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Spectrochimica acta
Pergamon
Spectrochimica acta

Pergamon

1386-1425

Spectrochimica acta/Journal Spectrochimica acta
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    Four chemometric spectrophotometric methods for simultaneous estimation of amlodipine besylate and olmesartan medoxomil in their combined dosage form

    Kamal, Amira H.Hammad, Sherin F.Kamel, Doaa N.
    6页
    查看更多>>摘要:For determination of amlodipine besylate (AML) and olmesartan medoxomil (OLM) at the same time, four UV chemometric spectrophotometric techniques were created and tested in accordance with ICH standards. Method (I) was absorption subtraction method (ASM) using two wavelengths, one of which was of AML at 365 nm and the other was the isoabsorptive point of both drugs at 237 nm. Method (II) was ratio subtraction method (RSM) for determination of OLM at lambda(max) = 254 nm by taking the ratio spectrum and subtracting the constant values using 10 mu g/mL of AML as a divisor in combination with extended ratio subtraction method (ERSM) to determine AML at lambda(max )= 239 nm using 10 mu g/mL OLM as a divisor. Method (III) was dual wavelength method; the wavelengths used to determine OLM were 221 nm and 235 nm, while those used to determine AML were 246 nm and 259 nm. Method (IV) was the second order derivative (D-2) spectrophotometric method at 219 nm for OLM and 227 nm for AML. The proposed approaches were used to achieve linearity in the concentration range of 2-25 mu g/mL for both drugs. The approaches were found to be uncomplicated, reproducible, efficient, and cost-effective as well as they were successfully used to determine the cited drugs in both laboratory samples and commercial pharmaceutical formulations. (C) 2021 Elsevier B.V. All rights reserved.

    Characterization of atmospheric aerosols in the Antarctic region using Raman Spectroscopy and Scanning Electron Microscopy

    Marina-Montes, CesarPerez-Arribas, Luis, VFdez-Ortiz de Vallejuelo, SilviaAramendia, Julene...
    9页
    查看更多>>摘要:The non-destructive spectroscopic characterization of airborne particulate matter (PM) was performed to gain better knowledge of the internal structures of atmospheric aerosols at the particle level in the Antarctic region, along with their potential sources. PM and soil samples were collected during the 2016-2017 austral summer season at the surroundings of the Spanish Antarctic Research Station "Gabriel de Castilla" (Deception Island, South Shetland Islands). PM was deposited in a low-volume sampler air filter. Raman spectroscopy (RS) and Scanning Electron Microscopy with Energy-Dispersive X-ray Spectroscopy (SEM-EDS) were used to determine the elemental and molecular composition of the individual aerosol and soil particles. Filter spectra measured by these techniques revealed long-range atmospheric transport of organic compounds (polystyrene and bacteria), local single and cluster particles made of different kinds of black carbon (BC), exotic minerals (polyhalite, arcanite, niter, ammonium nitrate, syngenite and nitrogen, phosphorus, and potassium (NPK) fertilizer), and natural PM (sea salts, silicates, iron oxides, etc.). In addition to the filter samples, forsterite and plagioclase were discovered in the soil samples together with magnetite. This is the first report of the presence of a microplastic fiber in the Antarctic air. This fact, together with the presence of other pollutants, reflects that even pristine and remote regions are influenced by anthropogenic activities. (c) 2021 Elsevier B.V. All rights reserved.

    A near-infrared fluorescent probe based on the hemicyanine skeleton for the detection of hydrogen peroxide in vivo

    Wang, ShengZhang, YuWang, Tian-RanLiu, Yu-Jun...
    7页
    查看更多>>摘要:As a member of the reactive oxygen species, hydrogen peroxide (H2O2) plays critical roles in oxidative stress and cell signaling. Intracellular abnormal levels of H2O2 production are closely related to many diseases. Therefore, the real-time monitoring of H2O2 in the cells is important. In this work, we designed a novel fluorescent probe (Mito-H2O2) for the specific detection of H2O2 based on the hemicyanine skeleton, with bright near-infrared fluorescence emission. Mito-H2O2 displayed fast response, excellent water-solubility and great fluorescence intensity enhancement after the addition of H2O2. Furthermore, Mito-H2O2 has been successfully applied to image both of the exogenous and endogenous H2O2 in cells and mice with negligible cytotoxity. (C) 2021 Elsevier B.V. All rights reserved.

