查看更多>>摘要：In this work, a serials of PS(polystyrene)/Cu2S/Ag sandwich substrates were successfully constructed using the magnetic sputtering method by adjusting the Ag sputtering time (0 min, 2 min, 4 min, 6 min, 8 min and 10 min) and used as the surface-enhanced Raman scattering (SERS) substrates. When the Ag sputtering time was 6 min, the strongest SERS signal was observed. The optimized SERS substrate has strong SERS activity on 4-mercaptobenzoic acid (4-MBA), the minimum detection limit was 10(-13) M and the enhancement factor was as high as 4.7 x 10(7). In addition, the SERS signals were highly reproducible with small standard deviation. The SERS enhancement mechanism of the PS/Cu2S/Ag system was attributed to the synergistic effect of the chemical mechanism and the electromagnetic enhancement mechanism. This strategy has find a new way for manufacturing SERS activity sensor with high sensitivity and reproducibility. (C) 2021 Elsevier B.V. All rights reserved.
Losso, KlemensBec, Krzysztof B.Mayr, SophiaGrabska, Justyna...
10页
查看更多>>摘要：This study describes a newly developed method for the fast and straightforward differentiation of two turmeric species using Direct Analysis in Real Time mass spectrometry and miniaturized Near Infrared spectroscopy. Multivariate analyses (PCA and LDA) were performed on the mass spectrometric data, thus creating a powerful model for the discrimination of Curcuma longa and Curcuma xanthorrhiza. Cross validation of the model revealed correctness-scores of 100% with 20-fold as well as leave-one-out validation techniques. To further estimate the models prediction power, seven retail samples of turmeric powder were analyzed and assorted to a species. Looking for a fast, non-invasive, cost-efficient and laboratory independent method, miniaturized NIR spectrometers offer an alternative for quality control of turmeric species. However, different technologies implemented to compensate for their small size, lead to different applicability of these spectrometers. Therefore, we investigated the three handheld spectrometers microPHAZIR, MicroNIR 2200 and MicroNIR 1700ES for their application in spice analysis in hyphenation to PCA, LDA and ANN methods used for the discriminant analysis. While microPHAZIR proved to be the most valuable device for differentiating C. longa and C. xanthorrhiza, MicroNIR 1700ES offered the worst results. These findings are interpreted on the basis of a quantum chemical simulation of the NIR spectrum of curcumin as the representative constituent. It was found that the information accessible to MicroNIR 1700ES that is relevant to the analyzed constituents is located in the spectral region prone to interferences with the matrix, likely limiting the performance of this spectrometer in this analytical scenario. (c) 2021 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
查看更多>>摘要：As a new member of the nanomaterials family, ultrasmall graphene quantum dots (GQDs) have shown broad application prospects in the field of biomedicine, but the analysis of their biological effects at the molecular level is yet limited. Herein, carbonic anhydrase (CA) was selected as a model protein to assess the interactions between GQDs and biomacromolecules. A range of spectroscopic techniques were employed to systematically investigate the binding interactions between GQDs and CA and the catalytic function of CA in the presence of GQDs was evaluated. Experimental results showed that GQDs could quench the intrinsic fluorescence of CA and the concentration dependent quenching efficiency exhibited an obvious deviation from the linear plot, indicating a static binding mode. Further investigation suggested that van der Waal interactions and hydrogen bonding were the main driving forces. Additionally, circular dichroism measurement showed that the binding of GQDs induced slight conformational changes of CA. The catalytic capability assessment proved that these binding interactions resulted in the reduction of the biological functions of CA. This comprehensive study provided important insight into the interaction of GQDs with biomacromolecules, which would be crucial for the further applications of GQDs and other nanomaterials in the biomedical field. CO 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：Scopolamine is used to treat various CNS disorder like urinary incontinence, motion sickness, spasmic movements. Despite its pharmaceutical properties, its interaction with DNA is not yet reported. In this article, the interaction between scopolamine and ct-DNA is reported using a combination of biophysical techniques. UV-visible and steady-state fluorescence spectroscopy were used to study interaction and complex formation. Competitive displacement assays and potassium iodide quenching confirmed the mode of binding between scopolamine and DNA. Structural changes induced in the ct-DNA in the presence of scopolamine were evaluated by CD spectroscopy. The plasmid nicking and NBT assay confirmed the genotoxic effect of scopolamine. In-silico study by molecular docking and molecular dynamics simulation revealed the mode of interaction, major stabilizing forces as well as the nucleotide sequences to which the scopolamine binds. