jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jialuo Li | Shuai Yuan | Jun‐Sheng Qin | Jiandong Pang | Peng Zhang | Yingmu Zhang | Yanyan Huang | Hannah F. Drake | Wenshe Ray Liu | Hong‐Cai Zhou
Source: Angewandte Chemie (article, 2020-03-16)
Field: Chemistry — Inorganic Chemistry

Stepwise Assembly of Turn‐on Fluorescence Sensors in Multicomponent Metal–Organic Frameworks for in Vitro Cyanide Detection Abstract The controlled synthesis of multicomponent metal–organic frameworks (MOFs) allows for the precise placement of multiple cooperative functional groups within a framework, leading to emergent synergistic effects. Herein, we demonstrate that turn‐on fluorescence sensors can be assembled by combining a fluorophore and a recognition moiety within a complex cavity of a multicomponent MOF. An anthracene‐based fluorescent linker and a hemicyanine‐containing CN − ‐responsive linker were sequentially installed into the lattice of PCN‐700. The selective binding of CN − to hemicyanine inhibited the energy transfer between the two moieties, resulting in a fluorescence turn‐on effect. Taking advantage of the high tunability of the MOF platform, the ratio between anthracene and the hemicyanine moiety could be fine‐tuned in order to maximize the sensitivity of the overall framework. The optimized MOF‐sensor had a CN − ‐detection limit of 0.05 μ m , which is much lower than traditional CN − fluorescent sensors (about 0.2 μ m ). Moiety ; Linker ; Anthracene ; Fluorescence ; Metal-organic framework ; Fluorophore ; Chemistry ; Förster resonance energy transfer ; Cyanide ; Combinatorial chemistry ; Turn (biochemistry) ; Photochemistry ; Stereochemistry ; Organic chemistry ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Molecular Sensors and Ion Detection ; Advanced Nanomaterials in Catalysis
Authors: Paloma Arranz‐Mascarós | M.L. Godino-Salido | Rafael López-Garzón | Celeste García-Gallarín | Ignacio Chamorro‐Mena | F. Javier López‐Garzón | Esperanza Fernández-García | M.D. Gutiérrez-Valero
Source: ACS Omega (article, 2020-07-22)
Field: Materials Science — Materials Chemistry

Non-covalent Functionalization of Graphene to Tune Its Band Gap and Stabilize Metal Nanoparticles on Its Surface Controlling graphene conductivity is crucial for its potential applications. With this focus, this paper shows the effect of the non-covalent bonding of a pyrimidine derivative (HIS) on the electronic properties of graphene (G). Several G-HIS hybrids are prepared through mild treatments keeping unaltered the structures of both G and HIS. The attachment of HIS to G occurs by π-π stacking of the HIS-aromatic residue with the G surface. This partially blocks the p <i><sub>z</sub></i> electrons of G, giving rise to the splitting of both the valence and conduction bands. Moreover, the width of the splitting is directly related to the HIS content. This fact allows the fine-tuning of the band gap of G-HIS hybrids. Furthermore, HIS keeps its metal-complexing ability in the G-HIS hybrids. Taking advantage of this, a G-HIS-Cu(0) composite was prepared by H<sub>2</sub> plasma reduction of a precursor of the G-HIS-Cu(II) type. G-HIS-Cu(0) contains Cu(0) clusters stabilized on the G surface due to interactions with the COO<sup>-</sup> functions of HIS. In an analogous hybrid, G-HIS-Au(0), the Au(0) NPs are also stabilized by COO<sup>-</sup> functions. This material, consisting of the coupling of Au(0) NPs and G-HIS, photocatalyzed water reduction under visible light radiation producing 12.5 μmol·g<sup>-1</sup>·h<sup>-1</sup>of hydrogen. Graphene ; Covalent bond ; Stacking ; Metal ; Materials science ; Surface modification ; Band gap ; Valence (chemistry) ; Nanotechnology ; Chemistry ; Optoelectronics ; Physical chemistry ; Organic chemistry Graphene research and applications ; Advanced Photocatalysis Techniques ; Graphene and Nanomaterials Applications
Authors: Leighton O. Jones | Martín A. Mosquera | Mark A. Ratner | George C. Schatz
Source: ACS Applied Materials & Interfaces (article, 2020-01-03)
Field: Materials Science — Materials Chemistry

