jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jake Kline | Michael W. Belford | Jingjing Huang | Joseph B. Greer | David Bergen | Ryan T. Fellers | Sylvester M. Greer | David M. Horn | Vlad Zabrouskov | Romain Huguet | Cornelia Boeser | Kenneth R. Durbin | Luca Fornelli
Source: Analytical Chemistry (article, 2023-05-30)
Field: Chemistry — Spectroscopy

Improved Label-Free Quantification of Intact Proteoforms Using Field Asymmetric Ion Mobility Spectrometry The high-throughput quantification of intact proteoforms using a label-free approach is typically performed on proteins in the 0-30 kDa mass range extracted from whole cell or tissue lysates. Unfortunately, even when high-resolution separation of proteoforms is achieved by either high-performance liquid chromatography or capillary electrophoresis, the number of proteoforms that can be identified and quantified is inevitably limited by the inherent sample complexity. Here, we benchmark label-free quantification of proteoforms of <i>Escherichia coli</i> by applying gas-phase fractionation (GPF) via field asymmetric ion mobility spectrometry (FAIMS). Recent advances in Orbitrap instrumentation have enabled the acquisition of high-quality intact and fragmentation mass spectra without the need for averaging time-domain transients prior to Fourier transform. The resulting speed improvements allowed for the application of multiple FAIMS compensation voltages in the same liquid chromatography-tandem mass spectrometry experiment without increasing the overall data acquisition cycle. As a result, the application of FAIMS to label-free quantification based on intact mass spectra substantially increases the number of both identified and quantified proteoforms without penalizing quantification accuracy in comparison to traditional label-free experiments that do not adopt GPF. Chemistry ; Orbitrap ; Ion-mobility spectrometry ; Mass spectrometry ; Chromatography ; Label-free quantification ; Fragmentation (computing) ; Analytical Chemistry (journal) ; Tandem mass spectrometry ; Quantitative proteomics ; Proteomics ; Computer science Mass Spectrometry Techniques and Applications ; Analytical Chemistry and Chromatography ; Metabolomics and Mass Spectrometry Studies
Authors: Astrid Quaak | Quinten Thijssen | Sandra Van Vlierberghe
Source: Polymer Chemistry (article, 2023-01-01)
Field: Materials Science — Polymers and Plastics

Exploiting the network architecture of thiol–ene photo-crosslinked poly(ε-caprolactone) towards tailorable materials for light-based 3D-printing Thiol–ene photo-crosslinked poly-ε-caprolactone networks, exhibiting varying network architectures, were employed to fine-tune physico-chemical characteristics, while simultaneously exploring their potential application in digital light processing. Caprolactone ; Ene reaction ; Materials science ; Polymer chemistry ; Thiol ; Polymer science ; Chemical engineering ; Computer science ; Copolymer ; Chemistry ; Composite material ; Organic chemistry ; Polymer ; Engineering Polymer composites and self-healing ; biodegradable polymer synthesis and properties ; Advanced Polymer Synthesis and Characterization
Authors: Jing Shi | Bailing Jiang | Cong Li | Zheng Liu | Fangyuan Yan
Source: Journal of Materials Science (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Sputtered titanium nitride films as pseudocapacitive electrode for on chip micro-supercapacitors Materials science ; Titanium nitride ; Electrode ; Thin film ; Tin ; Sputtering ; Titanium ; Sputter deposition ; Supercapacitor ; Capacitance ; Nitride ; Nanotechnology ; Optoelectronics ; Layer (electronics) ; Composite material ; Metallurgy Supercapacitor Materials and Fabrication ; MXene and MAX Phase Materials ; Electrospun Nanofibers in Biomedical Applications
Authors: M. Pershaanaa | Fathiah Kamarulazam | Ong Gerard | Zhi Ling Goh | Shahid Bashir | Kashmiri Baruah | Pritam Deb | S. Ramesh | K. Ramesh
Source: Materials Today Communications (article, 2023-05-09)
Field: Materials Science — Materials Chemistry

MXenes and their transformation to composites for potential applications MXenes ; Materials science ; Nanotechnology ; MAX phases ; Commercialization ; Carbide ; Composite material MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; Advanced Photocatalysis Techniques
Authors: Yifan Bo | Pengfei Hou | Jun Wan | Hong‐Tao Cao | Yuyu Liu | Linghai Xie | Dirk M. Guldi
Source: Advanced Materials (article, 2023-06-08)
Field: Materials Science — Materials Chemistry

