查看更多>>摘要：A convenient and sensitive resonance Rayleigh scattering (RRS) method for the detection of chitosan (CTS) has been developed via forming Cu-Zn supramolecular complex by complexation reaction, hydrophobic force and electrostatic attraction. The microstructure of the complex was characterized by FT-IR, zeta potential, scanning electron microscope (SEM), UV-vis and RRS. Furthermore, the interaction mechanism among Cu(II), Zn(II), CTS and sodium dodecyl benzene sulfonate (SDBS) was studied. The results revealed that CTS and Cu(II) or Zn(II) formed a supramolecular complex with RRS enhancement in weak acid condition. In the presence of SDBS, the RRS intensity of CTS-Cu(II)-SDBS or CTS-Zn(II)-SDBS was significantly higher than that of the binary system without SDBS at the same CTS concentration. The RRS intensity of CTS-Cu(II)-Zn(II)-SDBS was higher than that of CTS-Cu(II)-SDBS and CTS-Zn(II)-SDBS. The RRS intensity increased linearly with the increase of CTS concentration made it possible to determine CTS quantitatively. In the range extending from 0.10 to 5.00 mu g/mL, the equation of linear regression was Delta I=1848.8c-138.3 with a correlation coefficient 0.9996, and the detection limit was estimated to be 37.96 ng/mL. The study was successfully applied for the determination of CTS in health food samples, suggesting its great potential toward CTS analysis. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：The residue problem in animal food products caused by the abuse of chlortetracycline (CTC) is one of the food safety issues that have attracted much attention. Herein, a composite was generated by embedding CdTe quantum dots (QDs) into ZIF-8 for ratiometric fluorescent analysis of CTC. With adding CTC, the green luminescence of CTC appeared under the sensitization effect of Zn2+ in ZIF-8, but the red luminescence of CdTe QDs was reduced by the inner filtration effect of CTC. On this basis, CTC was detected by the composite with a short response time of 1 min, and the limit of detection was calculated to be 37 nM that was 17 times lower than the maximum residue limit of CTC in animal food products (626 nM). Excellent recyclability of the composite was also observed, and CTC was consecutively measured at least six times. The composite was used to determine CTC in basa fish and pure milk with satisfactory recoveries (91.0-110.0%). Portable test strips were further manufactured and the visual determination of CTC was obtained. These results convictively demonstrate that CdTe QDs@ZIF-8 composite as a recyclable ratiometric fluorescent sensor achieves the rapid and sensitive measurement of CTC residue in animal food products. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：Glycerol is an important quality indicator for foodstuffs. There is an increasing request for one more accurate, reliable, and convenient detection of the glycerol concentrations. Terahertz radiation is highly sensitive to the low-frequency intermolecular interactions between the glycerol and waters. Considering the enhancement property of localized field from the metamaterials, terahertz spectroscopy has been utilized for the determination of glycerol content with metamaterial-based biosensor, where the interaction between the analyte and the terahertz wave can be greatly increased. But the quantitative sensing performance was poor due to the sensitivity limitation of single-mode resonance of metamaterial and the lack of appropriate modeling methods. We propose the optimized structural design with internal coupling and multiple resonances. The induced remarkable changes in the lineshape of different transmitted dip regions imply that our metastructure biosensor is of high sensitivity to the change of surrounding environment on the surface dielectric constant, which has been also verified by coupled Lorentz oscillator theory. Furthermore, the optimal partial least squares regression model with variables of spectral lineshape for the first dip region covering the frequency range of 0.45-0.85 THz was established. It shows more accurate and reliable predictions of glycerol concentrations with residual predictive deviation value of 6.095. Metamaterial-based terahertz spectroscopy combined with statistical modeling with lineshape features can provide one new strategy for quantitative sensing. It has great potential for the improvement of determination of analyte concentrations in the practical applications of food, pharmaceutical or cosmetic area. (C) 2022 Elsevier B.V. All rights reserved.
Starodub, Vladimir A.Barszcz, BoleslawStarodub, Tetiana N.Mizera, Adam...
12页
查看更多>>摘要：The (N-Xy-Qn)(TCNQ)(2) anion-radical salt characterized by tetramerized stacks of the TCNQ acceptor molecules has been synthesized and characterized using vibrational spectroscopy and electrical resistivity measurements. The bond lengths analysis based on the crystal structure data, indicates that the TCNQ molecules are non-uniformly charged with -0.83 e localized on the inner B molecules and -0.33 e on the outer A molecules within ABBA tetramers. Both infrared and Raman spectra of (N-Xy-Qn)(TCNQ)(2) are dominated by vibrational modes of TCNQ and display splitting related to the tetramerized structure. Many of these features are affected by the strong electron-molecular vibration (EMV) coupling. Other charge-sensitive modes allowed estimation of charge localized on TCNQ, with the results that confirm the charges estimated on basis of the crystal data. Electrical measurements revealed the low-conducting behavior with room temperature conductivity value of 2.6 mS cm(-1) and temperature dependence of resistivity that can be explained within the band conduction model. The calculated activation energies range from 0.169 eV to 0.187 eV, depending on the crystallographic direction and thermal history of the sample. (C) 2021 Elsevier B.V. All rights reserved.
Shan, XiaoLee, LindaClewes, Rhea J.Howle, Christopher R....
