pyridinium ; Fluorescence ; Materials science ; Biological imaging ; Nanotechnology ; Rational design ; Chemistry ; Optics ; Organic chemistry ; Physics ; Polymer chemistry Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Advanced biosensing and bioanalysis techniques
Authors: Marco Paolino | Modesto de Candia | Rosa Purgatorio | Marco Catto | M. Saletti | Anna Rita Tondo | Orazio Nicolotti | Andrea Cappelli | Antonella Brizzi | Claudia Mugnaini | Federico Corelli | Cosimo Altomare
Source: Molecules (article, 2023-08-03)
Field: Materials Science — Materials Chemistry

Investigation on Novel E/Z 2-Benzylideneindan-1-One-Based Photoswitches with AChE and MAO-B Dual Inhibitory Activity The multitarget therapeutic strategy, as opposed to the more traditional 'one disease-one target-one drug', may hold promise in treating multifactorial neurodegenerative syndromes, such as Alzheimer's disease (AD) and related dementias. Recently, combining a photopharmacology approach with the multitarget-directed ligand (MTDL) design strategy, we disclosed a novel donepezil-like compound, namely 2-(4-((diethylamino)methyl)benzylidene)-5-methoxy-2,3-dihydro-1<i>H</i>-inden-1-one (<b>1a</b>), which in the <i>E</i> isomeric form (and about tenfold less in the UV-B photo-induced isomer <i>Z</i>) showed the best activity as dual inhibitor of the AD-related targets acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B). Herein, we investigated further photoisomerizable 2-benzylideneindan-1-one analogs <b>1b</b>-<b>h</b> with the unconjugated tertiary amino moiety bearing alkyls of different bulkiness and lipophilicity. For each compound, the thermal stable <i>E</i> geometric isomer, along with the <i>E/Z</i> mixture as produced by UV-B light irradiation in the photostationary state (PSS, 75% <i>Z</i>), was investigated for the inhibition of human ChEs and MAOs. The pure <i>E</i>-isomer of the N-benzyl(ethyl)amino analog <b>1h</b> achieved low nanomolar AChE and high nanomolar MAO-B inhibition potencies (IC<sub>50</sub>s 39 and 355 nM, respectively), whereas photoisomerization to the <i>Z</i> isomer (75% <i>Z</i> in the PSS mixture) resulted in a decrease (about 30%) of AChE inhibitory potency, and not in the MAO-B one. Molecular docking studies were performed to rationalize the different <i>E</i>/<i>Z</i> selectivity of <b>1h</b> toward the two target enzymes. Chemistry ; Stereochemistry ; Monoamine oxidase B ; Acetylcholinesterase ; Moiety ; Lipophilicity ; Monoamine oxidase ; Enzyme ; Biochemistry Photochromic and Fluorescence Chemistry ; Photoreceptor and optogenetics research ; Cholinesterase and Neurodegenerative Diseases
Authors: Feng Xie | Liang Yu | Hao Wang | Jing Li
Source: Angewandte Chemie (article, 2023-02-16)
Field: Chemistry — Inorganic Chemistry

Metal‐Organic Frameworks for C6 Alkane Separation Abstract The separation of alkane isomers is an important yet challenging process in the petrochemical industry. Being a crucial step to produce premium gasoline components as well as optimum ethylene feed, the current industrial separation by distillation is extremely energy intensive. Adsorptive separation based on zeolite is limited by insufficient adsorption capacity. Metal‐organic frameworks (MOFs) hold enormous promise as alternative adsorbents due to their diverse structural tunability and exceptional porosity. Precise control of their pore geometry/dimensions has led to superior performance. In this minireview, we highlight the recent progresses in developing MOFs for the separation of C6 alkane isomers. Representative MOFs are reviewed based on their separation mechanisms. Emphasis is put on the material design rationale for achieving optimal separation capability. Finally, we briefly discuss the existing challenges, possible solutions, and future directions of this important field. Metal-organic framework ; Petrochemical ; Alkane ; Separation (statistics) ; Separation process ; Adsorption ; Zeolite ; Distillation ; Process engineering ; Gasoline ; Nanotechnology ; Process (computing) ; Porosity ; Materials science ; Biochemical engineering ; Computer science ; Chemical engineering ; Chemistry ; Organic chemistry ; Hydrocarbon ; Catalysis ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Membrane Separation and Gas Transport
Authors: Alessandro R. Mazza | Elizabeth Skoropata | Jason Lapano | Michael Chilcote | Cameron S. Jorgensen | Nan Tang | Zheng Gai | John Singleton | Matthew Brahlek | Dustin A. Gilbert | Thomas Z. Ward
Source: APL Materials (article, 2023-03-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Hole doping in compositionally complex correlated oxide enables tunable exchange biasing Magnetic interfaces and the phenomena arising from them drive both the design of modern spintronics and fundamental research. Recently, it was revealed that through designing magnetic frustration in configurationally complex entropy stabilized oxides, exchange bias can occur in structurally single crystal films. This eliminates the need for complex heterostructures and nanocomposites in the design and control of magnetic response phenomena. In this work, we demonstrate through hole doping of a high entropy perovskite oxide that tuning of magnetic responses can be achieved. With detailed magnetometry, we show magnetic coupling exhibiting a variety of magnetic responses including exchange bias and antiferromagnetic spin reversal in the entropy stabilized ABO3 perovskite oxide La1−xSrx(Cr0.2Mn0.2Fe0.2Co0.2Ni0.2)O3 family. We find that manipulation of the A-site charge state can be used to balance magnetic phase compositions and coupling responses. This allows for the creation of highly tunable exchange bias responses. In the low Sr doping regime, a spin frustrated region arising at the antiferromagnetic phase boundary is shown to directly couple to the antiferromagnetic moments of the film and emerges as the dominant mechanism, leading to a vertical shift of magnetization loops in response to field biasing. At higher concentrations, direct coupling of antiferromagnetic and ferromagnetic regions is observed. This tunability of magnetic coupling is discussed within the context of these three competing magnetic phases, revealing critical features in designing exchange bias through exploiting spin frustration and disorder in high entropy oxides. Exchange bias ; Condensed matter physics ; Spintronics ; Antiferromagnetism ; Materials science ; Ferromagnetism ; Magnetization ; Biasing ; Magnetic anisotropy ; Magnetic field ; Physics ; Voltage Magnetic and transport properties of perovskites and related materials ; High Entropy Alloys Studies ; Electronic and Structural Properties of Oxides
Authors: Gabriela Strnad | László Jakab-Farkas | Federico Simone Gobber | Ildiko Peter
Source: Journal of Functional Biomaterials (article, 2023-03-24)
Field: Materials Science — Materials Chemistry