One‐Pot Synthesis and Excited‐State Dynamics of Null Exciton‐Coupled Diketopyrrolopyrroles Oligo‐Grids Exciton coupling in molecular aggregates plays a vital role in impacting and fine-tuning optoelectronic materials and their efficiencies in devices. A versatile platform to decipher aggregation-property relationships is built around multichromophoric architectures. Here, a series of cyclic diketopyrrolopyrrole (DPP) oligomers featuring nanoscale gridarene structures and rigid bifluorenyl spacers are designed and synthesized via one-pot Friedel-Crafts reaction. DPP dimer [2]Grid and trimer [3]Grid, which are cyclic rigid nanoarchitectures of rather different sizes, are further characterized via steady-state and time-resolved absorption and fluorescence spectroscopies. They exhibit monomer-like spectroscopic signatures in the steady-state measurements, from which null exciton couplings are derived. Moreover, in an apolar solvent, high fluorescence quantum yields and excited-state dynamics that resembled DPP monomer are gathered. In a polar solvent, the localized singlet excited state on a single DPP dissociates into the adjacent null coupling DPP with charge transfer characteristics. This pathway facilitates the evolution of the symmetry-broken charge-separated state (SB-CS). Notable is the fact that the SB-CS of [2]Grid is, on one hand, in equilibrium with the singlet excited state and promotes, on the other hand, the formation of the triplet excited state with a yield of 32% via charge recombination. Excited state ; Exciton ; Materials science ; Chemical physics ; Monomer ; Trimer ; Fluorescence ; Singlet state ; Quantum yield ; Photochemistry ; Dimer ; Singlet fission ; Molecular physics ; Atomic physics ; Chemistry ; Polymer ; Physics ; Organic chemistry ; Condensed matter physics ; Quantum mechanics Luminescence and Fluorescent Materials ; Perovskite Materials and Applications ; Porphyrin and Phthalocyanine Chemistry
Authors: Ramakrishna Nayak | Prakash Shetty | M. Selvakumar | B. Shivamurthy | Ashok Rao | K. V. Sriram | M.S. Murari | Akshayakumar Kompa | U. Deepika Shanubhogue
Source: Ceramics International (article, 2023-09-25)
Field: Materials Science — Materials Chemistry

Influence of microstructure and thermoelectric properties on the power density of multi-walled carbon nanotube/ metal oxide hybrid flexible thermoelectric generators Materials science ; Thermoelectric effect ; Thermoelectric generator ; Seebeck coefficient ; Non-blocking I/O ; Carbon nanotube ; Oxide ; Thermoelectric materials ; Crystallite ; Microstructure ; Composite material ; Band gap ; Nanotechnology ; Optoelectronics ; Metallurgy ; Thermal conductivity Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies ; Thermal properties of materials
Authors: Ho Yeon Lee | Wonjong Yu | Yoon Ho Lee
Source: Journal of Alloys and Compounds (article, 2023-11-03)
Field: Materials Science — Materials Chemistry

High-performance low-temperature solid oxide fuel cell with nanostructured lanthanum strontium cobaltite/yttria-stabilized zirconia cathode via advanced co-sputtering Recently, there has been a growing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas for improved performance and low-temperature operation of solid oxide fuel cells. Recent advancements using a refined approach of co-sputtering metal alloys and oxide targets have shown the feasibility of nano-columnar structures of perovskite-based electrodes. This achievement notably expands the operating temperature range for thin film electrodes. In this study, we systematically examine the effects of chamber pressure control in the co-sputtering process using LSC perovskite oxide and YZr metal-alloy targets, targeting cathode application in all-sputtered SOFCs. We focus on variations in columnar shape, particle size, and electrochemical performance. Contrary to conventional sputtering methods, our research identifies that the relationship between sputtering pressure and the film structure is significantly complicated. Notably, the growth characteristics of metal alloys and the oxide materials diverge, leading to intricate structural changes under the process conditions. We observe substantial enhancements of performance and thermo-mechanical properties by fine-tuning columnar growth in the electrode, resulting in a high performance of 580 mW/cm² in all-sputtered SOFCs at 500 °C. Sputtering ; Materials science ; Cobaltite ; Oxide ; Cathode ; Perovskite (structure) ; Yttria-stabilized zirconia ; Solid oxide fuel cell ; Thin film ; Cubic zirconia ; Lanthanum ; Electrode ; Alloy ; Metallurgy ; Nanotechnology ; Ceramic ; Chemical engineering ; Anode ; Inorganic chemistry ; Chemistry Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Catalysis and Oxidation Reactions
Authors: Iulia Corina Ciobotaru | Daniela Oprea | Constantin Claudiu Ciobotaru | Teodor Adrian Enache
Source: Biosensors (article, 2023-12-15)
Field: Materials Science — Materials Chemistry