Control of Charge Carriers and Band Structure in 2D Monolayer Molybdenum Disulfide via Covalent Functionalization The fine-tuning of electro-optic properties is critical for high-performing technologies. This is now obtainable with advanced nanostructures, particularly two-dimensional (2D) monolayer materials such as molybdenum disulfide (MoS<sub>2</sub>). Using spin-polarized periodic density functional theory (DFT), we find that the direct band gap (<i>K</i> → <i>K</i>') can be chemically tuned with covalently bound functional groups. With an electron-withdrawing group such as fluorine, we observe one occupied α and one unoccupied β band, which correspond to the addition of an α electron and a β hole, confirmed with the spin difference (<i>Q</i><sub>α</sub> - <i>Q</i><sub>β</sub>) being 1. By increasing the electron-donating behavior with the replacement of F by H and then by Me, the occupied (valence) α band shifts upward in energy relative to the Fermi energy, and the unoccupied β shifts down until they are in contact with the Fermi energy. In addition, both α and β unoccupied (conduction) bands of the MoS<sub>2</sub> shift down, relative to the Fermi energy, until they are in contact with the Fermi and the system can be described as metallic. The MoS<sub>2</sub> + F system is thus a small gap semiconductor (0.96 eV), and the MoS<sub>2</sub> + H and MoS<sub>2</sub> + Me gaps are 0.21 and 0 eV (metallic), respectively. Spin density calculations illustrate the semilocalized nature of the α spin; however, this is not formed from the radical of the functionalizing group, but rather the resulting unpaired electron is on the sulfur atom after radical abstraction to form a covalent bond with the group. Five- and six-membered heterocycles were studied and further confirm these observations. Distinct from typical functional groups such as phenyl, we find evidence for the covalent bonding of pyrrole, cyclopentadiene, and pyridine to a sulfur atom of the MoS<sub>2</sub> surface, from the new α and β bands in the band structure. The charge carrier nature of the 2D monolayers of functionalized MoS<sub>2</sub> can be further tuned with charge doping (hole or electron), such that even the metallic systems can be returned to semiconducting states, but importantly as p-type conductors. Semilocalization of the spin states and control of the band gap can be generalized to other covalently functionalized 2D materials and appears suitable for electronic applications, such as photoluminescence devices, contact-free transistors, and quantum communication. Molybdenum disulfide ; Surface modification ; Materials science ; Monolayer ; Covalent bond ; Disulfide bond ; Charge (physics) ; Molybdenum ; Nanotechnology ; Charge carrier ; Self-assembled monolayer ; Chemical engineering ; Optoelectronics ; Organic chemistry ; Chemistry 2D Materials and Applications ; Perovskite Materials and Applications ; Graphene research and applications
Authors: Shu Ying | Zhong Ma | Zhou Zhou | Ruowen Tao | Ke Yan | Xin Ming | Yun Li | Lijia Pan | Yi Shi
Source: IEEE Access (review, 2020-01-01)
Field: Materials Science — Polymers and Plastics

Device Based on Polymer Schottky Junctions and Their Applications: A Review Polymeric materials are emerging as an important component for organic electronics due to their combined features of soft materials and organic semiconductor/conductor. Different from solid-state bulk materials, polymers are synthesized and modulated with a facile method, with their controllable properties. Therefore, polymers have been recently used in Schottky junction devices that demonstrate features of enhanced performances, flexibility, and easy processing. Polymer-based Schottky junctions have drawn a lot of interest in several prototype applications like photodetectors, energy harvesters, and gas sensors. With this review, we summarize recent progress in synthesis and modulation of polymers and fabrication of polymer-based Schottky junction devices. Designs of applications of sensory devices like photodetectors, energy harvesters, and gas sensors are also presented. Materials science ; Schottky diode ; Schottky barrier ; Photodetector ; Polymer ; Optoelectronics ; Flexibility (engineering) ; Fabrication ; Electronics ; Nanotechnology ; Organic semiconductor ; Electrical engineering Conducting polymers and applications ; Gas Sensing Nanomaterials and Sensors ; Advanced Sensor and Energy Harvesting Materials
Authors: Zaira Martín‐Moldes | Diego López Barreiro | Markus J. Buehler | David L. Kaplan
Source: Acta Biomaterialia (article, 2020-11-05)
Field: Materials Science — Biomaterials

