jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Anne Lehmann | Alexander Scholte | Marko Prehm | Feng Liu | Xiangbing Zeng | Goran Ungar | Carsten Tschierske
Source: Advanced Functional Materials (article, 2018-10-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Soft Rectangular Sub‐5 nm Tiling Patterns by Liquid Crystalline Self‐Assembly of T‐Shaped Bolapolyphiles Abstract Square and other rectangular nanoscale tiling patterns are of contemporary interest for soft lithography. Though soft square patterns on a ≈40 nm length scale can be achieved with block copolymers, even smaller tiling patterns below 5 nm can be expected for liquid crystalline phases of small molecules. However, these usually form lamellar and hexagonal morphologies and thus the challenge is to specifically design liquid crystal (LC) phases forming square and rectangular structures, being compatible with industrial standards. Here, two distinct types of liquid crystalline rectangular tiling patterns are reported occurring in a series of T‐shaped p ‐terphenyl‐based bolapolyphiles. By directed side chain engineering sub‐5 nm sized quadrangular honeycombs with rhombic ( c 2 mm ), square ( p 4 mm ), and rectangular ( p 2 mm ) shapes of the cells are formed by spontaneous self‐assembly. The rectangular honeycomb with p 2 mm lattice represents a new mode of LC self‐assembly in polygonal honeycombs. In addition, pentagonal and hexagonal tiling motifs can be obtained by molecular fine tuning. Materials science ; Hexagonal tiling ; Square tiling ; Liquid crystal ; Square (algebra) ; Self-assembly ; Lamellar structure ; Hexagonal crystal system ; Nanoscopic scale ; Lithography ; Crystallography ; Square lattice ; Penrose tiling ; Nanotechnology ; Quasicrystal ; Geometry ; Condensed matter physics ; Composite material ; Grid ; Optoelectronics ; Physics Liquid Crystal Research Advancements ; Block Copolymer Self-Assembly ; Advanced Materials and Mechanics
Authors: Sergey Taskaev | Vladimir Khovaylo | D. Karpenkov | Iliya Radulov | Maxim Ulyanov | D. Bataev | A. A. D’yakonov | Д. В. Гундеров | Konstantin Skokov | Oliver Gutfleisch
Source: Journal of Alloys and Compounds (article, 2018-04-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plastically deformed Gd-X (X = Y, In, Zr, Ga, B) solid solutions for magnetocaloric regenerator of parallel plate geometry Magnetic refrigeration ; Materials science ; Curie temperature ; Regenerative heat exchanger ; Heat exchanger ; Phase (matter) ; Intermetallic ; Ferromagnetism ; Composite material ; Condensed matter physics ; Thermodynamics ; Magnetic field ; Magnetization ; Alloy ; Chemistry Magnetic and transport properties of perovskites and related materials ; Shape Memory Alloy Transformations ; Ferroelectric and Piezoelectric Materials
Authors: Edward Loukopoulos | Alaa Abdul‐Sada | Gizella Csire | Csilla Kállay | Adam Brookfield | Graham J. Tizzard | Simon J. Coles | Ioannis N. Lykakis | George E. Κostakis
Source: Dalton Transactions (article, 2018-01-01)
Field: Chemistry — Organic Chemistry

