jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nitai Chandra Adak | Sungmook Lim | Guk-Hwan Lee | Wonoh Lee
Source: Frontiers in Chemistry (review, 2024-03-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Epoxy-based multifunctional solid polymer electrolytes for structural batteries and supercapacitors. a short review The potential applications of epoxy-based solid polymer electrolytes are continually expanding because of their versatile characteristics. These characteristics include mechanical rigidity, nonvolatility, nonflammability, and electrochemical stability. However, it is worth noting that pure epoxy-based solid polymer electrolytes inherently exhibit lower ion transport capabilities when compared to traditional liquid electrolytes. Striking a balance between high mechanical integrity and superior ionic conductivity at room temperature poses a significant challenge. In light of this challenge, this review is dedicated to elucidating the fundamental concepts of epoxy-based solid polymer electrolytes. It will explore various preparation techniques, the incorporation of different nanomaterials into epoxy-based solid polymer electrolytes, and an evaluation of their multifunctional properties. This comprehensive evaluation will cover both mechanical and electrical properties with a specific focus on their potential applications in batteries and structural supercapacitors. Epoxy ; Supercapacitor ; Electrolyte ; Materials science ; Polymer ; Nanotechnology ; Nanomaterials ; Fast ion conductor ; Ionic conductivity ; Electrochemistry ; Composite material ; Chemistry ; Electrode Supercapacitor Materials and Fabrication ; Advanced Battery Materials and Technologies ; Conducting polymers and applications
Authors: Sourav Biswas | Tomoya Tanaka | Haohong Song | Masaki Ogami | Yamato Shingyouchi | Sakiat Hossian | Maho Kamiyama | Taiga Kosaka | Riki Nakatani | Yoshiki Niihori | Saikat Das | Tokuhisa Kawawaki | De‐en Jiang | Yuichi Negishi
Source: Small Science (article, 2024-11-28)
Field: Materials Science — Materials Chemistry

