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This paper presents a new approach to classification of high-dimensional spectroscopy data and demonstrates that it outperforms other current state-of-the art approaches. The specific task we consider is identifying whether samples contain chlorinated solvents or not, based on their Raman spectra. We also examine robustness to classification of outlier samples that are not represented in the training set (negative outliers). A novel application of a locally connected neural network (NN) for the binary classification of spectroscopy data is proposed and demonstrated to yield improved accuracy over traditionally popular algorithms. Additionally, we present the ability to further increase the accuracy of the locally connected NN algorithm through the use of synthetic training spectra, and we investigate the use of autoencoder based one-class classifiers and outlier detectors. Finally, a two-step classification process is presented as an alternative to the binary and one-class classification paradigms. This process combines the locally connected NN classifier, the use of synthetic training data, and an autoencoder based outlier detector to produce a model which is shown to both produce high classification accuracy and be robust in the presence of negative outliers.To monitor d-glucose (Glu) in complex aqueous media with a high specificity, a conceptually new "selective capture and controllable detection" nanoreactor was explored. We designed and synthesized poly maleic anhydride-styrene-N-isopropylacrylamide-(4-aminophenyl) boronic acid [P(MAn-St-NIPAm-PBA)] to fabricate the nanoreactor. On the surface of the self-assembled, micelle-based nanoreactor, the stereo precise placement PBA provided a recognition unit in the block copolymer structure to boost the selective capture of Glu over other saccharides. P(MAn-St-NIPAm) served as the thermal sensitive moiety of the nanoreactor, which embedded with glucose oxidase and myoglobin-based catalyst in order to realize the controllable enzymolysis of Glu through temperature alteration. Once the nanoreactor was mixed with Glu, an obvious change in the UV-visible intensity of quinine produced in the multienzymolysis was observed. Glu in the rat microdialysates of brain ischemia was successfully monitored by the nanoreactor method, demonstrating the feasibility of constructing high-specificity nanoreactors for cerebral system applications.Arsenene, as an exotic representative of two-dimensional (2D) materials, has received great interest, yet the interest is mainly based on theoretical study. The reason for this is a restricted ability to operate the material from its synthesis to implementation. Beginning with the production, electrochemical exfoliation has been found as an extremely effective method for the preparation of 2D materials from bulk materials. Here, for the first time, we demonstrate the electrochemical exfoliation of bulk black arsenic in the anhydrous electrolyte medium. Spectro- and microscopic analyses evidence micrometer lateral size few-layer arsenene in a netlike porous shape formed of 2D flakes. We demonstrate that the surfactant-free exfoliation successfully resulted in a stable dispersion for which only washing with the corresponding solvent was sufficient. This electrochemistry route for the black arsenic exfoliation toward few-layer arsenene will broaden the materials' scope applications in new-generation devices.Pulsed field gradient (PFG) NMR measurements, combined with a novel optimization method, are used to determine the composition of hydrocarbon mixtures of linear alkanes (C7-C16) in both the bulk liquid state and when imbibed within a porous medium of mean pore diameter 28.6 nm. The method predicts the average carbon number of a given mixture to an accuracy of ±1 carbon number and the mole fraction of a mixture component to within an average root-mean-square error of ±0.036 with just three calibration mixtures. Given that the method can be applied at any conditions of temperature and pressure at which the PFG NMR measurements are made, the method has the potential for application in characterising hydrocarbon liquid mixtures inside porous media and at the operating conditions relevant to, for example, hydrocarbon recovery and heterogeneous catalysis.2D-Ti3C2Tx MXene flake restacking and the small interlayer spacing of these MXenes limit their application in capacitive deionization. Here, we designed an all-MXene-based (L-S-Ti3C2Tx) flexible film electrode, enabled by large-size Ti3C2Tx (lateral dimensions of ⩾1 μm) MXene (L-Ti3C2Tx) nanosheets, which provided conductive pathways and were active substances, and by small-size Ti3C2Tx (500 nm) MXene (S-Ti3C2Tx) nanosheets, which were used as intercalation materials and active substances, for high-performance desalination in capacitive deionization applications. The as-synthesized L-S-Ti3C2Tx electrode achieved an excellent capacitance (169 F/g at 5 mV/s) and long-term cycling stability (maintained 91.7% of the initial capacitance after 5000 cycles). Additionally, these electrodes exhibited a high electroadsorption capacity (72 mg NaCl/g L-S-Ti3C2Tx, 10 mM NaCl solution). The improved electrochemical and desalination performance and outstanding long-term cycling stability can be attributed to the small Ti3C2Tx sheets that were introduced, which could be beneficial in exposing more active sites, facilitating electron transport, and shortening the diffusion path of Na ions. Our work opens up a new design space for the development of high-performance anode materials.In general immunoassays, secondary antibodies are covalently linked with enzymes and bind to the Fc region of target-bound primary antibodies to amplify signals of low-abundant target molecules. The antibodies themselves are obtained from large mammals and are further