Copper(<scp>ii</scp>)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study This diagnostic study aims to shed light on the catalytic activity of a library of Cu(ii) based coordination compounds with benzotriazole-based ligands. We report herein the synthesis and characterization of five new coordination compounds formulated as [Cu<sup>II</sup>(L<sup>4</sup>)(MeCN)<sub>2</sub>(CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>] (1), [Cu<sup>II</sup>(L<sup>5</sup>)<sub>2</sub>(CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>] (2), [Cu<sup>II</sup>(L<sup>6</sup>)<sub>2</sub>(MeCN)(CF<sub>3</sub>SO<sub>3</sub>)]·(CF<sub>3</sub>SO<sub>3</sub>) (3), [Cu<sup>II</sup>(L<sup>6</sup>)<sub>2</sub>(H<sub>2</sub>O)(CF<sub>3</sub>SO<sub>3</sub>)]·(CF<sub>3</sub>SO<sub>3</sub>)·2(Me<sub>2</sub>CO) (4), and [Cu(L<sup>1</sup>)<sub>2</sub>(L<sup>1'</sup>)<sub>2</sub>(CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>]<sub>2</sub>·4(CF<sub>3</sub>SO<sub>3</sub>)·8(Me<sub>2</sub>CO) (5), derived from similar nitrogen-based ligands. The homogeneous catalytic activity of these compounds along with our previously reported coordination compounds (6-13), derived from similar ligands, is tested against the well-known Cu(i)-catalysed azide-alkyne cycloaddition reaction. The optimal catalyst [Cu<sup>II</sup>(L<sup>1</sup>)<sub>2</sub>(CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>] (10) activates the reaction to afford 1,4-disubstituted 1,2,3-triazoles with yields up to 98% and without requiring a reducing agent. Various control experiments are performed to optimize the method and examine parameters such as ligand variation, metal coordination geometry and environment, in order to elucidate the behaviour of the catalytic system. Benzotriazole ; Coordination complex ; Copper ; Reactivity (psychology) ; Catalysis ; Chemistry ; Click chemistry ; Combinatorial chemistry ; Organic chemistry ; Metal Click Chemistry and Applications ; Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and biological activity
Authors: Gabriel Brunet | Milad Hamwi | Maykon A. Lemes | Bulat Gabidullin | Muralee Murugesu
Source: Communications Chemistry (article, 2018-11-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A tunable lanthanide cubane platform incorporating air-stable radical ligands for enhanced magnetic communication Abstract The unique properties of polynuclear cluster-aggregates have long been staples in the molecular magnetism community. The initial success observed in high nuclearity transition metal complexes for generating exciting magnetic behaviors however, has not yet fully been extended to lanthanide-based clusters. This is in part due to the challenges related to promoting non-negligible magnetic interactions between two lanthanide ions. One promising route towards improving magnetic communication involves the incorporation of radical species. Here, we describe the preparation of tetranuclear [Dy 4 ( μ 3 -OH) 4 ] 8+ core structures that allow the incorporation of air-stable radical ligands. This combination paves the way for magnetically relevant lanthanide cubane cluster-aggregates capable of strong magnetic communication and improved spin-reversal barriers. Moreover, we show that the addition of electron donating groups lead to non-negligible antiferromagnetic coupling between the Dy III centers and the BPyTz •− ligands, while also simultaneously improving the slow magnetic relaxation dynamics in the absence of an applied field. Lanthanide ; Cubane ; Magnetism ; Antiferromagnetism ; Cluster (spacecraft) ; Inductive coupling ; Magnetic relaxation ; Relaxation (psychology) ; Chemistry ; Chemical physics ; Radical ; Materials science ; Magnetic field ; Crystallography ; Photochemistry ; Ion ; Condensed matter physics ; Crystal structure ; Physics ; Organic chemistry ; Computer science Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Organic and Molecular Conductors Research
Authors: Cristina C. Jiménez | Alejandro Enríquez‐Cabrera | Oscar González‐Antonio | Javier Ordóñez-Hernández | Pascal G. Lacroix | Pablo Labra‐Vázquez | Norberto Farfán | Rosa Santillán
Source: Inorganics (article, 2018-12-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

State of the Art of Boron and Tin Complexes in Second- and Third-Order Nonlinear Optics § Boron and tin complexes have been a versatile and very interesting scaffold for the design of nonlinear optical (NLO) chromophores. In this paper we present a wide range of reports since the 1990s to date, which include second-order (e.g., second harmonic generation) and third-order (e.g., two-photon absorption) NLO properties. After a short introduction on the origin of the NLO response in molecules, the different features associated with the introduction of these inorganic motifs in the organic-based NLO materials are discussed: Their effect on the accepting/donating capabilities of the substituents, on the efficiency of the π-conjugated linkage, and on the topology of the chromophores which can be tuned from the first generation of “push-pull” chromophores to more sophisticated two- or three-dimensional architectures. Chromophore ; Nonlinear optics ; Boron ; Conjugated system ; Second-harmonic generation ; Materials science ; Nonlinear optical ; Molecule ; Absorption (acoustics) ; Tin ; Two-photon absorption ; Linkage (software) ; Nanotechnology ; Optoelectronics ; Topology (electrical circuits) ; Nonlinear system ; Photochemistry ; Chemical physics ; Chemistry ; Optics ; Physics ; Polymer ; Organic chemistry ; Quantum mechanics ; Engineering Nonlinear Optical Materials Research ; Luminescence and Fluorescent Materials ; Crystal structures of chemical compounds
Authors: Yu-Chieh Huang | Maxim B. Gindele | Jennifer Knaus | Ashit Rao | Denis Gebauer
Source: CrystEngComm (article, 2018-01-01)
Field: Materials Science — Biomaterials