17页
查看更多>>摘要：The infrared (IR) spectra of fentanyl, carfentanil and remifentanil, and protonated salts, are computed using quantum chemistry methods. New experimental FTIR spectra are also reported and compared to the calculations. The accuracy of two density functional theory methods, B3LYP and M06-2X, are tested against higher level theories (MP2) and the experimental data. Gas phase IR spectra are calculated for both the neutral and protonated molecules in order to compare with the experimental data measured for various salts of fentanyl and its analogues. Key vibrational modes are selected and studied in detail using a vibrational mode locality calculation. The main contributing atomic movements in these vibrational modes are identified. Crown Copyright (C) 2022 Published by Elsevier B.V.
de Palaminy, LouiseDaher, CelineMoulherat, Christophe
10页
查看更多>>摘要：This paper aims to develop a non-destructive methodology applicable to heritage artifacts in order to discriminate between different species of wild silks. Wild silks are less known than domestic silk from Bombyx mori, but they are numerous and have been used in textile weaving for thousands of years. Archaeological artifacts, museum artifacts, and ethnographic collections deserve to be better documented regarding wild silks. The developed methodology is based on Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR-FTIR) coupled with chemometric analyses such as Principal Component Analysis (PCA) and Hierarchical Cluster Analysis (HCA). Discriminant statistical analysis has enabled within a corpus of wild silks, including cocoons from the collections of the musee du quai Branly-Jacques Chirac (Paris, France), to differentiate cocoons of the species Borocera madagascariensis (Lasiocampidae) from samples belonging to the Saturniidae family. These very encouraging results are promising for future studies involving more species and more diverse artifacts. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：Previously, we successfully realized the identification of a single species of bacteria based on the multi-wavelength transmission spectrum of bacteria. The current research is focused on realizing the spectral analysis of mixed bacteria. Principal component analysis-Monte Carlo (PCA-MC) model was developed for the implementation of spectral separation of mixed bacteria by obtaining the ratio of components. And, the separated spectrum was regarded as the model input of the neural network concentration inversion model to obtain the concentration of each bacteria in the mix. Mean relative errors in component analysis of mixing S.aureus with K.pneumoniae, mixing S.aureus with S.typhimurium twice, mixing K.pneumoniae with S.typhimurium are 3%, 2%, 3.9% and 6.1%, respectively. The coefficient of determination (R-2) of validation set and test set are 0.9947 and 0.9954 in concentration inversion model. The results show that this method can quickly and accurately determine the component ratio and concentration information in the mixed bacteria. A new method was proposed to separate the spectrum of mixed bacteria effectively and measure its concentration quickly, which makes a big step forward in the detection and online monitoring of waterborne microbial contamination based on multi-wavelength transmission spectroscopy. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：In this study, a highly sensitive visual colorimetric sensor was designed for the detection of trichlorfon based on inhibiting ascorbate oxidase (AAO)-induced metallization of gold nanorods (Au NRs). Ascorbic acid (AA) can reduce silver ion (Ag+) to metal silver (Ag) that will be deposited on the surface of Au NRs, which results in the blue shift of longitudinal localized surface plasmon resonance (LSPR) peak of Au NRs, accompanying by perceptible color changes from red to cyan to red to yellow. In the presence of trichlorfon, the activity of AAO will be inhibited, resulting in less AA is hydrolyzed to dehydroascorbic acid (DHA), and therefore more Ag+ is reduced to Ag by AA. Under the optimized conditions, detection of trichlorfon has a wide linear range of 27.8-11111.1 mu g/L with a limit of detection as low as 132.6 ng/L. Moreover, the sensor has a good sample spiked recovery (84.7-96.8%) for the determination of trichlorfon in lake water samples. The proposed method can achieve rapid analysis (about 10 min) of trichlorfon with simple operation when there are no other types of organophosphorus pesticides in the real samples. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：Amino acids play a very important role in the fields of pharmacy and biochemistry, and the identification of amino acid enantiomers has become a research hotspot. In this study, chiral nanomaterials ZnFe2O4-L-Cys (Cys = cysteine) were prepared by the mechanical stirring method and characterizad by different kinds of techniques. The effect of pH and Cu2+ on the recognition of tryptophan by chiral nanomaterials ZnFe2O4-L-Cys was further explored by ultraviolet-visible spectroscopy. The experimental results show that when the pH of the recognition environment is neutral, ZnFe2O4-L-Cys can be used as chiral selectors for tryptophan enantiomers in the presence of Cu2+ and the absorbance of L-Trp is always stronger than D-Trp within a certain concentration range, which provides a novel and convenient way for the chiral recognition of tryptophan enantiomers. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：Plasmon-enhanced photocatalysis has attracted considerable attention due to its low energy consumption and high energy throughput. Surface-enhanced Raman scattering (SERS) is a highly sensitive and label-free nondestructive tool to investigate plasmon-driven photocatalytic reactions. Herein, we present a facile method to fabricate gap-controlled Ag nanoparticle (NP) arrays with uniform and high-density distribution of hot spots, which can be employed as both efficient plasmonic photocatalysts and stable SERS platforms. The plasmon-driven catalytic reaction of 4-nitrobenzenethiol (4NBT), which transforms it into p, p'-dimercaptoazobenzene (DMAB), is detected by using an in situ SERS technique at the excited wavelength of 785 nm. According to the temperature and laser power density dependent photocatalytic reaction rates observed on the Ag NP arrays, we quantitatively determined that the reductive coupling of 4NBT is more likely to occur as the gap decreases. The finite-difference time-domain (FDTD) simulation results demonstrate that the plasmonic hot spots are significantly enhanced with a decrease in gap, which in turn reduces activation energy. The gap-controlled Ag NP arrays are efficient for both promotion and detection of plasmon-driven catalytic reactions, and may pave a pathway for implementing efficient plasmonic photocatalytic platforms. (C) 2021 Elsevier B.V. All rights reserved.
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