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：The present study reports the spectroscopic characterization and second hyperpolarizability of odd spin states of acetonitrile in gas phase and water solvent. The odd spin states of acetonitrile are singlet, triplet and quintet spin state of acetonitrile have been considered for the study. The spectroscopic characterization viz. energy, geometrical parameters, infrared and electronic absorption spectra, molecular orbitals (MOs) their energies and natural transitions orbitals (NTOs) in gas phase and water solvent state reported at B3LYP/aug-cc-pVDZ level of theory. The second hyperpolarizability values are obtained using various methods and basis sets for comparison. It has been observed that the second hyperpolarizability values for the odd spin states of acetonitrile are more positive than the first hyperpolarizability. It is clearly seen that the effect of spin on spectroscopic parameters except on energy. The singlet gas phase acetonitrile calculations are well matching with the available experimental determinations. The TDDFT approach has been used to study electronic absorption spectra of all spin states of acetonitrile in gas phase and in water solvent. The IEFPCM model implemented in studying acetonitrile in water solvent at B3LYP/ aug-cc-pVDZ level of theory. It is observed that HOMO to LUMO gap is larger for singlet than the triplet and quintet spin state and it decrease with an increase in strength of an applied field. All these calculations performed using Gaussian 16 program package. (c) 2021 Published by Elsevier B.V.
查看更多>>摘要：Metal-organic framework (MOF) MOF-Fe nanosols were prepared, which exhibits strongly catalysis of the new fluorescence indicator reaction of 3, 3', 5, 5'-tetramethylbenzidine (TMB)-H2O2 to produce the oxidation product TMBOX. The TMBOX fluorescent probe has a strong fluorescence peak at 405 nm. After optimizing the various conditions for the determination of H2O2 system and glucose system, the linear range of fluorescence determination of H2O2 was 0.75-7.5 mu M, and the detection limit was 0.3 mu M. Since H2O2 is the product of glucose oxidase (GOD) catalyzed oxidation of glucose, and a simple and convenient fluorescence method was also established for glucose. The results show that the glucose concentration in the range of 0.2-20 uM has a good correlation with the fluorescence intensity, and the detection limit of glucose was 0.1 mu M. This method has been used to detect the content of glucose in drinks with satisfactory results. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：In this work, a strong blue-emitting fluorescent biosensor based on graphite carbon nitride nanoparticles (GCNNs) (E-x = 340 nm and E-m = 435 nm) was synthesized by a facile one-step hydrothermal method. With the aid of hydrogen peroxide and horseradish peroxidase, pyrocatechol structure of dopamine (DA) was oxidized to o-quinone structure of polydopamine (PDA) by hydroxyl radical. PDA was able to rapidly and significantly quench fluorescence of GCNNs. In the meanwhile, oxidative self-polymerization from DA to PDA would be blocked by antioxidants, such as glutathione (GSH) and ascorbic acid (AA). Thus, the fluorescence of GCNNs@DA sensor would be recovered owing to the decrease of oquinone. Based on above-mentioned dual recognition strategy of "turn-off" and "turn off-on", a fast, simple and ultrasensitive method was developed to measure DA and antioxidants. Under the optimal experimental conditions, the detection limits of DA, GSH and AA were 0.064 mu mol L-1, 0.11 mu mol L-1 and 0.16 mu mol L-1 with relative standard deviations of 1.7%, 9.3% and 8.0%, respectively. As one of metal-free quantum dots, our GCNNs-based sensors were also successfully applied to the determination of DA as well as GSH and AA in human serum. The recoveries for the spiked samples were in the range of 93.8%-109% and 95.0%-110% of DA and antioxidants, which shows great promise to clinical application. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：The photoinduced tautomerization reactions via hydrogen atom transfer in the excited electronic state (ESHT) have been computationally investigated in 2,7-diazaindole (27DAI) - (H2O)(1-3) and 27DAI - (NH3)(1-3) isolated clusters to understand the role of various solvent wires. Two competing ESHT reaction pathways originating from the N(1)-H group to the neighbouring N(7) (R(1H-Sn-7H)) and N(2) (R(1H-Sn-2H)) atoms were rigorously examined for each system. Both one-and two-dimensional potential energy surfaces have been calculated in the excited state to investigate the pathways. The R(1H-Sn-7H) was found to be the dominant route with reaction barriers ranging from 26-40 kJmol(-1) for water clusters, and 14-26 kJmol(-1) for ammonia clusters. The barrier heights for ammonia clusters were found to be nearly half of the that observed for the water systems. The lengthening of the solvent chain up to two molecules resulted in a drastic decrease in the barrier heights for R(1H-Sn-7H). The barriers of the competing reaction channel R(1H-Sn-2H) were found to be significantly higher (31-127 kJmol(-1)) but were observed to be decreasing with the lengthening of the solvent wire as in the R(1H-Sn-7H) pathway. In both the reactions, the angle strain present in the transition state structures was dependent upon the solvent chain's length and was most likely the governing factor for the barrier heights in each solvent cluster. The results have also affirmed that the ammonia molecule is a better candidate for hydrogen transfer than water because of its higher gas-phase basicity. The results delineated from this investigation can pave the way to unravel the excited-state hydrogen atom transfer pathways in novel N-H bearing molecules. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：A new and highly sensitive and selective phenanthridine based sensor, 9-(7,8,13,14-tetrahydrodibenzo[a, i]phenanthridin-5-yl)benzo[h]quinolin-10-ol (PHBQ), was developed for the fluorescent "turn-on"detec-tion of Th4+ ion in acetonitrile: water (8:2) medium. The fluorescence intensity of PHBQ diminished in the region of pH 1 to 3 and could be recovered by adjusting the pH to above 4. The sensor PHBQ showed dis-tinct spectral changes in response to Th4+ ion over other competitive metal ions. The fluorescence displayed good linearity with the Th4+ concentration in the equivalence of 0-0.5 equivalents. The detection limit was calculated to be as low as 99 nM, which was less than that of previously reported sen-sors. The recognizing mechanism of PHBQ towards Th4+ was investigated in detail using HR-MS, NMR, and IR spectroscopy. The economically viable Whatman filter paper was fabricated with PHBQ to develop a paper-based fluorescence kit to detect the Th4+ in an aqueous medium efficiently. Furthermore, the application of sensor ligand in fluorescence imaging was studied in E-coli cells due to its minimal cyto-toxicity and good optical properties. The obtained data suggest that the ligand PHBQ can be used as a fluorescent sensor for tracking Th4+ in multiple applications. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：Sulfur quantum dots (S-dots) show great potential for applications in various field, due to their favorable biocompatibility, high stability, and antibacterial properties. However, the use of S-dots in chemical sensing is limited by the lack of functional groups on the surface. In this work, a fluorescence glutathione (GSH) assay is developed based on the GSH modulated quenching effect of Cu2O nanoparticles (NP) on S-dots. The fluorescence of S-dots is effectively quenched after forming complex with Cu2O NP through a static quenching effect (SQE). Introducing of GSH can trigger the decomposition of Cu2O NP into GSH-Cu(I) complex, which leads to the weaken of SQE and the partial recover of the fluorescence. The intensity of recovered fluorescence shows a positive correlation with the concentration of GSH in the concentration range of 20 to 500 mu M. The fluorescence GSH assay shows excellent selectivity and robustness towards various interferences and high concentration salt, which endow the successful detection of GSH in human blood sample. The presented results provide a new door for the design of fluorescence assays, which also provides a platform for the applications in nanomedicine and environmental science. (C) 2021 Elsevier B.V. All rights reserved.
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