On mechanisms of mesocrystal formation: magnesium ions and water environments regulate the crystallization of amorphous minerals Elucidating the emergence of crystalline superstructures from amorphous precursors, hydration environments and ionic constituents can guide transformation and structuration reactions towards distinct micro- and nano-structures. Crystallization ; Amorphous solid ; Ionic bonding ; Magnesium ; Ion ; Chemical engineering ; Transformation (genetics) ; Materials science ; Chemistry ; Nanotechnology ; Crystallography ; Metallurgy ; Organic chemistry Calcium Carbonate Crystallization and Inhibition ; Mineralogy and Gemology Studies ; Clay minerals and soil interactions
Authors: Suneel Kumar Srivastava | Yogendra Kumar Mishra
Source: Preprints.org (preprint, 2018-09-24)
Field: Materials Science — Polymers and Plastics

Hybrid Nanocarbons Reinforced Rubber Nanocomposites: Detailed insights about Mechanical, Dynamical Mechanical Properties, Payne and Mullin Effects The reinforcing ability of the fillers results in significant improvements in properties of polymer matrix at extremely low filler loadings compared to conventional fillers. In view of this, present review article describes the different methods used in preparation of different rubber nanocomposites reinforced with nanodimensional individual carbonaceous fillers, such as graphene, expanded graphite, single walled carbon nanotubes, multiwalled carbon nanotubes and graphite oxide, graphene oxide and hybrid fillers consisting combination of individual fillers. This is followed by review of mechanical properties (tensile strength, elongation at break, Young modulus, and fracture toughness) and dynamic mechanical properties (glass transition temperature, crystallization temperature, melting point) of these rubber nanocomposites. Finally, Payne and Mullin Effects have also been reviewed in rubber filled with different carbon based nanofillers. Materials science ; Composite material ; Nanocomposite ; Natural rubber ; Carbon nanotube ; Graphene ; Glass transition ; Graphite ; Ultimate tensile strength ; Toughness ; Modulus ; Filler (materials) ; Elastomer ; Oxide ; Graphite oxide ; Dynamic mechanical analysis ; Polymer ; Nanotechnology Polymer Nanocomposites and Properties ; Carbon Nanotubes in Composites ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Krisztina Nagy | Orsolya Láng | Júlia Láng | Katalin Perczel-Kovách | Szabolcs Gyulai-Gaál | Kristóf Kádár | László Kőhidai | Gábor Varga
Source: Interventional Medicine and Applied Science (article, 2018-07-25)
Field: Materials Science — Biomaterials

A novel hydrogel scaffold for periodontal ligament stem cells Periodontal ligament stem cells (PDLSCs) possess extensive regeneration potential. However, their therapeutic application demands a scaffold with appropriate properties. HydroMatrix (HydM) is a novel injectable peptide nanofiber hydrogel developed recently for cell culture. Our aim was to test whether HydM would be a suitable scaffold for proliferation and osteogenic differentiation of PDLSCs. PDLSCs were seeded on non-coated or HydM-coated surfaces. Both real-time impedance analysis and cell viability assay documented cell growth on HydM. PDLSCs showed healthy, fibroblast-like morphology on the hydrogel. After a 3-week-long culture in osteogenic medium, mineralization was much more intense in HydM cultures compared to control. Alkaline phosphatase activity of the cells grown on the gels reached the non-coated control levels. Our data provided evidence that PDLSCs can adhere, survive, migrate, and proliferate on HydM and this gel also supports their osteogenic differentiation. We first applied impedimetry for dental stem cells cultured on a scaffold. HydM is ideal for <i>in vitro</i> studies of PDLSCs. It may also serve not only as a reference material but also in the future as a promising biocompatible scaffold for preclinical studies. Periodontal ligament stem cells ; Scaffold ; Alkaline phosphatase ; Periodontal fiber ; Stem cell ; Cell biology ; Regeneration (biology) ; Biomedical engineering ; Cell growth ; In vitro ; Viability assay ; Medicine ; Dentistry ; Chemistry ; Biology ; Biochemistry ; Enzyme Supramolecular Self-Assembly in Materials ; Graphene and Nanomaterials Applications ; Bone Tissue Engineering Materials
Authors: Kuduva R. Vignesh | Stuart K. Langley | Christopher J. Gartshore | Ivana Borilović | Craig M. Forsyth | Gopalan Rajaraman | Keith S. Murray
Source: Dalton Transactions (article, 2018-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Rationalizing the sign and magnitude of the magnetic coupling and anisotropy in dinuclear manganese(<scp>iii</scp>) complexes We have synthesised twelve manganese(iii) dinuclear complexes, 1-12, in order to understand the origin of magnetic exchange (J) between the metal centres and the magnetic anisotropy (D) of each metal ion using a combined experimental and theoretical approach. All twelve complexes contain the same bridging ligand environment of one μ-oxo and two μ-carboxylato, that helped us to probe how the structural parameters, such as bond distance, bond angle and especially Jahn-Teller dihedral angle affect the magnetic behaviour. Among the twelve complexes, we found ferromagnetic coupling for five and antiferromagnetic coupling for seven. DFT computed the J and ab initio methods computed the D parameter, and are in general agreement with the experimentally determined values. The dihedral angle between the two Jahn-Teller axes of the constituent MnIII ions are found to play a key role in determining the sign of the magnetic coupling. Magneto-structural correlations are developed by varying the Mn-O distance and the Mn-O-Mn angle to understand how the magnetic coupling changes upon these structural changes. Among the developed correlations, the Mn-O distance is found to be the most sensitive parameter that switches the sign of the magnetic coupling from negative to positive. The single-ion zero-field splitting of the MnIII centres is found to be negative for complexes 1-11 and positive for complex 12. However, the zero-field splitting of the S = 4 state for the ferromagnetic coupled dimers is found to be positive, revealing a significant contribution from the exchange anisotropy - a parameter which has long been ignored as being too small to be effective. Manganese ; Anisotropy ; Sign (mathematics) ; Magnetic anisotropy ; Magnitude (astronomy) ; Coupling (piping) ; Chemistry ; Ion ; Condensed matter physics ; Crystallography ; Nuclear magnetic resonance ; Materials science ; Physics ; Magnetic field ; Magnetization ; Optics ; Organic chemistry ; Quantum mechanics Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Electron Spin Resonance Studies
Authors: Maria Lo Presti | Ramón Martínez‐Máñez | José V. Ros‐Lis | Rosa M.F. Batista | Susana P. G. Costa | M. Manuela M. Raposo | Félix Sancenón
Source: New Journal of Chemistry (article, 2018-01-01)
Field: Chemistry — Spectroscopy

