83 research outputs found

    GPU Acceleration of Melody Accurate Matching in Query-by-Humming

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    With the increasing scale of the melody database, the query-by-humming system faces the trade-offs between response speed and retrieval accuracy. Melody accurate matching is the key factor to restrict the response speed. In this paper, we present a GPU acceleration method for melody accurate matching, in order to improve the response speed without reducing retrieval accuracy. The method develops two parallel strategies (intra-task parallelism and inter-task parallelism) to obtain accelerated effects. The efficiency of our method is validated through extensive experiments. Evaluation results show that our single GPU implementation achieves 20x to 40x speedup ratio, when compared to a typical general purpose CPU's execution time

    Histidine‐mediated synthesis of chiral cobalt oxide nanoparticles for enantiomeric discrimination and quantification

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    Chiral transition metal oxide nanoparticles (CTMOs) are attracting a lot of attention due to their fascinating properties. Nevertheless, elucidating the chirality induction mechanism often remains a major challenge. Herein, the synthesis of chiral cobalt oxide nanoparticles mediated by histidine (Co3O4@L-His and Co3O4@D-His for nanoparticles synthesized in the presence of L- and D-histidine, respectively) is investigated. Interestingly, these CTMOs exhibit remarkable and tunable chiroptical properties. Their analysis by x-ray photoelectron, Fourier transform infrared, and ultraviolet-visible absorption spectroscopy indicates that the ratio of Co2+/Co3+ and their interactions with the imidazole groups of histidine are behind their chiral properties. In addition, the use of chiral Co3O4 nanoparticles for the development of sensitive, rapid, and enantioselective circular dichroism-based sensors is demonstrated, allowing direct molecular detection and discrimination between cysteine or penicillamine enantiomers. The circular dichroism response of the chiral Co3O4 exhibits a limit of detection and discrimination of cysteine and penicillamine enantiomers as low as 10 µm. Theoretical calculations suggest that the ligand exchange and the coexistence of both species adsorbed on the oxide surface are responsible for the enantiomeric discrimination. This research will enrich the synthetic approaches to obtain CTMOs and enable the extension of the applications and the discovery of new chiroptical properties.National Natural Science Foundation of China | Ref. 22271257Agencia Estatal de Investigación | Ref. PID2019-108954RB-I00Xunta de Galicia | Ref. ED431C 2020/09Universidade de Vigo/CISU

    Molecular understanding of the catalytic consequence of ketene intermediates under confinement

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    [Image: see text] Neutral ketene is a crucial intermediate during zeolite carbonylation reactions. In this work, the roles of ketene and its derivates (viz., acylium ion and surface acetyl) associated with direct C–C bond coupling during the carbonylation reaction have been theoretically investigated under realistic reaction conditions and further validated by synchrotron radiation X-ray diffraction (SR-XRD) and Fourier transformed infrared (FT-IR) studies. It has been demonstrated that the zeolite confinement effect has significant influence on the formation, stability, and further transformation of ketene. Thus, the evolution and the role of reactive and inhibitive intermediates depend strongly on the framework structure and pore architecture of the zeolite catalysts. Inside side pockets of mordenite (MOR), rapid protonation of ketene occurs to form a metastable acylium ion exclusively, which is favorable toward methyl acetate (MA) and acetic acid (AcOH) formation. By contrast, in 12MR channels of MOR, a relatively longer lifetime was observed for ketene, which tends to accelerate deactivation of zeolite due to coke formation by the dimerization of ketene and further dissociation to diene and alkyne. Thus, we resolve, for the first time, a long-standing debate regarding the genuine role of ketene in zeolite catalysis. It is a paradigm to demonstrate the confinement effect on the formation, fate, and catalytic consequence of the active intermediates in zeolite catalysis

    Optomechanical effects in nanocavity-enhanced resonant Raman scattering of a single molecule

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    In this paper, we address the optomechanical effects in surface-enhanced resonant Raman scattering (SERRS) from a single molecule in a nanoparticle on mirror (NPoM) nanocavity by developing a quantum master-equation theory, which combines macroscopic quantum electrodynamics and electron-vibration interaction within the framework of open quantum system theory. We supplement the theory with electromagnetic simulations and time-dependent density functional theory calculations in order to study the SERRS of a methylene blue molecule in a realistic NPoM nanocavity. The simulations allow us not only to identify the conditions to achieve conventional optomechanical effects, such as vibrational pumping, nonlinear scaling of Stokes and anti-Stokes scattering, but also to discovery distinct behaviors, such as the saturation of exciton population, the emergence of Mollow triplet side bands, and higher-order Raman scattering. All in all, our study might guide further investigations of optomechanical effects in resonant Raman scattering.This work is supported by the Projects No. 12004344 and No. 21902148 from the National Nature Science Foundation of China, joint Project No. 21961132023 from the NSFC-DPG, Project No. PID2019-107432GB-I00 from the Spanish Ministry of Science and Innovation, and Grant No. IT1526-22 for consolidated groups of the Basque University, through the Department of Education, Research, and Universities of the Basque Government.Peer reviewe