Highly Selective Methanol Synthesis Using Electrochemical CO<sub>2</sub> Reduction with Defect‐Engineered Cu<sub>58</sub> Nanoclusters Atomically precise copper nanoclusters (Cu NCs) exhibit significant potential as catalysts for the electrocatalytic reduction of CO<sub>2</sub>. However, the range of products achievable with these NCs has been somewhat constrained. This study presents an innovative design strategy to enhance the catalytic activity of Cu NCs by engineering their active sites. These active sites are formed here by introducing defects on cubic Cu NCs through the partial dislocation of Cu atoms at their vertices, which creates surface ligand vacancies. This dislocation further refines the internal cationic geometry by altering cuprophilic interactions, leading to distinct modifications in the edges and vertices of the cubic geometry. These unique Cu(I) atom arrangements within the cluster effectively influence product specificity during electrochemical CO<sub>2</sub> reduction. Density functional theory calculations correlate the enhanced selectivity for CH<sub>3</sub>OH in [Cu<sub>58</sub>H<sub>20</sub>(SPr)<sub>36</sub>(PPh<sub>3</sub>)<sub>7</sub>]<sup>2+</sup> (Pr = CH<sub>2</sub>CH<sub>2</sub>CH<sub>3</sub>) NC to the increased reactivity of edge Cu atoms in binding CO and CHO intermediates, compared to [Cu<sub>58</sub>H<sub>20</sub>(SPr)<sub>36</sub>(PPh<sub>3</sub>)<sub>8</sub>]<sup>2+</sup> and [Cu<sub>58</sub>H<sub>20</sub>(SEt)<sub>36</sub>(PPh<sub>3</sub>)<sub>6</sub>]<sup>2+</sup> (Et = CH<sub>2</sub>CH<sub>3</sub>) NCs. Thus, this work underscores the potential of tailored structural designs of atomically precise nanocatalysts in directing electrochemical CO<sub>2</sub> reduction toward unconventional products. Nanoclusters ; Electrochemistry ; Reactivity (psychology) ; Catalysis ; Nanomaterial-based catalyst ; Density functional theory ; Crystallography ; Selectivity ; Copper ; Cluster (spacecraft) ; Ligand (biochemistry) ; Cationic polymerization ; Chemistry ; Electrocatalyst ; Materials science ; Redox ; Nanotechnology ; Inorganic chemistry ; Electrode ; Physical chemistry ; Computational chemistry Nanocluster Synthesis and Applications ; CO2 Reduction Techniques and Catalysts ; Catalytic Processes in Materials Science
Authors: Maciej Gryszel | Donghak Byun | Bernhard Burtscher | Tobias Abrahamsson | Jan Brodský | Daniel T. Simon | Magnus Berggren | Eric Daniel Głowacki | Xenofon Strakosas | Mary J. Donahue
Source: Journal of Materials Chemistry C (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Vertical organic electrochemical transistor platforms for efficient electropolymerization of thiophene based oligomers Organic electrochemical transistors (OECTs) have emerged as promising candidates for various fields, including bioelectronics, neuromorphic computing, biosensors, and wearable electronics. OECTs operate in aqueous solutions, exhibit high amplification properties, and offer ion-to-electron signal transduction. The OECT channel consists of a conducting polymer, with PEDOT:PSS receiving the most attention to date. While PEDOT:PSS is highly conductive, and benefits from optimized protocols using secondary dopants and detergents, new p-type and n-type polymers are emerging with desirable material properties. Among these, low-oxidation potential oligomers are highly enabling for bioelectronics applications, however the polymers resulting from their polymerization lag far behind in conductivity compared with the established PEDOT:PSS. In this work we show that by careful design of the OECT geometrical characteristics, we can overcome this limitation and achieve devices that are on-par with transistors employing PEDOT:PSS. We demonstrate that the vertical architecture allows for facile electropolymerization of a family of trimers that are polymerized in very low oxidation potentials, without the need for harsh chemicals or secondary dopants. Vertical and planar OECTs are compared using various characterization methods. We show that vOECTs are superior platforms in general and propose that the vertical architecture can be expanded for the realization of OECTs for various applications. Thiophene ; Electrochemistry ; Transistor ; Materials science ; Thin-film transistor ; Nanotechnology ; Optoelectronics ; Chemistry ; Electrical engineering ; Electrode ; Organic chemistry ; Engineering ; Voltage Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Advanced Memory and Neural Computing
Authors: Fangshun Yang | Givi Kalandia | Marco Moors | Jonas Lorenz | Markus Rohdenburg | Xue‐Bin Wang | Wenjin Cao | Mhamad Aly Moussawi | Daniela Volke | Ralf Hoffmann | Jonas Warneke | Tatjana N. Parac‐Vogt | Kirill Yu. Monakhov
Source: Advanced Materials Interfaces (article, 2024-09-26)
Field: Materials Science — Materials Chemistry

Ligand Substituent Effects on the Electronic Properties of Lindqvist‐Type Polyoxometalate Multi‐Level‐Switches in the Gas Phase, Solution and on Surfaces Abstract Although the intrinsic electronic properties of polyoxometalates (POMs) can be greatly influenced by modifying them with organic substituents, their resistive switching behavior on surfaces dependent on the organic substituents remains largely unexplored. In this work, we assessed the importance of electron‐withdrawing and electron‐donating ligand substituents on the material properties of a series of hybrid Lindqvist‐type hexavanadates TBA 2 [V 6 O 13 ((OCH 2 ) 3 CCH 2 OH) 2 ] (TBA 2 V 6 ‐OH), TBA 2 [V 6 O 13 ((OCH 2 ) 3 CMe) 2 ] (TBA 2 V 6 ‐Me), TBA 2 [V 6 O 13 ((OCH 2 ) 3 CNHCOCH 2 Cl) 2 ] (TBA 2 V 6 ‐Cl), and TBA 2 [V 6 O 13 ((OCH 2 ) 3 CNHCOCH 2 ‐OOCC 10 H 15 ) 2 ] (TBA 2 V 6 ‐Ad) as potential resistive random‐access memory (ReRAM) components. Compared to their redox behavior in solution, changing the ligand substituents on surfaces results in no significant effect on the potential and, thus, no effect on the resistance steps in the current‐voltage profiles. However, while the current‐voltage characteristics do not change, the peripheral metal‐free substituents in the trisalkoxide framework of Lindqvist‐type hexavanadate molecules influence the adsorption and switching stability of these POMs on gold. This work highlights the noticeable differences between hexavanadate's redox properties in solution (which follow the trend observed in the gas phase) and hexavanadate's resistive switching properties on conducting surfaces. Importantly, their multi‐state switching behavior is not significantly altered by the different type of substituent at the periphery of the trisalkoxo ligands. Polyoxometalate ; Substituent ; Ligand (biochemistry) ; Redox ; Resistive random-access memory ; Materials science ; Adsorption ; Electrochemistry ; Polar effect ; Molecule ; Phase (matter) ; Crystallography ; Stereochemistry ; Chemistry ; Inorganic chemistry ; Physical chemistry ; Electrode ; Organic chemistry ; Receptor Polyoxometalates: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications
Authors: Lei Zhang | Zhenli Cai | Yaqi Liu | Yao Fan | Yuanbin She
Source: Frontiers in Sustainable Food Systems (article, 2024-08-21)
Field: Materials Science — Materials Chemistry