Synthesis and Characterization of Nanostructured Oxide Layers on Ti-Nb-Zr-Ta and Ti-Nb-Zr-Fe Biomedical Alloys Nanoporous/nanotubular complex oxide layers were developed on high-fraction β phase quaternary Ti-Nb-Zr-Ta and Ti-Nb-Zr-Fe promising biomedical alloys with a low elasticity modulus. Surface modification was achieved by electrochemical anodization aimed at the synthesis of the morphology of the nanostructures, which exhibited inner diameters of 15-100 nm. SEM, EDS, XRD, and current evolution analyses were performed for the characterization of the oxide layers. By optimizing the process parameters of electrochemical anodization, complex oxide layers with pore/tube openings of 18-92 nm on Ti-10Nb-10Zr-5Ta, 19-89 nm on Ti-20Nb-20Zr-4Ta, and 17-72 nm on Ti-29.3Nb-13.6Zr-1.9Fe alloys were synthesized using 1 M H<sub>3</sub>PO<sub>4</sub> + 0.5 wt% HF aqueous electrolytes and 0.5 wt% NH<sub>4</sub>F + 2 wt% H<sub>2</sub>0 + ethylene glycol organic electrolytes. Materials science ; Anodizing ; Nanoporous ; Oxide ; Chemical engineering ; Electrochemistry ; Ethylene glycol ; Characterization (materials science) ; Electrolyte ; Metallurgy ; Nanotechnology ; Aluminium ; Physical chemistry ; Electrode Titanium Alloys Microstructure and Properties ; Bone Tissue Engineering Materials ; Orthopaedic implants and arthroplasty
Authors: Charu Sharma | Aritra Sarkar | Andreas Walther
Source: Chemical Science (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Transient co-assemblies of micron-scale colloids regulated by ATP-fueled reaction networks Self-assembly of colloidal particles offers an attractive bottom-up approach to functional materials. Current design strategies for colloidal assemblies are mostly based on thermodynamically controlled principles and lack autonomous behavior. The next advance in the properties of colloidal assemblies will come from coupling these structures to out-of-equilibrium chemical reaction networks furnishing them with autonomous and dynamic behavior. This, however, constitutes a major challenge of carefully modulating the interparticle potentials on a temporal circuit program and avoiding kinetic trapping and irreversible aggregation. Herein, we report the coupling of a fuel-driven DNA-based enzymatic reaction network (ERN) to micron-sized colloidal particles to achieve their transient co-assembly. The ERN operating on the molecular level transiently releases an Output strand which links two DNA functionalized microgel particles together into co-assemblies with a programmable assembly lifetime. The system generates minimal waste and recovers all components of the ERN after the consumption of the ATP fuel. The system can be reactivated by addition of new fuel as shown for up to three cycles. The design can be applied to organize other building blocks into hierarchical structures and materials with advanced biomimetic properties. Transient (computer programming) ; Colloid ; Scale (ratio) ; DNA ; Enzyme ; Chemistry ; Materials science ; Biophysics ; Chemical engineering ; Physics ; Computer science ; Biology ; Biochemistry ; Engineering ; Physical chemistry ; Quantum mechanics Pickering emulsions and particle stabilization ; Supramolecular Self-Assembly in Materials ; Lipid Membrane Structure and Behavior
Authors: Cecilia Wetzl | Sergi Brosel‐Oliu | Marco Carini | Desirè Di Silvio | Xavi Illa | Rosa Villa | Anton Guimerà‐Brunet | Elisabet Prats‐Alfonso | Maurizio Prato | Alejandro Criado
Source: Nanoscale (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Covalent functionalisation controlled by molecular design for the aptameric recognition of serotonin in graphene-based field-effect transistors In the last decade, solution-gated graphene field effect transistors (GFETs) showed their versatility in the development of a miniaturized multiplexed platform for electrophysiological recordings and sensing. Due to their working mechanism, the surface functionalisation and immobilisation of receptors are pivotal to ensure the proper functioning of devices. Herein, we present a controlled covalent functionalisation strategy based on molecular design and electrochemical triggering, which provide a monolayer-like functionalisation of micro-GFET arrays retaining the electronic properties of graphenes. The functionalisation layer as a receptor was then employed as the linker for serotonin aptamer conjugation. The micro-GFET arrays display sensitivity toward the target analyte in the micromolar range in a physiological buffer (PBS 10 mM). The sensor allows the in-flow real-time monitoring of serotonin transient concentrations with fast and reversible responses. Graphene ; Covalent bond ; Field-effect transistor ; Nanotechnology ; Transistor ; Materials science ; Chemistry ; Physics ; Quantum mechanics ; Organic chemistry ; Voltage Graphene research and applications ; Molecular Junctions and Nanostructures ; Nanowire Synthesis and Applications