bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sol–Gel Synthesis of Robust Metal–Organic Frameworks for Nanoparticle Encapsulation
Authors: Mehta Joshua P. , Tian Tian , Zeng Zhixin , Divitini Giorgio , Connolly Bethany M. , Midgley Paul A. , Tan Jin‐Chong , Fairen‐Jimenez David , Wheatley Andrew E. H. 
Published: January 2018

AbstractA new type of composite material involving the in situ immobilization of tin oxide nanoparticles (SnO2‐NPs) within a monolithic metal–organic framework (MOF), the zeolitic imidazolate framework (ZIF)‐8 is presented. SnO2@monoZIF‐8 exploits the mechanical properties, structural resilience, and high density of a monolithic MOF, while leveraging the photocatalytic action of the nanoparticles. The composite displays outstanding photocatalytic properties and represents a critical advance in the field of treating toxic effluents and is a vital validation for commercial application. Crucially, full retention of catalytic activity is observed after ten catalytic cycles.
Ultrathin Semiconductor Superabsorbers from the Visible to the Near‐Infrared
Authors: Molet Pau , Garcia‐Pomar Juan Luis , Matricardi Cristiano , Garriga Miquel , Alonso Maria Isabel , Mihi Agustín 
Published: January 2018

AbstractThe design of ultrathin semiconducting materials that achieve broadband absorption is a long‐sought‐after goal of crucial importance for optoelectronic applications. To date, attempts to tackle this problem consisted either of the use of strong—but narrowband—or broader—but moderate—light‐trapping mechanisms. Here, a strategy that achieves broadband optimal absorption in arbitrarily thin semiconductor materials for all energies above their bandgap is presented. This stems from the strong interplay between Brewster modes, sustained by judiciously nanostructured thin semiconductors on metal films, and photonic crystal modes. Broadband near‐unity absorption in Ge ultrathin films is demonstrated, which extends from the visible to the Ge bandgap in the near‐infrared and is robust against angle of incidence variation. The strategy follows an easy and scalable fabrication route enabled by soft nanoimprinting lithography, a technique that allows seamless integration in many optoelectronic fabrication procedures.
Dysfunctional sarcomere contractility contributes to muscle weakness in ACTA1‐related nemaline myopathy (NEM3)
Authors: Joureau Barbara , de Winter Josine Marieke , Conijn Stefan , Bogaards Sylvia J. P. , Kovacevic Igor , Kalganov Albert , Persson Malin , Lindqvist Johan , Stienen Ger J. M. , Irving Thomas C. , Ma Weikang , Yuen Michaela , Clarke Nigel F. , Rassier Dilson E. , Malfatti Edoardo , Romero Norma B. , Beggs Alan H. , Ottenheijm Coen A. C. 
Published: January 2018

ObjectiveNemaline myopathy (NM) is one of the most common congenital nondystrophic myopathies and is characterized by muscle weakness, often from birth. Mutations in ACTA1 are a frequent cause of NM (ie, NEM3). ACTA1 encodes alpha‐actin 1, the main constituent of the sarcomeric thin filament. The mechanisms by which mutations in ACTA1 contribute to muscle weakness in NEM3 are incompletely understood. We hypothesized that sarcomeric dysfunction contributes to muscle weakness in NEM3 patients.MethodsTo test this hypothesis, we performed contractility measurements in individual muscle fibers and myofibrils obtained from muscle biopsies of 14 NEM3 patients with different ACTA1 mutations. To identify the structural basis for impaired contractility, low angle X‐ray diffraction and stimulated emission‐depletion microscopy were applied.ResultsOur findings reveal that muscle fibers of NEM3 patients display a reduced maximal force‐generating capacity, which is caused by dysfunctional sarcomere contractility in the majority of patients, as revealed by contractility measurements in myofibrils. Low angle X‐ray diffraction and stimulated emission‐depletion microscopy indicate that dysfunctional sarcomere contractility in NEM3 patients involves a lower number of myosin heads binding to actin during muscle activation. This lower number is not the result of reduced thin filament length. Interestingly, the calcium sensitivity of force is unaffected in some patients, but decreased in others.InterpretationDysfunctional sarcomere contractility is an important contributor to muscle weakness in the majority of NEM3 patients. This information is crucial for patient stratification in future clinical trials. Ann Neurol 2018;83:269–282
Central vein sign differentiates Multiple Sclerosis from central nervous system inflammatory vasculopathies
Authors: Maggi Pietro , Absinta Martina , Grammatico Matteo , Vuolo Luisa , Emmi Giacomo , Carlucci Giovanna , Spagni Gregorio , Barilaro Alessandro , Repice Anna Maria , Emmi Lorenzo , Prisco Domenico , Martinelli Vittorio , Scotti Roberta , Sadeghi Niloufar , Perrotta Gaetano , Sati Pascal , Dachy Bernard , Reich Daniel S. , Filippi Massimo , Massacesi Luca 
Published: January 2018