A dual channel sulphur-containing a macrocycle functionalised BODIPY probe for the detection of Hg(<scp>ii</scp>) in a mixed aqueous solution Probe <bold>1</bold>, containing a BODIPY fluorophore, was able to selectively detect Hg(<sc>ii</sc>) in water–acetonitrile 95 : 5 solutions by marked colour changes and emission enhancement. Chemistry ; BODIPY ; Fluorophore ; Acetonitrile ; Aqueous solution ; Fluorescence ; Photochemistry ; Chromatography ; Organic chemistry Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Sulfur Compounds in Biology
Authors: Nripasree Narayanan | Deepak NK
Source: Materials Research (article, 2018-09-03)
Field: Materials Science — Materials Chemistry

Ga Dopant Induced Band Gap Broadening and Conductivity Enhancement in Spray Pyrolysed Zn0.85Ca0.15O thin Films Ga doped Zn0.85Ca0.15O thin films were prepared by spray pyrolysis method and studied the impact of Ga doping concentration on the physical properties of these films. XRD analysis confirmed the structural purity and polycrystalline nature of the films and composition analysis verified the incorporation of dopants in the structures. Optical transmission in the visible range initially increased and at higher Ga concentration decreased in accordance with the crystalline quality. Energy gap increased with doping percentage due to Burstein-Moss effect arising from the increase in carrier concentration. Ga doping resulted in enhanced electron concentration and consequently obtained lower resistive n type thin films. At higher doping level, electron density decreased due to the limit of solid solubility and hence conductivity slightly decreased but energy gap increased due to the extended localization arising from the poor crystallinity. Mobility decreased with doping due to the increased ionized impurity scattering at lower dopant concentration and due to intra-grain cluster scattering at heavy doping. Materials science ; Dopant ; Doping ; Band gap ; Crystallinity ; Analytical Chemistry (journal) ; Thin film ; Crystallite ; Conductivity ; Nanotechnology ; Optoelectronics ; Chemistry ; Composite material ; Metallurgy ; Physical chemistry ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Copper-based nanomaterials and applications
Authors: Mahabub Alam Bhuiyan | Z. R. Kudrynskyi | Debarati Mazumder | Jake D. G. Greener | O. Makarovsky | Christopher J. Mellor | Evgeny E. Vdovin | B. A. Piot | I. I. Lobanova | Z. D. Kovalyuk | Marina Nazarova | Artem Mishchenko | Kostya S. Novoselov | Yang Cao | L. Eaves | G. Yusa | A. Patanè
Source: Advanced Functional Materials (article, 2018-11-27)
Field: Materials Science — Materials Chemistry