Effect of the silica nanoparticle size on the osteoinduction of biomineralized silk-silica nanocomposites Biomineralization ; Materials science ; Nanoparticle ; RUNX2 ; SILK ; Bone sialoprotein ; Nanocomposite ; Nanotechnology ; Biomaterial ; Biophysics ; Chemical engineering ; Osteoblast ; Chemistry ; Composite material ; Biochemistry ; Alkaline phosphatase ; Osteocalcin ; Biology Silk-based biomaterials and applications ; Diatoms and Algae Research ; Bone Tissue Engineering Materials
Authors: Qianchun Zhang | Junyi Liang | Li Zhao | Yan Wang | Yu‐Guo Zheng | Yun Wu | Li Jiang
Source: Frontiers in Chemistry (article, 2020-07-31)
Field: Materials Science — Materials Chemistry

Synthesis of Novel Fluorescent Carbon Quantum Dots From Rosa roxburghii for Rapid and Highly Selective Detection of o-nitrophenol and Cellular Imaging A novel carbon quantum dots (CQDs) were successfully synthesized by one-step hydrothermal reaction using <i>Rosa roxburghii</i> as a biomass-based precursor. The CQDs have an average size of 2.5 nm and a narrow size distribution. They display strong blue fluorescence with a quantum yield of 24.8% and good biocompatibility. Notably, these CQDs were capable of detecting trace o-nitrophenol in surface water and sewage with high sensitivity and specificity. The linear range is 0.08-40 μmol/L, and the limit of detection is 15.2 nmol/L. Furthermore, this CQDs was successfully applied for o-nitrophenol analysis in river water and sewage samples. Additionally, Hep3B cells, a human hepatocellular carcinoma cell line, can be easily imaged with high resolution using the as-prepared CQDs as nanoprobes. These results reveal that the as-prepared CQDs have potential applications for detecting o-nitrophenol and cell imaging. Detection limit ; Fluorescence ; Quantum yield ; Biocompatibility ; Quantum dot ; Carbon fibers ; Chemistry ; Materials science ; Hepatic carcinoma ; Nanotechnology ; Chromatography ; Composite number ; In vitro ; Optics ; Organic chemistry ; Biochemistry Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Anatoliy A. Vereshchagin | Daniil A. Lukyanov | Ilia Kulikov | Naitik A. Panjwani | Е. А. Алексеева | Jan Behrends | Oleg V. Levin
Source: Batteries & Supercaps (article, 2020-11-17)
Field: Materials Science — Polymers and Plastics

The Fast and the Capacious: A [Ni(Salen)]‐TEMPO Redox‐Conducting Polymer for Organic Batteries Abstract Redox‐active nitroxyl‐containing polymers are promising candidates as possible replacements for inorganic based energy‐storage materials, due to their high energy density and fast redox kinetics. One challenge towards the implementation of such a system is the insufficient electrical conductivity, impeding the charge collection even with highly conductive additives. Herein, the first implementation of a polymeric bis(salicylideniminato) nickel (NiSalen) conductive backbone as an active charge‐collecting wire is reported. NiSalen simultaneously serves as a charge collector for nitroxyl pendants and supports the redox capacity of the material. This novel polymer exhibits a specific capacity of up to 91.5 mAh g −1 , retaining 87 % of its theoretical capacity at 800 C and more than 30 % at as high as 3000 C (66 % capacity retention after 2000 cycles). The properties of the new material upon operation was studied by means of operando electrochemical methods, UV‐Vis, and electron paramagnetic resonance spectroscopy. Redox ; Conductive polymer ; Polymer ; Nitroxyl ; Materials science ; Electrochemistry ; Electrical conductor ; Electron paramagnetic resonance ; Chemical engineering ; Polymer chemistry ; Chemistry ; Inorganic chemistry ; Electrode ; Organic chemistry ; Physical chemistry ; Nuclear magnetic resonance Conducting polymers and applications ; Perovskite Materials and Applications ; Advanced battery technologies research
Authors: Mona Sunaydih Alsaeedi | Bandar A. Babgi | Mostafa A. Hussien | Magda H. Abdellattif | Mark G. Humphrey
Source: Molecules (article, 2020-02-25)
Field: Chemistry — Organic Chemistry

