查看更多>>摘要：The development of meaningful descriptions of multidomain proteins exhibiting complex inter-domain dynamics modes is a key challenge for understanding their roles in molecular recognition and signalling processes. Here we developed a generally applicable approach for probing the low frequency collective hydration dynamics of multidomain proteins that uses terahertz spectroscopy of a protein molecule confined in a phospholipid reverse micelles environment (named Droplet THz). With the combination of normal mode analysis, we demonstrated the binding of calcium ions modulates the local inter-domain motion of the human coagulant factor VIII protein in a concentration-dependent manner. These findings highlight the Droplet THz as a valuable tool for dissecting the ultrafast dynamics of domain motion in the multidomain proteins and suggest a modulating mechanism of calcium ions on the structural flexibility and function of human coagulant proteins. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：A novel absorption line shape recovery method with self-calibration function and ultra-easy implementation was introduced to direct absorption spectroscopy (DAS) in this study. The self-calibration function empowered the DAS system with the immunity to the laser power fluctuations. The ultra-easy implementation was achieved in that the DAS system was substantially simplified with a single-path DAS rather than the traditional dual-path differential optical absorption spectroscopy (DOAS), and the absorption profile can be directly recovered by an analog or digital filter instead of complex fitting algorithm or sophisticated balance detection circuits. The reliability and self-calibration characteristic of the new method were validated using CH4 transition at 1653.72 nm, where the line strength is 1.45 x 10(-21) cm/molec. The Voigt fitting residual and signal to noise ratio were optimized in detail and compared with the DOAS. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：As a kind of reactive oxygen species, peroxynitrite is related to various diseases closely such as cancer and neurodegenerative diseases. Constructing probes with highly specific ability and a wide linear detection range for peroxynitrite detection is crucial for understanding the pathogenesis of related diseases and optimizing treatments. In this work, we developed a novel luminescent ratiometric fluorescence nanoprobe (PC-CDs) based on carbon dots and phycocyanin. PC-CDs are constructed by amidation reaction between carbon dots and phycocyanin. The nanoprobe we obtained has a good ability of distinguishing peroxynitrite from other reactive oxygen species and interfering substances. Moreover, the linear range of the nanoprobe is 0.5-100 mu M and the limit of detection is 0.5 mu M when detecting peroxynitrite. In the spiked recovery experiments under phosphate buffered saline (PBS) environment, our nanoprobe has a good recovery performance and the recovery is 99% - 104%, which will be beneficial to the further development of peroxynitrite testing and the research progress of related diseases. Finally, we discuss the quenching mechanism of peroxynitrite for nanoprobe, and found that there is the combination of dynamic and static quenching in the quenching process. (C) 2022 Published by Elsevier B.V.
查看更多>>摘要：Circularly polarized luminescence (CPL) molecules with thermally activated delayed fluorescence (TADF) features show promising applications in high-efficiency circularly polarized organic light emitting diodes (CP-OLEDs). Herein, a pair of chiral molecules (R)-ImNT and (S)-ImNT are studied, two kinds of conformations are found by molecular dynamic conformation search, namely the quasi-axial and the quasi-equatorial conformations. Moreover, molecule with quasi-axial conformation is conducive to achieve outstanding CPL properties due to the large contributions of chiral groups to natural transition orbitals. While the energy gaps for quasi-equatorial conformations are significantly reduced and spin-orbit coupling effects between them are obviously increased. In addition, the quasi-equatorial configuration can facilitate the reverse intersystem crossing process to achieve remarkable TADF feature. Relationships between molecular geometries and CPL as well as TADF properties are revealed. Our research elucidates the relationship between geometric structure and luminescence mechanism, which could provide valuable insights for the design of efficient CPL-TADF emitters. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：A simple photochromic Schiff base was successfully prepared by the condensation of salicylaldehyde and benzoyl hydrazine. This compound has reversible photochromic properties based on isomerization and ESIPT mechanisms. In organic solvents, after irradiation with 365 nm UV light for 2 min, the absorption peak at 367 nm of the compound showed a significant decrease, while a double absorption peak appeared at 418 nm and 438 nm, accompanied by a significant change of the solution color from colorless to yellow. The compound can also complex with Al3+ at the molar ratio of 2:1 in the water solution (acetonitrile/water, v/v, 1:99), resulting in significantly enhanced fluorescence of the compound, so as to achieve fluorescence detection of Al3+ in living cells and water samples. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：Blueberries (Vaccinium sp.) are consumed all around the globe, however, their endophytic community has not been thoroughly researched, specifically their fruit endophytes. We aimed to isolate and analyze easily cultivable blueberry fruit endophytes to help in future research, concerning probiotic microorganisms. Twelve strains were isolated in this pilot study, genetically homologous with Staphylococcus hominis, Staphylococcus cohnii, Salmonella enterica, Leuconostoc mesenteroides, and [Candida] santamariae. To determine the molecular composition of these isolates we used label-free surface-enhanced Raman spectroscopy (SERS). To our knowledge, this is the first time that SERS spectra for L. mesenteroides and C. santamariae are presented, as well as the first report of Candida yeast, isolated specifically from blueberry fruits. Our findings suggest that the differences in tested yeast and bacteria SERS spectra and subsequent differentiation are facilitated by minor shifts in spectral peak positions as well as their intensities. Moreover, we used principal component and discriminant function analyses to differentiate chemotypes within our isolate group, proving the sensitivity of the technique and its usefulness to recognize different strains in plant-associated microbe samples, which will aid to streamline future studies in biofertilizers and biocontrol agents. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：Copper nanostructures have attracted more and more attention due to low preparation cost, similar thermal conductivity and optical characteristics to silver nanostructures. A novel macroscopic dendritic copper nanonoodles with the length of 3-50 mm prepared by solid-state ionics method at 10 mu A direct current electric field (DCEF) using fast ionic conductor RbCu4Cl3I2 films was reported. The surface-enhanced Raman scattering (SERS) performance of prepared copper nanonoodles was detected by crystal violet (CV) and rhodamine B (RB) aqueous solution as analyte molecules. The results present that the copper nanonoodles assembled by short-range order copper nanowires and the diameters of nanowires changed from 20 nm to 80 nm, many regularly arranged nanoparticles with the diameter from 5 to 10 nm existed on the prepared copper nanonoodles, which lead to the nanonoodles have high surface roughness. The copper nanonoodles contain only Cu element, no O element and the fractal dimension of copper nanonoodles is 1.355 because of macroscopic dendritic structures. The prepared copper nanonoodles composed of pure Cu have high surface roughness and the free electrons on the rough copper nanonoodles resonate with the atomic nuclei inside the copper nanonoodles to form a locally enhanced electromagnetic field under the excitation of incident light, so the limiting concentrations for CV and RB detected by the prepared copper nanonoodles are as low as 1 x 10(-11) mol/L and 1 x 10(-12) mol/L, respectively. The centimeter-scale copper nanonoodles with low limiting concentration of analyte molecules can be used to detect harmful food additives. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：As a common problem in snap beans, hard seed has seriously affected the large-scale industrial planting and yield of snap bean. To realize accurate, quick and non-destructive identifying the hard seeds of snap bean is of great significance to avoiding the effects of hard seeds on germination and growth. This research was based on hyperspectral imaging (HSI) to achieve accurate detection of hard seeds of snap bean. This study obtained the characteristic spectra from the hyperspectral image of a single seed, and then combined the synthetic minority over-sampling technique (SMOTE) and Tomek links to balance the numbers of hard and non-hard seed samples. The characteristic wavelengths were extracted from the average spectrum. Then the average spectrum was processed by first derivative (1D). After that, the characteristic wavelengths could be extracted using successive projections algorithm (SPA). Finally, a radial basis function-support vector machine (RBF-SVM) model was established to realize the intelligent detection of hard seeds, and the detection accuracy rate reached 89.32%. The research results showed that HSI technology could achieved accurate, fast and non-destructive testing of the hard seeds of snap bean, which is of great significance to the large-scale and standardized planting of snap bean and increase the yield per unit area. (C) 2022 Elsevier B.V. All rights reserved.
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