    A colorimetric and ratiometric photometric sequential assay for ascorbic acid and alkaline phosphatase in serum based on valence states modulation

    Huang, MinGeng, FenghuaShao, CongyingWang, Yongxiang...
    8页
    查看更多>>摘要:The photometric method is widely used in real clinical tests due to its simple operation, low cost and convenient. Many of the reported colorimetric ALP assays so far are non-ratiometric because the detection was based on changes in absorbance at a single wavelength. The development of novel colorimetric and ratiometric assay is of importance for quantitatively measuring target with high accuracy. The challenge in the design of ratiometric photometric assay is that the chromophore must have a significant spectral shift before and after binding to the target. Here, we report a colorimetric and ratiometric photometric sequential assay of AA and ALP based on the complexation between ARS and Cu2+ and redox reaction between AA and Cu2+. The absorption band of ARS centered at 425 nm (yellow color), which could be shifted to 510 nm (red color) upon Cu2+ binding. However, as far as we know, this classic color reaction has not been used to develop a ratiometric photometric method to sequentially detect AA and ALP, although photometric methods based on the regulation of other color reagents with oxidizing metal ions have been reported. The proposed sensing system shows a limit of detection for ALP at 0.24 U L-1 and could be applied for detecting ALP in newborn calf serum. The established sensing system makes a useful contribution to the detection of ALP in complex clinical samples. (C) 2021 Elsevier B.V. All rights reserved.

    Determination of methomyl in grain using deep eutectic solvent-based extraction combined with fluorescence-based enzyme inhibition assays

    Guo, YanWang, HuihuiChen, ZhenjiaJing, Xu...
    7页
    查看更多>>摘要:A deep eutectic solvent (DES)-based extraction method is established to facilitate the determination of methomyl in grain via enzyme inhibition fluorescence. The environmentally-friendly DES was synthesized from proline and ethylene glycol and used as a green replacement for traditional extraction solvents that are generally toxic. The DES was added to grain samples and vortex extraction of methomyl, the supernatant was then collected for fluorescence detection. Biomass carbon quantum dots (CQDs) synthesized from millet were used as fluorescent probes. Acetylcholinesterase catalyzes the hydrolysis of acetylthiocholine iodide to thiocholine. The positively-charged thiocholine interacts electrostatically with the negatively-charged quantum dots resulting in the quenching of their fluorescent emission. The pesticide extract solution blocks the enzyme activity and thus recovers the fluorescent from the quantum dots. The fluorescence response was correlated with the amount of methomyl residue in the grain over the range 0.01 to 5 mg kg(-1). The limit of detection was found to be 0.003 mg kg(-1), and the limit of quantification 0.01 mg kg(-1). Recoveries of 86.5% to 107.8% were obtained using real samples, including millet, rice, wheat, and barley, with a relative standard deviation of less than 3.8%. The method is efficient and convenient and has good application prospects for extracting and detecting pesticides in grain samples. (C) 2021 Elsevier B.V. All rights reserved.

    Fine-tuning directionality of ESIPT behavior of the asymmetric two proton acceptor system via atomic electronegativity

    Liang, XiuningFang, Hua
    11页
    查看更多>>摘要:The excited state intramolecular proton transfer (ESIPT) processes and photophysical features of 3-(benzo [d]oxazol-2-yl)-2-hydroxy-5-methoxy benzaldehyde (BOHMB) and 3-(benzo[d]selenazole-2-yl)-2-hydr oxy-5-methoxy benzaldehyde (BSeHMB) molecules were investigated in detail by using density functional theory (DFT) and time-dependent DFT (TD-DFT) methods. The strengthened excited state hydrogen bonds (H-bond) of the title compounds are favorable to ESIPT process according to the analyses of structural parameter, infrared vibration frequency, electron density and reduced density gradient. The atomic substitution changes the intramolecular H-bond O-1-H-2 center dot center dot center dot O-3 and O-1-H-2 center dot center dot center dot N-4 and the fluorescence emission peaks of BOHMB-N and BSeHMB-N in normal and tautomer forms. The potential energy curves indicate that the ESIPT energy barriers of BOHMB-O, BTHMB-O and BSeHMB-O increase as the electron-withdrawing abilities of atoms (from O to S and Se) are gradually weakened. However, the ESIPT energy barriers of BOHMB-N and BTHMB-N follow the totally opposite order. For BOHMB and BSeHMB, ESIPT process prefers to occur in the direction from O-H group to the O atom. (C) 2021 Elsevier B.V. All rights reserved.

    A trace CH4 detection system based on DAS calibrated WMS technique

    Dang, JingminZhang, JunheDong, XinjuKong, Lijuan...
    7页
    查看更多>>摘要:We report the development of a compact near-infrared (NIR) laser-based trace methane (CH4) detection system. This detection system relied on a 2334 nm distributed feedback (DFB) fiber laser as the light source. A parallel dense light-spot pattern multipass gas cell (MGC) with 41.5 m effective absorption path length was utilized to improve the system sensitivity. A self-calibration approach based on direct absorption spectroscopy (DAS) calibrated wavelength modulation spectroscopy (WMS) technique was employed to solve the problem of extra concentration calibration requirement in traditional WMS technique, and to improve the accuracy and stability of the system. According to the Allan deviation analysis, 1-s measurement precision of 0.61 ppmv for DAS and 0.16 ppmv for WMS was obtained, which could be further reduced to 0.11 ppmv for DAS and 0.03 ppmv for WMS by averaging up to 80 s and 50 s, respectively. A week-long continuous atmospheric CH4 concentration measurement was also carried out to demonstrate the long-term performance of our CH4 detection system. With a fast dynamic response characteristics, high-accuracy and high-sensitivity, the proposed detection system is suitable for CH4 measurement in many fields such as atmospheric chemistry analyzation, industrial safety monitoring, agricultural information acquisition, etc. (C) 2021 Elsevier B.V. All rights reserved.