    Chiral seeded growth of gold nanorods into fourfold twisted nanoparticles with plasmonic optical activity

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    A robust and reproducible methodology to prepare stable inorganic nanoparticles with chiral morphology may hold the key to the practical utilization of these materials. An optimized chiral growth method to prepare fourfold twisted gold nanorods is described herein, where the amino acid cysteine is used as a dissymmetry inducer. Four tilted ridges are found to develop on the surface of single-crystal nanorods upon repeated reduction of HAuCl4, in the presence of cysteine as the chiral inducer and ascorbic acid as a reducing agent. From detailed electron microscopy analysis of the crystallographic structures, it is proposed that the dissymmetry results from the development of chiral facets in the form of protrusions (tilted ridges) on the initial nanorods, eventually leading to a twisted shape. The role of cysteine is attributed to assisting enantioselective facet evolution, which is supported by density functional theory simulations of the surface energies, modified upon adsorption of the chiral molecule. The development of R-type and S-type chiral structures (small facets, terraces, or kinks) would thus be non-equal, removing the mirror symmetry of the Au NR and in turn resulting in a markedly chiral morphology with high plasmonic optical activity.Agencia Estatal de Investigación | Ref. PID2019-108954RB-I00Agencia Estatal de Investigación | Ref. PID2020-117371RA-I00Agencia Estatal de Investigación | Ref. PID2020-117779RB-I00Agencia Estatal de Investigación | Ref. MDM-2017-0720Xunta de Galicia | Ref. ED431C 2020/09Agencia Estatal de Investigación | Ref. RTI2018-101394-B-I00Agencia Estatal de Investigación | Ref. PID2021-122516OB-I00Agencia Estatal de Investigación | Ref. CEX2019-000925-SAlexander von Humboldt FoundationDeutsche ForschungsgemeinschaftNational Natural Science Foundation (China

    Exogenous spermidine improved drought tolerance in Ilex verticillata seedlings

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    Winterberry (Ilex verticillata (L.) A. Gray) is a recently introduced ornamental tree species in China that has not been closely investigated for its drought resistance. In this study, we used two-year-old cuttings from I. verticillata (L.) A. Gray and two representative varieties derived from it, I. verticillata ‘Oosterwijk’ and I. verticillata ‘Jim Dandy’, as materials to investigate how this plant responds to drought stress and whether exogenous spermidine (SPD) can alleviate the negative effects caused by drought stress. The results showed that as the degree of drought stress increased, the leaves of winterberry seedlings became chlorotic, and their edges became dry. Similarly, the relative water content, specific leaf weight, chlorophyll content, leaf nitrogen content, net photosynthetic rate, stomatal conductance and transpiration rate were significantly reduced, whereas the content of malondialdehyde continuously increased with the degree of drought stress. The activities of superoxide dismutase, peroxidase, and catalase increased under moderate drought stress and then decreased under severe drought stress. The levels of soluble sugar and abscisic acid continued to increase, while those of auxin and gibberellic acid decreased. When compared with individual drought stress, an increase in the amount of external SPD clearly alleviated the effect of drought stress on winterberry seedlings. The combined phenotypes and physiological indices of the winterberry leaves under drought stress conditions revealed that the drought resistance of the native species was significantly higher than its two varieties. This finding serves as an important theoretical foundation for the popularization and application of I. verticillata (L.) A. Gray and the two varieties

    Palladium nanoparticle-loaded cellulose paper: a highly efficient, robust, and recyclable self-assembled composite catalytic system

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    We present a novel strategy based on the immobilization of palladium nanoparticles (Pd NPs) on filter paper for development of a catalytic system with high efficiency and recyclability. Oleylamine-capped Pd nanoparticles, dispersed in an organic solvent, strongly adsorb on cellulose filter paper, which shows a great ability to wick fluids due to its microfiber structure. Strong van der Waals forces and hydrophobic interactions between the particles and the substrate lead to nanoparticle immobilization, with no desorption upon further immersion in any solvent. The prepared Pd NP-loaded paper substrates were tested for several model reactions such as the oxidative homocoupling of arylboronic acids, the Suzuki cross-coupling reaction, and nitro-to-amine reduction, and they display efficient catalytic activity and excellent recyclability and reusability. This approach of using NP-loaded paper substrates as reusable catalysts is expected to open doors for new types of catalytic support for practical applications
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