ObjectivesIn multiple sclerosis (MS), magnetic resonance imaging (MRI) is a sensitive tool for detecting white matter lesions, but its diagnostic specificity is still suboptimal; ambiguous cases are frequent in clinical practice. Detection of perivenular lesions in the brain (the “central vein sign”) improves the pathological specificity of MS diagnosis, but comprehensive evaluation of this MRI biomarker in MS‐mimicking inflammatory and/or autoimmune diseases, such as central nervous system (CNS) inflammatory vasculopathies, is lacking. In a multicenter study, we assessed the frequency of perivenular lesions in MS versus systemic autoimmune diseases with CNS involvement and primary angiitis of the CNS (PACNS).MethodsIn 31 patients with inflammatory CNS vasculopathies and 52 with relapsing–remitting MS, 3‐dimensional T2*‐weighted and T2–fluid‐attenuated inversion recovery images were obtained during a single MRI acquisition after gadolinium injection. For each lesion, the central vein sign was evaluated according to consensus guidelines. For each patient, lesion count, volume, and brain location, as well as fulfillment of dissemination in space MRI criteria, were assessed.ResultsMS showed higher frequency of perivenular lesions (median = 88%) than did inflammatory CNS vasculopathies (14%), without overlap between groups or differences between 3T and 1.5T MRI. Among inflammatory vasculopathies, Behçet disease showed the highest median frequency of perivenular lesions (34%), followed by PACNS (14%), antiphospholipid syndromes (12%), Sjögren syndrome (11%), and systemic lupus erythematosus (0%). When a threshold of 50% perivenular lesions was applied, central vein sign discriminated MS from inflammatory vasculopathies with a diagnostic accuracy of 100%.InterpretationThe central vein sign differentiates inflammatory CNS vasculopathies from MS at standard clinical magnetic field strengths. Ann Neurol 2018;83:283–294
Subwavelength Hyperlens Resolution With Perfect Contrast Function
Authors: Novitsky Andrey , Repän Taavi , Zhukovsky Sergei V. , Lavrinenko Andrei V. 
Published: January 2018

AbstractRecently it has been shown that plasmonic effects in hyperbolic metamaterials may facilitate overcoming the diffraction limit and enhance the contrast function of an image by filtering background radiation. Unfortunately, the contrast function of such a dark‐field hyperlens degrades in the deep‐subwavelength regime. We push forward the concept of the contrast function revival in the subwavelength imaging by introduction of the proper phase difference between coherent sources. To study this effect we develop a simplified theory of the wave propagation through a hyperbolic metamaterial and show that, in principle, two sources standing apart at any subwavelength distance can be distinguished. We suggest two feasible designs, the first of which employs the obliquely incident light, while the second one is based on a properly designed metasurface. The concept can be used in high‐contrast subwavelength microscopy.
Optical Absorption in Periodic Graphene Superlattices: Perpendicular Applied Magnetic Field and Temperature Effects
Authors: de Dios‐Leyva Melquiades , Hernández‐Bertrán Michael A. , Morales Alvaro L. , Duque Carlos A. , Phuc Huynh Vinh 
Published: January 2018

AbstractA detailed study of the magneto‐optical absorption is presented for graphene superlattices (SLs) subjected to a perpendicular magnetic field. For a given temperature, this quantity exhibits a resonant peak structure whose characteristics depend on the magnetic field regime, circular polarization of light and SL barrier height. For the intermediate field regime, we demonstrated that the resonant peak structure of is directly correlated to the partial joint density of states. Specifically, the latter exhibits van Hove‐like singularities and peaks at energies where takes its maximum values. We also investigated the magnetoabsorption in the weak field regime for SLs exhibiting one and extra Dirac points in the absence of the field. It was found that for SLs with only one Dirac point, the absorption spectra consist of resonant peaks satisfying the same circular polarization dependent selection rule as that for pristine graphene, except for one of them. For SLs with extra Dirac points, the resonant peaks arise from transitions between singlet subbands or between doublet subbands and satisfy a circular polarization and peak intensity dependent selection rule. It was also found that the resonant structure of can be observed experimentally at room temperature in clean SLs.
Catalytic Asymmetric Dearomatization of Indolyl Dihydropyridines through an Enamine Isomerization/Spirocyclization/Transfer Hydrogenation Sequence
Authors: Xia Zi‐Lei , Zheng Chao , Wang Shou‐Guo , You Shu‐Li 
Published: January 2018