    Optimizing the framework of indolium hemicyanine to detect sulfur dioxide targeting mitochondria

    Chao, JianbinWang, ZhuoZhang, TingZhang, Yongbin...
    9页
    查看更多>>摘要:Endogenous sulfur dioxide (SO2) is mainly produced by the enzymatic reaction of sulfur-containing amino acids in mitochondria, which has unique biological activity in inflammatory reaction, regulating blood pressure and maintaining the homeostasis of biological sulfur. It is more and more common to detect monitor SO2 levels by fluorescence probe. In recent years, the indolium hemicyanine skeleton based on the D -p-A structure has been widely used in the development of fluorescent sensors for the detection of SO2. However, subtle changes in the chemical structure of indolium may cause significant differences in SO2 sensing behavior. In this article, we designed and synthesized two probes with differ-ent lipophilicities to further study the relationship between the structure and optical properties of hemi-cyanine dyes. On the basis of previous studies, the structure of indolium hemicyanine skeleton was optimized by introducing -OH group, so that MC-1 and MC-2 had the best response to SO32- in pure PBS system. In addition, the lipophilicity of MC-2 was better than that of MC-1, which enabled it to respond quickly to SO32- and better target mitochondria for SO2 detection. Most importantly, the low detection limits of MC-1 and MC-2 conducive to the detection of endogenous SO2. This work provided an idea for developing SO2 fluorescent sensors with excellent water solubility and low detection limit. (C) 2021 Published by Elsevier B.V.

    Waste derived approach towards wealthy fluorescent N-doped graphene quantum dots for cell imaging and H2O2 sensing applications

    Bhakare, Madhuri A.Chakraborty, GoutamRay, Alok K.Dandekar, Prajakta...
    9页
    查看更多>>摘要:Herein, we report the synthesis of a highly fluorescent nitrogen doped graphene quantum dots (N-GQDs) from waste precursors such as melamine sponge and arjuna bark via a microwave treatment and its functional and morphological characterization using various spectroscopy techniques such as optical, FTIR, XPS and TEM. The as-prepared aqueous N-GQD (dia. 2-3 nm) was used for the bio-imaging application using breast carcinoma cell line (MDA-MB-231) as a model, and the locations of all cells in the cytoplasm as well as nuclei were observed to stain brightly in blue fluorescent color successfully. In addition to that, the aqueous N-GQD showed fluorescence quenching behavior in the presence of hydrogen peroxide, which was exploited to sense H2O2, a probable toxin generated in the diseased cells. Importantly, the cell cytotoxicity was measured and found to be non-toxic (70% survival) to the MDA-MB-231 cells even at very high concentration (similar to 1.8 mg/ml) of the synthesized N-GQD. This study revealing excellent biocompatibility and imaging of the model cancer cells, and sensing of H2O2 by fluorescent quenching, indicates potential in-vivo cell culture applications of the prepared fluorescent N-GQD. (C) 2021 Elsevier B.V. All rights reserved.

    Distinguishing cotton seed genotypes by means of vibrational spectroscopic methods (NIR and Raman) and chemometrics

    da Mata, Mayara MacedoRocha, Priscila DantasTeles de Farias, Ingrid KellyBrasil da Silva, Juliana Lima...
    10页
    查看更多>>摘要:The use of vibrational spectroscopy, such as near infrared (NIR) and Raman, combined with multivariate analysis methods to analyze agricultural products are promising for investigating genetically modified organisms (GMO). In Brazil, cotton is grown under humid tropical conditions and is highly affected by pests and diseases, requiring the use of large amounts of phytosanitary chemicals. To avoid the use of those pesticides, genetic improvement can be carried out to produce species tolerant to herbicides, resistant to fungi and insects, or even to provide greater productivity and better quality. Even with these advantages, it is necessary to manage and limit the contact of transgenic species with native ones, avoiding possible contamination or even extinction of conventional species. The identification of the presence of GMOs is based on complex DNA-based analysis, which is usually laborious, expensive, timeconsuming, destructive, and generally unavailable. In the present study, a new methodology to identify GMOs using partial least squares discriminant analysis (PLS-DA) on NIR and Raman data is proposed to distinguish conventional and transgenic cotton seed genotypes, providing classification errors for prediction set of 2.23% for NIR and 0.0% for Raman. Published by Elsevier B.V.