Low-Cost Plant-Based Metal and Metal Oxide Nanoparticle Synthesis and Their Use in Optical and Electrochemical (Bio)Sensors Technological progress has led to the development of analytical tools that promise a huge socio-economic impact on our daily lives and an improved quality of life for all. The use of plant extract synthesized nanoparticles in the development and fabrication of optical or electrochemical (bio)sensors presents major advantages. Besides their low-cost fabrication and scalability, these nanoparticles may have a dual role, serving as a transducer component and as a recognition element, the latter requiring their functionalization with specific components. Different approaches, such as surface modification techniques to facilitate precise biomolecule attachment, thereby augmenting recognition capabilities, or fine tuning functional groups on nanoparticle surfaces are preferred for ensuring stable biomolecule conjugation while preserving bioactivity. Size optimization, maximizing surface area, and tailored nanoparticle shapes increase the potential for robust interactions and enhance the transduction. This article specifically aims to illustrate the adaptability and effectiveness of these biosensing platforms in identifying precise biological targets along with their far-reaching implications across various domains, spanning healthcare diagnostics, environmental monitoring, and diverse bioanalytical fields. By exploring these applications, the article highlights the significance of prioritizing the use of natural resources for nanoparticle synthesis. This emphasis aligns with the worldwide goal of envisioning sustainable and customized biosensing solutions, emphasizing heightened sensitivity and selectivity. Nanotechnology ; Biosensor ; Surface modification ; Computer science ; Biomolecule ; Nanoparticle ; Scalability ; Materials science ; Biochemical engineering ; Engineering Nanoparticles: synthesis and applications ; Biosensors and Analytical Detection ; Advanced biosensing and bioanalysis techniques
Authors: Baoxing Shen | Lihua Liu | Yubo Huang | Jichun Wu | Huan Feng | Yu Liu | He Huang | Xin Zhang
Source: Aggregate (article, 2023-09-11)
Field: Chemistry — Spectroscopy

Installing hydrogen bonds as a general strategy to control viscosity sensitivity of molecular rotor fluorophores Abstract Molecular rotor‐based fluorophores (RBFs) activate fluorescence upon increase of micro‐viscosity, thus bearing a broad application promise in many fields. However, it remains a challenge to control how fluorescence of RBFs responds to viscosity changes. Herein, we demonstrate that the formation and regulation of intramolecular hydrogen bonds in the excited state of RBFs could modulate their rotational barrier, leading to a rational control of how their fluorescence can be activated by micro‐viscosity. Based on this strategy, a series of RBFs were developed based on 4‐hydroxybenzylidene‐imidazolinone (HBI) that span a wide range of viscosity sensitivity. Combined with the AggTag method that we previously reported, the varying viscosity sensitivity and emission spectra of these probes enabled a dual‐color imaging strategy that detects both protein oligomers and aggregates during the multistep aggregation process of proteins in live cells. In summary, our work indicates that installing intracellular excited state hydrogen bonds to RBFs allows for a rational control of rotational barrier, thus allow for a fine tune of their viscosity sensitivity. Beyond RBFs, we envision similar strategies can be applied to control the fluorogenic behavior of a large group of fluorophores whose emission is dependent on excited state rotational motion, including aggregation‐induced emission fluorophores. Viscosity ; Fluorescence ; Hydrogen bond ; Chemistry ; Intramolecular force ; Rotor (electric) ; Photochemistry ; Chemical physics ; Materials science ; Molecule ; Organic chemistry ; Physics ; Optics Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Supramolecular Chemistry and Complexes
Authors: Gaurav Bassi | Riya Wadhwa | Sonia Deswal | Pradeep Kumar | Mukesh Kumar
Source: Journal of Alloys and Compounds (article, 2023-04-24)
Field: Materials Science — Materials Chemistry