AbstractA highly efficient synthesis of enantioenriched spiroindolines by catalytic asymmetric dearomatization of indolyl dihydropyridines through a chiral phosphoric acid catalyzed enamine isomerization/spirocyclization/transfer hydrogenation sequence has been developed. This reaction proceeds under mild reaction conditions, affording novel spiroindolines in good yields (up to 88 %) with excellent enantioselectivity (up to 97 % ee). DFT calculations provide insights into the reaction mechanism as well as the origin of stereochemistry.
From Intramolecular (Circular) in an Isolated Molecule to Intermolecular Hole Delocalization in a Two‐Dimensional Solid‐State Assembly: The Case of Pillarene
Authors: Ivanov Maxim V. , Wang Denan , Navale Tushar S. , Lindeman Sergey V. , Rathore Rajendra 
Published: January 2018

AbstractTo achieve long‐range charge transport/separation and, in turn, bolster the efficiency of modern photovoltaic devices, new molecular scaffolds are needed that can self‐assemble in two‐dimensional (2D) arrays while maintaining both intra‐ and intermolecular electronic coupling. In an isolated molecule of pillarene, a single hole delocalizes intramolecularly via hopping amongst the circularly arrayed hydroquinone ether rings. The crystallization of pillarene cation radical produces a 2D self‐assembly with three intermolecular dimeric (sandwich‐like) contacts. Surprisingly, each pillarene in the crystal lattice bears a fractional formal charge of +1.5. This unusual stoichiometry of oxidized pillarene in crystals arises from effective charge distribution within the 2D array via an interplay of intra‐ and intermolecular electronic couplings. This important finding is expected to help advance the rational design of efficient solid‐state materials for long‐range charge transfer.
An Exceptionally Close, Non‐Bonded Hydrogen–Hydrogen Contact with Strong Through‐Space Spin–Spin Coupling
Authors: Xiao Yonglong , Mague Joel T. , Pascal Robert A. 
Published: January 2018

AbstractCondensation of 1,8,13‐tris(mercaptomethyl)triptycene and tris(bromomethyl)methane yields an in,in‐cyclophane with two inwardly directed methine groups. Based on X‐ray analysis and DFT and MP2 calculations, the hydrogen–hydrogen non‐bonded contact distance is estimated to be 1.50–1.53 Å. Furthermore, the two in‐hydrogen atoms show obvious spin–spin coupling with J=2.0 Hz.
Reductive Carbocyclization of Homoallylic Alcohols to syn‐Cyclobutanes by a Boron‐Catalyzed Dual Ring‐Closing Pathway
Authors: Hazra Chinmoy Kumar , Jeong Jinhoon , Kim Hyunjoong , Baik Mu‐Hyun , Park Sehoon , Chang Sukbok 
Published: January 2018

AbstractThe organoborane‐catalyzed reductive carbocyclization of homoallylic alcohols has been developed by using hydrosilanes as reducing reagents to provide a range of 1,2‐disubstituted arylcyclobutanes. The reaction proceeds in a cis‐selective manner with high efficiency under mild conditions. Mechanistic studies, including deuterium scrambling and Hammett studies, and DFT calculations, suggest a dual ring‐closing pathway.
Aerobic Photooxidative Synthesis of β‐Alkoxy Monohydroperoxides Using an Organo Photoredox Catalyst Controlled by a Base
Authors: Asano Yuya , Nagasawa Yoshitomo , Yamaguchi Eiji , Itoh Akichika 
Published: January 2018

AbstractTransition‐metal‐free synthesis of β‐alkoxy monohydroperoxides via aerobic photooxidation using an acridinium photocatalyst was developed. This method enables the synthesis of some novel hydroperoxides. The peroxide source is molecular oxygen, which is cost‐effective and atomically efficient. Magnesium oxide plays an important role as a base in the catalytic system.
Synthesis of Hollow Mesoporous TiO2 Microspheres with Single and Double Au Nanoparticle Layers for Enhanced Visible‐Light Photocatalysis
Authors: Rahman Zia Ur , Wei Ning , Feng Yange , Zhang Xiaolong , Wang Daoai 
Published: January 2018