Fluorescent enhanced endogenous carbon dots derived from green tea residue for multiplex detection of heavy metal ions in food Introduction The presence of excessive heavy metal content in food poses potential risks to human health. Methods This paper presents the fabrication of a novel type of Carbon Dots (CDs) using green tea residue as a carbon source, which can be applied for simultaneous detection of Hg 2+ , Pb 2+ , Fe 3+ , and Cu2 2+ through particle swarm optimization (PSO) based optimized variable-weighted least-squares support vector machine (VWLS-SVM) model and the partial least squares discriminant analysis (PLSDA) method. Results and Discussion The utilization of PSO-VWLS-SVM model discovered and verified two fluorescence enhancement markers of CDs, namely isoquercitrin and 5-methyl furfural in green tea residues. By employing PLSDA, simultaneous qualitative and quantitative determination of these four metal ions was achieved. These CDs are capable of detecting four types of metal ions at low concentrations even when there are high concentrations of other metal ions and amino acids. More importantly, the CDs were successfully applied for the detection of Hg 2+ , Pb 2+ , Fe 3+ , and Cu 2+ in real food samples. The recovery rates of four metal ions spiked into five different matrices were found to be the range of 99.1–101.3%, while both intra-day and inter-day relative standard deviations remained below 0.5% for all samples. This study on chemometrics-assisted exploration into formation mechanisms of endogenous CDs provides theoretical guidance for enhancing their fluorescence properties and expanding their application in heavy metal detection in food. Fluorescence ; Metal ions in aqueous solution ; Multiplex ; Residue (chemistry) ; Chemistry ; Endogeny ; Metal ; Green tea ; Heavy metals ; Environmental chemistry ; Food science ; Biochemistry ; Organic chemistry ; Biology Carbon and Quantum Dots Applications ; Mercury impact and mitigation studies ; Nanocluster Synthesis and Applications
Authors: Ke Yu | Qin Nie | Qianjin Chen | Weiping Liu
Source: Nature Communications (article, 2024-08-09)
Field: Chemistry — Organic Chemistry

Manganese-catalyzed cyclopropanation of allylic alcohols with sulfones Cyclopropanes are among the most important structural units in natural products, pharmaceuticals, and agrochemicals. Herein, we report a manganese-catalyzed cyclopropanation of allylic alcohols with sulfones as carbene alternative precursors via a borrowing hydrogen strategy under mild conditions. Various allylic alcohols and arylmethyl trifluoromethyl sulfones work efficiently in this borrowing hydrogen transformation and thereby deliver the corresponding cyclopropylmethanol products in 58% to 99% yields. Importantly, a major benefit of this transformation is that the versatile free alcohol moiety is retained in the resultant products, which can undergo a wide range of downstream transformations to provide access to a series of functional molecules. Mechanistic studies support a sequential reaction mechanism that involves catalytic dehydrogenation, Michael addition, cyclization, and catalytic hydrogenation. Cyclopropanation ; Allylic rearrangement ; Manganese ; Catalysis ; Chemistry ; Organic chemistry Cyclopropane Reaction Mechanisms ; Asymmetric Hydrogenation and Catalysis ; Catalysis for Biomass Conversion
Authors: Yeqing Lu | Xue Chen | Yung Doug Suh | Xiaowang Liu
Source: FlexMat. (article, 2024-12-23)
Field: Materials Science — Materials Chemistry