DNA-Binding and Anticancer Activity of Binuclear Gold(I) Alkynyl Complexes with a Phenanthrenyl Bridging Ligand 3,6-Diethynyl-9,10-diethoxyphenanthrene (4) was synthesized from phenanthrene and employed in the synthesis of the binuclear gold(I) alkynyl complexes (R3P)Au(C≡C–3-[C14H6-9,10-diethoxy]-6–C≡C)Au(PR3) (R = Ph (5a), Cy (5b)). The diyne 4 and complexes 5a and 5b were characterized by NMR spectroscopy, mass spectrometry, and elemental analysis. UV-Vis spectroscopy studies of the metal complexes and precursor diyne show strong π → π* transitions in the near UV region that red shift by ca. 50 nm upon coordination at the gold centers. The emission spectrum of 4 shows an intense fluorescence band centered at 420 nm which red shifts, slightly upon coordination of 4 to gold. Binding studies of 4, 5a, and 5b against calf thymus DNA were carried out, revealing that 4, 5a, and 5b have ≥40% stronger binding affinities than the commonly used intercalating agent ethidium bromide. The molecular docking scores of 4, 5a, and 5b with B-DNA suggest a similar trend in behavior to that observed in the DNA-binding study. Unlike the ligand 4, promising anticancer properties for 5a and 5b were observed against several cell lines; the DNA binding capability of the precursor alkyne was maintained, and its anticancer efficacy enhanced by the gold centers. Such phenanthrenyl complexes could be promising candidates in certain biological applications because the two components (phenanthrenyl bridge and metal centers) can be altered independently to improve the targeting of the complex, as well as the biological and physicochemical properties. Ethidium bromide ; Chemistry ; Intercalation (chemistry) ; DNA ; Ligand (biochemistry) ; Alkyne ; Stereochemistry ; Fluorescence ; Metal ; Affinities ; Bridging ligand ; Nuclear magnetic resonance spectroscopy ; Combinatorial chemistry ; Crystallography ; Inorganic chemistry ; Organic chemistry ; Biochemistry Catalytic Alkyne Reactions ; Metal complexes synthesis and properties ; Ferrocene Chemistry and Applications
Authors: Alexey A. Akulov | Михаил В. Вараксин | Pieter Mampuys | Valery N. Charushin | Олег Н. Чупахин | Bert U. W. Maes
Source: Organic & Biomolecular Chemistry (review, 2020-09-11)
Field: Chemistry — Organic Chemistry

C(sp<sup>2</sup>)–H functionalization in non-aromatic azomethine-based heterocycles Direct C(sp2)-H functionalization of the endocyclic azomethine and aldonitrone moieties in non-aromatic azaheterocycles has established itself as a promising methodology over the last decade. Transition metal-catalyzed cross-coupling reactions, α-metalation-electrophile quenching protocols, and (metal-free) nucleophilic substitution of hydrogen reactions (SNH) are the major routes applied on cyclic imines and their derivatives. In this overview, we show the tangible progress made in this area during the period from 2008 to 2020. Surface modification ; Aldimine ; Chemistry ; Combinatorial chemistry ; Organic chemistry ; Catalysis Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Oxidative Organic Chemistry Reactions
Authors: Lucie Goibier | Christophe Pillement | Julien Monteil | Chrystel Faure | Fernando Leal‐Calderon
Source: Colloids and Surfaces A Physicochemical and Engineering Aspects (article, 2020-01-21)
Field: Chemistry — Organic Chemistry

Preparation of multiple water-in-oil-in-water emulsions without any added oil-soluble surfactant Pulmonary surfactant ; Water in oil ; Emulsion ; Chemistry ; Water soluble ; Chemical engineering ; Chromatography ; Organic chemistry ; Biochemistry ; Engineering Surfactants and Colloidal Systems ; Pickering emulsions and particle stabilization ; Proteins in Food Systems
Authors: Dušica Maysinger | Evan Rizzel Gran | Franck Bertorelle | Hussein Fakhouri | Rodolphe Antoine | Esha Kaul | Dana M. Samhadaneh | Ursula Stochaj
Source: Theranostics (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Gold nanoclusters elicit homeostatic perturbations in glioblastoma cells and adaptive changes of lysosomes Unique physicochemical features place gold nanoclusters at the forefront of nanotechnology for biological and biomedical applications. To date, information on the interactions of gold nanoclusters with biological macromolecules is limited and restricts their use in living cells. <b>Methods</b>: Our multidisciplinary study begins to fill the current knowledge gap by focusing on lysosomes and associated biological pathways in U251N human glioblastoma cells. We concentrated on lysosomes, because they are the intracellular destination for many nanoparticles, regulate cellular homeostasis and control cell survival. <b>Results</b>: Quantitative data presented here show that gold nanoclusters (with 15 and 25 gold atoms), surface-modified with glutathione or PEG, did not diminish cell viability at concentrations ≤1 µM. However, even at sublethal concentrations, gold nanoclusters modulated the abundance, positioning, pH and enzymatic activities of lysosomes. Gold nanoclusters also affected other aspects of cellular homeostasis. Specifically, they stimulated the transient nuclear accumulation of TFEB and Nrf2, transcription factors that promote lysosome biogenesis and stress responses. Moreover, gold nanoclusters also altered the formation of protein aggregates in the cytoplasm. The cellular responses elicited by gold nanoclusters were largely reversible within a 24-hour period. <b>Conclusions</b>: Taken together, this study explores the subcellular and molecular effects induced by gold nanoclusters and shows their effectiveness to regulate lysosome biology. Our results indicate that gold nanoclusters cause homeostatic perturbations without marked cell loss. Notably, cells adapt to the challenge inflicted by gold nanoclusters. These new insights provide a framework for the further development of gold nanocluster-based applications in biological sciences. Nanoclusters ; Glioblastoma ; Homeostasis ; Cell biology ; Chemistry ; Cancer research ; Neuroscience ; Biology ; Nanotechnology ; Materials science Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Alzheimer's disease research and treatments
Authors: Vera Truttmann | Christopher Herzig | Ivonne Illes | Andreas Limbeck | Ernst Pittenauer | Michael Stöger‐Pollach | Günter Allmaier | Thomas Bürgi | Noelia Barrabés | Günther Rupprechter
Source: Nanoscale (article, 2020-01-01)
Field: Materials Science — Materials Chemistry