AbstractA facile method was used to prepare hollow mesoporous TiO2 and Au@TiO2 spheres using polystyrene (PS) templates. Au nanoparticles (NPs) were simultaneously synthesized and attached on the surface of PS spheres by reducing AuCl4− ions using sodium citrate which resulted in the uniform deposition of Au NPs. The outer coating of titania via sol‐gel produced PS@Au@TiO2 core–shell spheres. Removing the templates from these core–shell spheres through calcination produced hollow mesoporous and crystalline Au@TiO2 spheres with Au NPs inside the TiO2 shell in a single step. Anatase spheres with double Au NPs layers, one inside and another outside of TiO2 shell, were also prepared. Different characterization techniques indicated the hollow mesoporous and crystalline morphology of the prepared spheres with Au NPs. Hollow anatase spheres with Au NPs indicated enhanced harvesting of visible light and therefore demonstrated efficient catalytic activity toward the degradation of organic dyes under the irradiation of visible light as compared to bare TiO2 spheres.
4‐Phenylbutyric acid presents therapeutic effect on osteoarthritis via inhibiting cell apoptosis and inflammatory response induced by endoplasmic reticulum stress
Authors: Tang Yang‐hua , Yue Zhen‐shuang , Zheng Wen‐jie , Shen Hong‐fei , Zeng Lin‐ru , Hu Zhong‐qing , Xiong Zhen‐fei 
Published: January 2018

AbstractOsteoarthritis (OA) is a common bone and joint disease with a wild range of risk factors, which is associated with endoplasmic reticulum (ER) stress. The aim of our study was to discuss the possible mechanism of ER stress associated with OA in vivo and explore novel therapeutic method against OA. OA‐induced damages in cartilage tissues were evaluated by HE, Safranin O/fast green, and TUNEL staining. The inflammatory factors concentration and the expression of FAP, MMP2, MMP9, Bax, Bcl‐2, CHOP, and GRP78 were evaluated by ELISA, real‐time PCR, and Western blot analyses. As results, 4‐phenylbutyric acid (4‐PBA)‐treated OA cartilage tissues presented alleviated tissue damage with less apoptotic cells and cytokine production in comparison with advanced‐OA tissues. Downregulation of Bax/Bcl‐2, CHOP, GRP78, inflammatory factors, and reactive oxygen species generation, and the increase of MMP level detected after 4‐PBA treatment indicated an inhibitory effect of 4‐PBA on cell apoptosis, inflammatory response, and ER stress in OA. In conclusion, we indicate that ER stress causes cell apoptosis and inflammatory response, resulting in the tissue damage within OA. At the same time, 4‐PBA exhibited protective effect on cartilage cells against OA through the inhibition of ER stress.
A novel red emitting phosphor LiBaB9O15:Sm2+/Sm3+, li+ with broad excitation band for white LEDs
Authors: Li Ting , Wang Zhijun , Li Panlai , Xu Shuchao , Bai Qiongyu , Yang Zhiping 
Published: January 2018

AbstractA novel tunable red emitting phosphor LiBaB9O15:Sm2+/Sm3+, Li+ with broad excitation band was synthesized by a high temperature solid‐state method. Luminescence properties were investigated in detail by luminescence, X‐ray photoelectron spectroscopy (XPS) spectra and CIE chromaticity coordinates. XPS data confirmed that there were Sm3+ in LiBaB9O15:Sm3+ and Sm2+/Sm3+ in LiBaB9O15:Sm2+/Sm3+, respectively. Spectral property of LiBaB9O15:Sm3+, LiBaB9O15:Sm3+/Sm2+ and LiBaB9O15:Sm2+, Li+ presented that the excitation band of Sm3+ widened and the excitation band of Sm2+ ranged from 350 to 450 nm. And the red light color is tunable with changing Li+ concentration. The results indicated that LiBaB9O15:Sm2+/Sm3+, Li+ may be promising red phosphor for white light emitting diodes.
Solvatochromic study of 3‐N‐(N′‐methylacetamidino)benzanthrone and its interaction with dopamine by the fluorescence quenching mechanism
Authors: Bharathi D. , Siddlingeshwar B. , Shivraj  , Thomas Anup , Kirilova Elena M. , Nikolajeva Irena 
Published: January 2018

AbstractThe change in photophysical properties of the organic molecule due to solvatochromic effect caused by different solvent environments at room temperature gives information about the dipole moments of 3‐N‐(N′‐methylacetamidino)benzanthrone (3‐MAB). The quantum yield, fluorescence lifetime of 3‐MAB was measured in different solvents to calculate radiative and non‐radiative rate constants. The results revealed that the excited state dipole moment (μe) is relatively larger compared to the ground state dipole moment (μg), indicating the excited state of the dye under study is more polar than the ground state and the same trend is noticed with theoretical calculations performed using the CAM‐B3LYP/6‐311+G(d,p) method. Further, the study on preferential solvation was carried out for 3‐MAB dye in ethyl acetate–methanol solvent mixture. The fluorescence quenching method has been employed for the detection of dopamine using 3‐MAB as fluorescent probe, using steady‐state and time resolved methods at room temperature. The method enables dopamine in the micro molar range to be detected. Also, an attempt to verify the quenching process by employing different models has been tried. Various rate parameters are measured using these models, our results indicates the quenching process is diffusion limited.
Energy‐based dissolution simulation using SPH sampling
Authors: Jiang Min , Southern Richard , Zhang Jiang J. 
Published: January 2018