Combinatorial discovery of small molecule‐doped afterglow polymer composites for anti‐counterfeiting Abstract The exploration of afterglow in small molecule‐doped polymer composites, rooted in a nuanced understanding of structure‐properties relationships, holds paramount importance for optoelectronics. However, conventional strategies face challenges in achieving high‐throughput discovery of these polymers. This study introduces a novel combinatorial approach, employing photoinitiated solvent‐free polymerization, to craft afterglow aromatic boronic acid‐doped polymer composites. The afterglow activation results from stabilizing the triplet states of doped small molecules through a synergy of chemical and physical fixation effects. Aromatic boronic acids emerge as crucial dopants, exhibiting versatility in afterglow development across the visible spectrum. Notably, the influence of functional groups and the number of non‐fused benzene rings on afterglow wavelengths is minimal, while significantly impacting afterglow lifetimes. Besides conjugation degrees, the optimal size and doping concentrations of dopants play a pivotal role in extending afterglow lifetimes. This strategy not only facilitates exploration of small molecule‐based afterglow materials but also enables the feasible fabrication of intricate, multicolor afterglow polymeric objects via a step‐polymerization strategy for anti‐counterfeiting. Afterglow ; Dopant ; Polymerization ; Polymer ; Doping ; Materials science ; Molecule ; Photochemistry ; Nanotechnology ; Chemistry ; Optoelectronics ; Composite material ; Organic chemistry ; Physics Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Polydiacetylene-based materials and applications
Authors: Zora Brough | Zhiyu Zhao | Franck Duong
Source: Biochemical Society Transactions (review, 2024-04-26)
Field: Chemistry — Spectroscopy

From bottom-up to cell surface proteomics: detergents or no detergents, that is the question Measuring the expression levels of membrane proteins (MPs) is crucial for understanding cell differentiation and tissue specificity, defining disease characteristics, identifying biomarkers, and developing therapeutics. While bottom-up proteomics addresses the need for accurately surveying the membrane proteome, the lower abundance and hydrophobic nature of MPs pose challenges in sample preparation. As MPs normally reside in the lipid bilayer, conventional extraction methods rely on detergents, introducing here a paradox - detergents prevent aggregation and facilitate protein processing, but themselves become contaminants that interfere with downstream analytical applications. Various detergent removal methods exist to mitigate this issue, including filter-aided sample preparation, SP3, suspension trapping, and membrane mimetics. This review delves into the fundamentals of each strategy, applications, merits, and limitations, providing insights into their effectiveness in MP research. Proteome ; Proteomics ; Chemistry ; Sample preparation ; Lipid bilayer ; Computational biology ; Nanotechnology ; Membrane ; Chromatography ; Computer science ; Biochemical engineering ; Biology ; Biochemistry ; Materials science ; Engineering Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Advanced Biosensing Techniques and Applications
Authors: Julieta M. Sánchez | Hèctor López‐Laguna | Eloi Parladé | Angela Di Somma | Andrea L. Livieri | Patricia Álamo | Ramón Mangues | Ugutz Unzueta | Antonio Villaverde | Esther Vázquez
Source: Advanced Science (article, 2024-03-19)
Field: Materials Science — Biomaterials

Structural Stabilization of Clinically Oriented Oligomeric Proteins During their Transit through Synthetic Secretory Amyloids Developing time-sustained drug delivery systems is a main goal in innovative medicines. Inspired by the architecture of secretory granules from the mammalian endocrine system it has generated non-toxic microscale amyloid materials through the coordination between divalent metals and poly-histidine stretches. Like their natural counterparts that keep the functionalities of the assembled protein, those synthetic structures release biologically active proteins during a slow self-disintegration process occurring in vitro and upon in vivo administration. Being these granules formed by a single pure protein species and therefore, chemically homogenous, they act as highly promising time-sustained drug delivery systems. Despite their enormous clinical potential, the nature of the clustering process and the quality of the released protein have been so far neglected issues. By using diverse polypeptide species and their protein-only oligomeric nanoscale versions as convenient models, a conformational rearrangement and a stabilization of the building blocks during their transit through the secretory granules, being the released material structurally distinguishable from the original source is proved here. This fact indicates a dynamic nature of secretory amyloids that act as conformational arrangers rather than as plain, inert protein-recruiting/protein-releasing granular depots. Chemistry ; Biochemistry ; Biophysics ; Biology Supramolecular Self-Assembly in Materials ; Protein Structure and Dynamics ; Alzheimer's disease research and treatments
Authors: Anastasiia Murmiliuk | Hiroki Iwase | Jia‐Jhen Kang | Shilpa Mohanakumar | Marie‐Sousai Appavou | Kathleen Wood | László Almásy | Adél Len | Kuno Schwärzer | Jürgen Allgaier | Martin Dulle | Thomas Gensch | Beate Förster | Kanae Ito | Hiroshi Nakagawa | Simone Wiegand | Stephan Förster | Aurel Rădulescu
Source: Journal of Colloid and Interface Science (article, 2024-03-24)
Field: Materials Science — Surfaces, Coatings and Films

