查看更多>>摘要：SERS analysis of biofluids, coupled with classification algorithms, has recently emerged as a candidate for point of-care medical diagnosis. Nonetheless, despite the impressive results reported in the literature, there are still gaps in our knowledge of the biochemical information provided by the SERS analysis of biofluids. Therefore, by a critical assignment of the SERS bands, our work aims to provide a systematic analysis of the molecular information that can be achieved from the SERS analysis of serum and urine obtained from breast cancer patients and controls. Further, we compared the relative performance of five different machine learning algorithms for breast cancer and control samples classification based on the serum and urine SERS datasets, and found comparable classification accuracies in the range of 61-89%. This result is not surprising since both biofluids show striking similarities in their SERS spectra providing similar metabolic information, related to purine metabolites. Lastly, by carefully comparing the two datasets (i.e., serum and urine) we show that it is possible to link the misclassified samples to specific metabolic imbalances, such as carotenoid levels, or variations in the creatinine concentration.(c) 2022 Published by Elsevier B.V.
查看更多>>摘要：In our work we used noninvasive point reflectance spectroscopy in the range from 400 to 2100 nm coupled with machine learning to study scales on the brown and golden iridescent areas on the dorsal side of the forewing of Diachrysia chrysitis and D. stenochrysis. We used our approach to distinguish between these species of moths. The basis for the study was a statistically significant collection of 95 specimens identified based on morphological feature and gathered during 23 years in Poland. The numerical part of an experiment included two independent discriminant analyses: stochastic and deterministic. The more sensitive stochastic approach achieved average compliance with the species identification made by entomologists at the level of 99-100%. It demonstrated high stability against the different configurations of training and validation sets, hence strong predictors of Diachrysia siblings distinctiveness. Both methods resulted in the same small set of relevant features, where minimal fully discriminating subsets of wavelengths were three for glass scales on the golden area and four for the brown. The differences between species in scales primarily concern their major components and ultrastructure. In melaninabsent glass scales, this is mainly chitin configuration, while in melanin-present brown scales, melanin reveals as an additional factor. CO 2022 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
查看更多>>摘要：Hypochlorous acid (HClO) as a biomarker of inflammation has been implicated in redox signaling and combating microbial infection. Therefore, it is of great significance to develop an efficient method for detection and analysis of HClO in osteoarthritis. Herein, a new"turn-off" mitochondria-targetable NIR fluorescent probe, NIR-ClO, was reported for specific analysis and imaging of osteoarthritis response-related HOCl levels in vitro and in vivo. In the presence of HClO, due to the specific HOCl-triggered C = C bond cleavage reaction, NIR-ClO obtained a high sensitive and selective fluorescence "On-Off" response toward HClO with a good limit of detection(LOD) as low as 28.3 nM, and showed a fast response time (<60 s) , which allow it to be used for detection of HClO under a simulated physiological condition. In addition, NIR-ClO was successfully used to imaging of HClO in living RAW264.7 cells and osteoarthritis model rat. The results suggest that NIR-ClO is a robust tool for future studies on diagnosis osteoarthritis. (c) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：Silver nanowires (AgNWs) as a promising surface-enhanced Raman spectroscopy (SERS) substrate could be used in the analytical science due to its high sensitivity. However, it is difficult for the randomlydistributed silver nanowires to offer uniform "hot spots" to achieve the SERS signal reproducibility of small molecules detection. Herein, the evaporation-induced aggregation had been used to assemble long silver nanowires into highly aligned structure to achieve uniform "hot spots" for SERS detection. The normal glass slide with well-aligned silver nanowires could act as a high sensitivity and excellent reproducibility SERS substrate to provide a versatile platform for detecting analytes. Rhodamine 6G (R6G) is used to evaluate the sensitivity and reproducibility of these AgNWs SERS substrates. Even the low concentration of the R6G was 10(-10) mol/L, the SERS features of R6G could be still observed clearly, and the uniform distribution of enhancement factor (EF) was higher than 0.8 x 10(4) accounting for about 75 % in the observed mapping area. Moreover, the relative standard deviation (RSD) of SERS intensity at the band of 610 cm(-1) was used to estimate the signal reproducibility, and the calculated RSD value of aligned AgNWs substrate was about 3.6%, which was much higher than that of the randomly distributed AgNWs (26.8%) because of the highly aligned structure of silver nanowires with abundant and uniform inherent "hot spots". In addition, potential SERS detection of other small molecule, e.g. melamine was also demon-strated in the micromolar range. (c) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：The realm of spectrophotometric analysis has witnessed a remarkable progress in inventing faster and simpler resolution techniques for spectrally overlapping drug mixtures. Eco-friendly and progressive spectrophotometric methods were firstly developed in this work, for the simultaneous determination of Dutasteride (DUT) and Silodosin (SLD) in their newly-marketed dosage form. The proposed methods focused on the unique spectral features of this mixture including spectral extension of SLD over DUT spectrum as well as existence of iso-absorptive points. By such way, the methods were classified into two categories; the first one was "fingerprint resolution techniques" including constant extraction coupled with spectrum subtraction and ratio subtraction coupled with constant multiplication methods. The former represented a new modification to the classical constant extraction method where one divisor and lower steps were manipulated instead. The second category was "iso-absorptive resolution techniques", such as absorptivity centering, absorbance subtraction and amplitude modulation methods. Different solvents were investigated where ethanol was found to be the optimum one regarding drugs solubility, signal sensitivity and environmental, health & safety (EHS) score. Validity of the suggested methods was assessed as per ICH-guidelines and found to be linear over concentration ranges of 5.0-90.0 mu g/mL for DUT and 5.0-120.0 mu g/mL for SLD. The methods were successfully applied for quantifying the cited drugs in their combined dosage form and evaluating their content uniformity. Moreover, the insignificant statistical difference between the proposed methods and official HPLC ones encourages the utilization of such spectrophotometric methods as greener and faster candidates, especially in modest quality control laboratories. Methods' greenness profile was finally guaranteed through several assessment tools, namely; national environmental methods index (NEMI), analytical eco-scale, green analytical procedure index (GAPI) and analytical greenness (AGREE) metric. (c) 2022 Elsevier B.V. All rights reserved.
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