Controlled and tunable growth of ambient stable 2D PtS2 thin film and its high-performance broadband photodetectors X-ray photoelectron spectroscopy ; Photodetector ; Optoelectronics ; Substrate (aquarium) ; Materials science ; Responsivity ; Chemical vapor deposition ; Raman spectroscopy ; Electron mobility ; Sapphire ; Analytical Chemistry (journal) ; Chemistry ; Optics ; Chemical engineering ; Laser 2D Materials and Applications ; Ga2O3 and related materials ; Perovskite Materials and Applications
Authors: ELİF ÖZCAN | ZELİHA MERMER | Yunus Zorlu
Source: TURKISH JOURNAL OF CHEMISTRY (article, 2023-10-31)
Field: Chemistry — Inorganic Chemistry

Metal-organic frameworks as photocatalysts in energetic and environmental applications Metal-organic frameworks (MOFs) are an exciting new class of porous materials with great potential for photocatalytic applications in the environmental and energy sectors. MOFs provide significant advantages over more traditional materials when used as photocatalysts due to their high surface area, adaptable topologies, and functional ability. In this article, we summarize current developments in the use of MOFs as photocatalysts for a variety of applications, such as CO<sub>2</sub> reduction, water splitting, pollutant degradation, and hydrogen production. We discuss the fundamental properties of MOFs that make them ideal for photocatalytic applications, as well as strategies for improving their performance. The opportunities and challenges presented by this rapidly expanding field are also highlighted. Photocatalysis ; Metal-organic framework ; Nanotechnology ; Chemistry ; Degradation (telecommunications) ; Pollutant ; Biochemical engineering ; Materials science ; Catalysis ; Computer science ; Telecommunications ; Engineering ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Advanced Photocatalysis Techniques
Authors: Xiang Gao | Wenhui Yan | Hu Boyang | Yuxin Huang | Shi-Mei Zheng
Source: Molecules (review, 2023-08-30)
Field: Chemistry — Inorganic Chemistry

Porous Metal–Organic Frameworks for Light Hydrocarbon Separation The separation of light hydrocarbon compounds is an important process in the chemical industry. Currently, its separation methods mainly include distillation, membrane separation, and physical adsorption. However, these traditional methods or materials have some drawbacks and disadvantages, such as expensive equipment costs and high energy consumption, poor selectivity, low separation ratios, and separation efficiencies. Therefore, it is important to develop novel separation materials for light hydrocarbon separation. As a new type of organic-inorganic hybrid crystalline material, metal-organic frameworks (MOFs) are promising materials for light hydrocarbon separation due to their designability of structure and easy modulation of function. This review provides an overview of recent advances in the design, synthesis, and application of MOFs for light hydrocarbon separation in recent years, with a focus on the separation of alkane, alkene, and alkyne. We discuss strategies for improving the adsorption selectivity and capacity of MOFs, including pore size limitation, physical adsorption, and chemisorption. In addition, we discuss the advantages/disadvantages, challenges, and prospects of MOFs in the separation of light hydrocarbon. Hydrocarbon ; Adsorption ; Metal-organic framework ; Gas separation ; Materials science ; Nanotechnology ; Chemical engineering ; Porosity ; Separation process ; Selectivity ; Chemisorption ; Selective adsorption ; Hydrocarbon mixtures ; Alkane ; Organic chemistry ; Chemistry ; Membrane ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Covalent Organic Framework Applications
Authors: P Hima | Vageesh M | Michele Tomasini | Albert Poater | Raju Dey
Source: Molecular Catalysis (article, 2023-04-05)
Field: Chemistry — Organic Chemistry