modified with enzymes. In this study, we developed novel recombinant immunoglobulin G (IgG)-binding luciferase-based signal amplifiers (rILSAs) by genetically fusing luciferase (Nluc) with antimouse IgG1 nanobody (MG1Nb) and antibody-binding domain (ABD), individually or together, in a mix-and-match manner. We obtained three different highly pure rILSAs in large quantities using a bacterial overexpression system and one-step purification. Mouse-specific rILSA, MG1Nb-Nluc, and rabbit-specific rILSA, Nluc-ABD, selectively bound to target-molecule-bound mouse IgG1 and rabbit IgG primary antibodies, whereas the bispecific rILSA, MG1Nb-Nluc-ABD, mutually bound to both mouse IgG1 and rabbit IgG primary antibodies. All rILSAs exhibited an outstanding signal-amplifying capability comparable to those of conventional horseradish-peroxidase-conjugated secondary antibodies, regardless of the target molecules, in various immunoassay formats, such as enzyme-linked immunosorbent assay, Western blot, and lateral flow assays. Each rILSA was selected for its own individual purpose and applied to various types of target analytes, in combination with a variety of target-specific primary antibodies, effectively minimizing the use of animals as well as reducing the costs and time associated with the production and chemical conjugation of signal-amplifying enzymes.Renewable biobased porous aerogels with excellent biodegradability have versatile applications in oil/water separation, catalysis, and tissue engineering. However, processing of the porous matrix is challenging due to the high energy consumption and low efficiency from the fabrication procedures, such as freeze-drying or critical-drying of the hydrogel, which need to be improved. In the present study, natural amphiphilic oligomer shellac secreted by the lac Kerriar Lacca insect was employed to fabricate the porous template, which could self-assemble into a continuous rigid network with a hydrophobic core. Because of the hydrophobic core, the hydrated shellac network could be directly dried without collapse by the ambient air. The air-drying shellac aerogel presented a great mechanical property. The silane-coating treatment converted this shellac aerogel into a hydrophobic material that absorbed various organic solvents and oils. Also, this silane-coated shellac aerogel also could remove organic solvent or oil from the bottom or surface of the water. Notably, the saturable aerogel rapidly degraded in pH 14 and released the solvent absorbed by this matrix. This porous and hydrophobic matrix also could be applied as a filter that could connect with a vacuum pump to assemble a device for continuous collecting of oil from water. It also has great potential to be employed as a high-efficiency strategy to treat large scale oil spill issues. A new porous template composed of natural resin secreted by the insect was fabricated, and the whole fabrication process was green, low-cost, and energy saving. The surface of this template could be modified further to effectuate other processes, such as catalysis, heavy metal absorption, and tissue proliferation.We present the high-pressure synthesis and crystal structure of a novel titanium hydride complex, BaCa2Ti2H14, with 9-fold coordination. It comprises a unique dinuclear [Ti2H14]6- complex that consists of a pair of Ti4+ ions each coordinated by nine hydrides in the monocapped square antiprism, distinguished from the known 9-fold coordination in the mononuclear tricapped trigonal prism of [MH9]x-. The dinuclear hydride complex is stabilized by three-center two-electron bonding at the four bridging Ti-H-Ti bonds to compensate for the lack of valence electrons in the Ti4+ ions. Optical measurements show that BaCa2Ti2H14 is a band insulator with a wide band gap of 2.25 eV. Density functional theory calculations reveal that the top of the valence band is dominated by H-1s-derived states, as expected from the 9-fold coordination, which would present a playground for electronic properties such as high-Tc superconductivity when doped with hole carriers or under high pressure.Luminescent Eu(III) complexes with a ligand-to-metal charge transfer (LMCT) state were demonstrated for the development of a molecular thermometer. The Eu(III) complex was composed of three anionic ligands (hfa hexafluoroacetylacetonate) and a phosphine oxide derivative containing a chrysene framework (diphenylphosphorylchrysene (DPCO)). The chrysene framework induced a rigid coordination structure via intermolecular interactions, resulting in a high thermal stability (decomposition point 280 °C). this website The Eu(III) complex also exhibited an extremely high molar absorption coefficient (490000 cm-1 M-1), high intrinsic emission quantum yields (73%), and temperature-dependent energy migration between ligands and Eu(III) ion. The characteristic energy migration system was explained by the presence of the LMCT state based on π-f orbital interactions.Principles that predict reactions or properties of materials define the discipline of chemistry. In this work, we derive chemical rules, based on atomic distances and chemical bond character, which predict topological materials in compounds that feature the structural motif of a square-net. Using these rules, we identify over 300 potential new topological materials. We show that simple chemical heuristics can be a powerful tool to characterize topological matter. In contrast to previous database-driven materials' categorization, our approach allows us to identify candidates that are alloys, solid-solutions, or compounds with statistical vacancies. While previous material searches relied on density functional theory, our approach is not limited by this method and could also be used to discover magnetic and statistically disordered topological semimetals.
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