Ligand engineering of immobilized nanoclusters on surfaces: ligand exchange reactions with supported Au<sub>11</sub>(PPh<sub>3</sub>)<sub>7</sub>Br<sub>3</sub> The properties of gold nanoclusters, apart from being size-dependent, are strongly related to the nature of the protecting ligand. Ligand exchange on Au nanoclusters has been proven to be a powerful tool for tuning their properties, but has so far been limited to dissolved clusters in solution. By supporting the clusters previously functionalized in solution, it is uncertain that the functionality is still accessible once the cluster is on the surface. This may be overcome by introducing the desired functionality by ligand exchange after the cluster deposition on the support material. We herein report the first successful ligand exchange on supported (immobilized) Au11 nanoclusters. Dropcast films of Au11(PPh3)7Br3 on planar oxide surfaces were shown to react with thiol ligands, resulting in clusters with a mixed ligand shell, with both phosphines and thiolates being present. Laser ablation inductively coupled plasma mass spectrometry and infrared spectroscopy confirmed that the exchange just takes place on the cluster dropcast. Contrary to systems in solution, the size of the clusters did not increase during ligand exchange. Different structures/compounds were formed depending on the nature of the incoming ligand. The feasibility to extend ligand engineering to supported nanoclusters is proven and it may allow controlled nanocluster functionalization. Nanoclusters ; Ligand (biochemistry) ; Materials science ; Chemistry ; Chemical engineering ; Combinatorial chemistry ; Nanotechnology ; Crystallography ; Engineering Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Dandan Lin | Tan Liu | Qingqing Yuan | Hong-Kun Yang | Hongyang Ma | Shaowei Shi | Dong Wang | Thomas P. Russell
Source: ACS Applied Materials & Interfaces (article, 2020-11-24)
Field: Materials Science — Biomaterials

Stabilizing Aqueous Three-Dimensional Printed Constructs Using Chitosan-Cellulose Nanocrystal Assemblies The assembly and binding of nanoparticles at the interfaces of aqueous two-phase systems enable the three-dimensional (3D) printing of all-aqueous naturally occurring materials. When a dispersion of cellulose nanocrystals (CNCs) in an aqueous solution of polyethylene glycol (PEG) is brought into contact with chitosan dissolved in an aqueous solution of dextran, the CNCs and chitosan diffuse to the interface between the two immiscible aqueous solutions, electrostatically interact, and form a solid, membranous layer sufficiently rapidly to 3D print tubules of one liquid in the other. The diameter, length, spatial arrangement, and stability of the printed tubules can be broadly controlled. Adsorption and directional diffusion of ionic species across the membranous layer make heavy metal ion removal possible. The results present a platform for fabricating and developing all-aqueous compartmentalized systems where function can be independently coupled to the inherent functionality of the nanoparticles or ligands. Aqueous solution ; Materials science ; Chitosan ; Chemical engineering ; Polyethylene glycol ; Adsorption ; Nanoparticle ; Nanocrystal ; Cellulose ; Ionic bonding ; Dispersion (optics) ; PEG ratio ; Nanotechnology ; Ion ; Organic chemistry ; Chemistry Advanced Cellulose Research Studies ; Pickering emulsions and particle stabilization ; Nanomaterials for catalytic reactions