Transition metal-free synthesis of 2-aryl quinazolines via alcohol dehydrogenation We report here a transition metal-free synthesis of quinazoline derivatives starting from 2-aminobenzyl alcohols and aryl amides via an alcohol dehydrogenation strategy promoted by potassium tertiary butoxide. The control experiments are carried out to identify the reaction intermediates and the role of the K+ ion in the reaction. The DFT calculations unveil the reaction mechanism, with special focus on the rate determining state. The present method tolerates a variety of functional groups providing easy access to diversely substituted quinazolines. Dehydrogenation ; Chemistry ; Alcohol ; Aryl ; Catalysis ; Transition metal ; Quinazoline ; Combinatorial chemistry ; Reaction mechanism ; Potassium ; Organic chemistry Quinazolinone synthesis and applications ; Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods
Authors: Diogo Inácio | Ana Lucia Pinto | Ana B. Paninho | Luı́s C. Branco | Sunny K. S. Freitas | Hugo Cruz
Source: Nanomaterials (article, 2023-03-28)
Field: Materials Science — Materials Chemistry

Application of Covalent Organic Frameworks (COFs) as Dyes and Additives for Dye-Sensitized Solar Cells (DSSCs) Five Covalent Organic Frameworks (COFs) were synthesized and applied to Dye-Sensitized Solar Cells (DSSCs) as dyes and additives. These porous nanomaterials are based on cheap, abundant commercially available ionic dyes (thionin acetate RIO-43, Bismarck brown Y RIO-55 and pararosaniline hydrochloride RIO-70), and antibiotics (dapsone RIO-60) are used as building blocks. The reticular innovative organic framework RIO-60 is the most promising dye for DSSCs. It possesses a short-circuit current density (J<sub>sc</sub>) of 1.00 mA/cm<sup>2</sup>, an open-circuit voltage (V<sub>oc</sub>) of 329 mV, a fill factor (FF) of 0.59, and a cell efficiency (η) of 0.19%. These values are higher than those previously reported for COFs in similar devices. This first approach using the RIO family provides a good perspective on its application in DSSCs as a dye or photoanode dye enhancer, helping to increase the cell's lifespan. Dye-sensitized solar cell ; Covalent bond ; Nanomaterials ; Materials science ; Open-circuit voltage ; Covalent organic framework ; Short circuit ; Nanotechnology ; Chemical engineering ; Chemistry ; Voltage ; Organic chemistry ; Electrolyte ; Electrode ; Electrical engineering Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Perovskite Materials and Applications
Authors: Maria Angela Spirache | Philippe Marrec | A. Jorge Parola | César A. T. Laia
Source: Dyes and Pigments (article, 2023-03-02)
Field: Materials Science — Materials Chemistry

Reversible thermochromic systems based on a new library of flavylium spirolactone leuco dyes The aim of this work was the design, synthesis, and characterization of new chromogenic spirolactone dyes based on a 2-phenyl-1-benzopyrylium (flavylium) backbone for further development of thermochromic smart labels. The influence of electron-donating and electron-withdrawing groups on the five synthesized dyes was studied in terms of color modification, acid-base behavior and thermochromic properties. By using UV–Vis absorption and emission spectroscopies, molar absorptivity, oscillator strength, Stokes shift, and fluorescence quantum yield were determined for each dye to evaluate the impact on color and excited state properties of the designed structures. The acid-base behavior and the ability to evolve towards leuco species was assessed by titrations with triethylamine and N,N-diisopropylethylamine in non-polar and polar aprotic solvents such as acetonitrile and octan-1-ol. In addition, the reversibility of the color was also evaluated by titrations with polar protic solvents (water and ethanol) and Lewis acids (gallic acid and iron(III) chloride). The number of equivalents of base/acid required to reach the leuco product and then to reverse the color were determined by representing the absorption maximum as a function of added base/acid in acetonitrile (water content less than 0.01-v/v). Finally, the thermochromic properties were evaluated in the presence of long-chain organic amines and water-insoluble solvents with melting points close to room temperature. The synthesized compounds can switch between two species if the appropriate conditions are used. Moreover, the tests carried out to assess their thermochromic behavior concluded that all dyes display thermochromism to some extent. The dyes that have electron-withdrawing groups attached, such as cyano, display stronger chromogenic effects useful for future applications. Chemistry ; Thermochromism ; Triethylamine ; Acetonitrile ; Photochemistry ; Titration ; Base (topology) ; Lewis acids and bases ; Molar absorptivity ; Acid–base titration ; Organic chemistry ; Catalysis Photochromic and Fluorescence Chemistry ; Polydiacetylene-based materials and applications ; Photochemistry and Electron Transfer Studies