AbstractA novel unified particle‐based method is proposed for real‐time dissolution simulation that is fast, predictable, independent of sampling resolution, and visually plausible. The dissolution model is derived from collision theory and integrated into a smoothed particle hydrodynamics fluid solver. Dissolution occurs when a solute is submerged in solvent. Physical laws govern the local excitation of solute particles based on kinetic energy: when the local excitation energy exceeds a user‐specified threshold (activation energy), the particle will be dislodged from the solid. Solute separation during dissolution is handled using a new Graphics Processing Unit (GPU)‐based region growing method. The use of smoothed particle hydrodynamics sampling for both solute and solvent guarantees a predictable and smooth dissolution process and provides user control of the volume change during the phase transition. A mathematical relationship between the activation energy and dissolution time allows for intuitive artistic control over the global dissolution rate. We demonstrate this method using a number of practical examples, including antacid pills dissolving in water, hydraulic erosion of nonhomogeneous terrains, and melting.
Fusing a Planar Group to a π‐Bowl: Electronic and Molecular Structure, Aromaticity and Solid‐State Packing of Naphthocorannulene and its Anions
Authors: Zhou Zheng , Spisak Sarah N. , Xu Qi , Rogachev Andrey Yu. , Wei Zheng , Marcaccio Massimo , Petrukhina Marina A. 
Published: January 2018

AbstractMolecular and electronic structure, reduction electron transfer and coordination abilities of a polycyclic aromatic hydrocarbon (PAH) having a planar naphtho‐group fused to the corannulene bowl have been investigated for the first time using a combination of theoretical and experimental tools. A direct comparison of naphtho[2,3‐a]corannulene (C28H14, 1) with parent corannulene (C20H10, 2) revealed the effect of framework topology change on electronic properties and aromaticity of 1. The presence of two reduction steps for 1 was predicted theoretically and confirmed experimentally. Two reversible one‐electron reduction processes with the formal reduction potentials at −2.30 and −2.77 V versus Fc+/0 were detected by cyclic voltammetry (CV) measurements, demonstrating accessibility of the corresponding mono‐ and dianionic states of 1. The products of the singly and doubly reduced napththocorannulene were prepared using chemical reduction with Group 1 metals and isolated as sodium and rubidium salts. Their X‐ray diffraction study revealed the formation of “naked” mono‐ and dianions crystallized as solvent‐separated ion products with one or two sodium cations as [Na+(18‐crown‐6)(THF)2][C28H14−] and [Na+(18‐crown‐6)(THF)2]2[C28H142−] (3⋅THF and 4⋅THF, respectively). The dianion of 1 was also isolated as a contact‐ion complex with two rubidium countercations, [{Rb+(18‐crown‐6)}2(C28H142−)] (5⋅THF). The structural consequences of adding one and two electrons to the carbon framework of 1 are compared for 3, 4 and 5. Changes in aromaticity and charge distribution stemming from the stepwise electron acquisition are discussed based on DFT computational study.
Mehr als 75 Jahre Polyacrylnitrilfaser
Authors: Vogler Herbert 
Published: January 2018

ZusammenfassungVor 75 Jahren wurde ein Verfahren zur Faserherstellung aus Polyacrylnitril aufgefunden. Nahezu gleichzeitig und unabhängig voneinander kamen der Deutsche Herbert Rein bei der IG Farbenindustrie und der Amerikaner Ryde C. Houtz bei der Firma Du Pont zu dem Ergebnis, dass Polyacrylnitril aus Lösungen in Dimethylformamid zu Fasern verarbeitet werden kann. Unter dem Markennamen Orlon brachte Du Pont 1950 die erste Polyacrilnitrilfaser auf den Markt. In Deutschland, wo die Entwicklung durch den Zweiten Weltkrieg gehemmt worden war, kamen Polyacrylnitrilfasern zwei Jahre später in den Handel. Für einige spezielle Einsatzgebiete haben sich diese Fasern in den zurück liegenden Jahren auf dem textilen Rohstoffmarkt einen festen Platz erobert.