Photoquantum Hall Effect and Light‐Induced Charge Transfer at the Interface of Graphene/InSe Heterostructures Abstract The transfer of electronic charge across the interface of two van der Waals crystals can underpin the operation of a new class of functional devices. Among van der Waals semiconductors, an exciting and rapidly growing development involves the “post‐transition” metal chalcogenide InSe. Here, field effect phototransistors are reported where single layer graphene is capped with n‐type InSe. These device structures combine the photosensitivity of InSe with the unique electrical properties of graphene. It is shown that the light‐induced transfer of charge between InSe and graphene offers an effective method to increase or decrease the carrier density in graphene, causing a change in its resistance that is gate‐controllable and only weakly dependent on temperature. The charge transfer at the InSe/graphene interface is probed by Hall effect and photoconductivity measurmentes and it is demonstrated that light can induce a sign reversal of the quantum Hall voltage and photovoltaic effects in the graphene layer. These findings demonstrate the potential of light‐induced charge transfer in gate‐tunable InSe/graphene phototransistors for optoelectronics and quantum metrology. Graphene ; Materials science ; Heterojunction ; Optoelectronics ; van der Waals force ; Photoconductivity ; Semiconductor ; Charge carrier ; Photovoltaic effect ; Nanotechnology ; Condensed matter physics ; Quantum Hall effect ; Photovoltaic system ; Electron ; Physics ; Molecule 2D Materials and Applications ; Graphene research and applications ; Topological Materials and Phenomena
Authors: I. Hernández Delgado | Simon Pascal | Céline Besnard | Silvia Voci | Laurent Bouffier | Nešo Šojić | Jérôme Lacour
Source: Chemistry - A European Journal (article, 2018-04-26)
Field: Chemistry — Organic Chemistry

C‐Functionalized Cationic Diazaoxatriangulenes: Late‐Stage Synthesis and Tuning of Physicochemical Properties A series of nine C-functionalized cationic diazaoxatriangulene (DAOTA) dyes have been successfully synthesized and fully characterized, including X-ray structural analysis of four derivatives. The introduction of electron-withdrawing or -donating functions enables the tuning of both electro- and photochemical properties with, for instance, two consecutive (reversible) reductions or oxidations observed for nitro or amino derivatives, respectively. The substituents also impacted on the optical properties, with absorption maxima varying from λ=528 to 640 nm and fluorescence being shifted from the yellow to the red range, up to λ=656 nm. Cationic polymerization ; Nitro ; Fluorescence ; Absorption (acoustics) ; Photochemistry ; Chemistry ; Materials science ; Combinatorial chemistry ; Polymer chemistry ; Organic chemistry ; Optics Synthesis and Properties of Aromatic Compounds ; Porphyrin and Phthalocyanine Chemistry ; Luminescence and Fluorescent Materials
Authors: Chao Song | Xiaoxiong Wang | Jun Zhang | Guangdi Nie | Wei-Ling Luo | Jie Fu | Seeram Ramakrishna | Yun‐Ze Long
Source: Nanoscale Research Letters (article, 2018-09-10)
Field: Materials Science — Biomaterials

Electric Field-Assisted In Situ Precise Deposition of Electrospun γ-Fe2O3/Polyurethane Nanofibers for Magnetic Hyperthermia A facial electrospinning method of in situ precise fabricating magnetic fibrous membrane composed of polyurethane (PU) nanofibers decorated with superparamagnetic γ-Fe<sub>2</sub>O<sub>3</sub> nanoparticles with simultaneous heat generation in response to alternating magnetic field (AMF) is reported. In this method, a conical aluminum auxiliary electrode is used to regulate the electrostatic field and affect the process of electrospinning for the in situ rapid and precise deposition of electrospun γ-Fe<sub>2</sub>O<sub>3</sub>/PU fibers. The auxiliary conical electrode can extend the jet stabilization zone of the precursor solution four times longer than that of without auxiliary electrode, which can achieve the precise control of the fiber deposition area. Moreover, the electrospun composite fibrous membranes show a rapid temperature increase from room temperature to 43 °C in 70 s under the AMF, which exhibits faster heating rate and higher heating temperature compared to the samples fabricated without the assist of the auxiliary electrode. The present results demonstrate that the in situ precise electrospinning with the help of an auxiliary conical electrode has the potential as a manipulative method for preparing magnetic composite fibers as well as magnetic hyperthermia of cancer therapy. Electrospinning ; Materials science ; Electrode ; Nanofiber ; Polyurethane ; Superparamagnetism ; Composite number ; Composite material ; Nanoparticle ; Deposition (geology) ; Nanotechnology ; Membrane ; Chemical engineering ; Fiber ; Magnetic field ; Polymer ; Magnetization Electrospun Nanofibers in Biomedical Applications ; Electrohydrodynamics and Fluid Dynamics ; Advanced Sensor and Energy Harvesting Materials