Polyelectrolyte-protein synergism: pH-responsive polyelectrolyte/insulin complexes as versatile carriers for targeted protein and drug delivery The co-assembly of polyelectrolytes (PE) with proteins offers a promising approach for designing complex structures with customizable morphologies, charge distribution, and stability for targeted cargo delivery. However, the complexity of protein structure limits our ability to predict the properties of the formed nanoparticles, and our goal is to identify the key triggers of the morphological transition in protein/PE complexes and evaluate their ability to encapsulate multivalent ionic drugs. A positively charged PE can assemble with a protein at pH above isoelectric point due to the electrostatic attraction and disassemble at pH below isoelectric point due to the repulsion. The additional hydrophilic block of the polymer should stabilize the particles in solution and enable them to encapsulate a negatively charged drug in the presence of PE excess. We demonstrated that diblock copolymers, poly(ethylene oxide)-block-poly(N,N-dimethylaminoethyl methacrylate) and poly(ethylene oxide)-block-poly(N,N,N-trimethylammonioethyl methacrylate), consisting of a polycation block and a neutral hydrophilic block, reversibly co-assemble with insulin in pH range between 5 and 8. Using small-angle neutron and X-ray scattering (SANS, SAXS), we showed that insulin arrangement within formed particles is controlled by intermolecular electrostatic forces between protein molecules, and can be tuned by varying ionic strength. For the first time, we observed by fluorescence that formed protein/PE complexes with excess of positive charges exhibited potential for encapsulating and controlled release of negatively charged bivalent drugs, protoporphyrin-IX and zinc(II) protoporphyrin-IX, enabling the development of nanocarriers for combination therapies with adjustable charge, stability, internal structure, and size. Polyelectrolyte ; Drug delivery ; Chemistry ; Drug carrier ; Drug ; Targeted drug delivery ; Nanotechnology ; Pharmacology ; Materials science ; Polymer ; Medicine ; Organic chemistry Polymer Surface Interaction Studies ; Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery
Authors: Sihyeong Yi | Dahham Kim | Wansang Cho | Jung Ho Lee | Ji Hoon Kwon | Jonghoon Kim | Seung Bum Park
Source: JACS Au (article, 2024-06-10)
Field: Chemistry — Organic Chemistry

Rational Design of Pyrido[3,2-<i>b</i>]indolizine as a Tunable Fluorescent Scaffold for Fluorogenic Bioimaging Novel fluorescent scaffolds are highly demanding for a wide range of applications in biomedical investigation. To meet this demand, the pyrido[3,2-<i>b</i>]indolizine scaffold was designed as a versatile organic fluorophore. With the aid of computational modeling, fluorophores offering tunable emission colors (blue to red) were constructed. Notably, constructed fluorophores absorb lights in the visible range (>400 nm) despite their small sizes (<300 g/mol). Among the fluorophores was discovered a highly fluorogenic fluorophore with a unique turn-on property, <b>1</b>, and it was developed into a washing-free bioprobe for visualizing cellular lipid droplets in living cells. Furthermore, motivated by the core's compact size and structural analogy to indole, unprecedented tryptophan-analogous fluorogenic unnatural amino acids were constructed and incorporated into fluorogenic peptide probes for monitoring peptide-protein interactions. Indolizine ; Fluorescence ; Scaffold ; Combinatorial chemistry ; Rational design ; Chemistry ; Nanotechnology ; Stereochemistry ; Materials science ; Computer science ; Physics ; Database Synthesis and Reactivity of Heterocycles ; Cyclopropane Reaction Mechanisms ; Synthesis and Characterization of Pyrroles