查看更多>>摘要：Excited-state intramolecular proton transfer (ESIPT) has recently received considerable attention due to its dual fluorescent changes and large Stokes shift. Hydrogen sulfide (H2S) is a gas signal molecule that plays important roles in modulating the functions of different systems. Herein, by modifying 2-(2-hydroxyphenyl) benzothiazole (HBT) scaffold, a novel near-infrared mitochondria-targeted fluorescent probe HBTP-H2S has been rationally designed based on excited-state intramolecular proton transfer (ESIPT) effect. The nucleophilic addition reaction of the H2S with probe HBTP-H2S caused the break of the conjugated skeleton, resulting the shifting of maximum emission peak from 658 nm to 470 nm. HBTP-H2S showed fast-response response time, good selectivity and a large Stokes shift (188 nm) toward H2S. Most importantly, inspired by the inherent advantages of the probe, HBTP-H2S was successfully employed to monitor mitochondrial H2S in HepG2 cells. (C) 2021 Published by Elsevier B.V.
查看更多>>摘要：Dye-sensitized solar cells (DSSCs) have recently received a significant attention as possible sources of renewable energy. As a result, a significant effort is being made to develop organic dyes for highly power conversion efficient DSSCs, in order to overcome the disadvantages of previous solar cell systems, such as cost reduction, weight reduction, and production methods that minimize environmental pollution. As shown by multiple recent research publications, computational techniques such as quantitative structure-property relationship (QSPR) modeling may aid in the development of suitable dyes for DSSCs satisfying many fundamental desired characteristics. The current report provides robust, externally verified QSPR models for five chemical classes of organic dyes (Triphenylamines, Phenothiazines, Indolines, Porphyrins and Coumarins) based on experimentally determined absorption maxima values. The size of the dye data points utilized to develop the models is the largest known to date. The QSPR models were constructed using only two-dimensional descriptors with clear physicochemical meaning. Using the best subset selection approach, we built 5, 3, 4, 3 and 2 descriptor models for the Triphenylamine, Phenothiazine, Indoline, Porphyrin and Coumarin classes, respectively. The models were validated both internally and externally, and then consensus predictions were made for specific categories of dyes using the developed partial least squares (PLS) models, and the "Intelligent consensus predictor" tool (http:// teqip.jdvu.ac.in/QSAR_Tools/) was used to determine whether the quality of test set compound predictions can be improved through the "intelligent" selection of multiple PLS models. We identified from the insights gained from the developed models several chemical attributes that are important in enhancing the absorption maxima. Thus, our study may be utilized to predict the lambda(max) values of novel or untested organic dyes and to give insights that will aid in the development of new dyes for use in solar cells with increased lambda(max) values and enhanced power conversion efficiency. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：Viscosity of cell microenvironment plays a significant role in maintaining the normal life activities of cells. Particularly, the abnormal viscosity in mitochondria is closely associated with lots of diseases and cellular dysfunctions. Herein, we developed a group of p-aminostyryl thiazole orange derivatives with different amino side chains. These probes showed good fluorescence response to viscosity with twisted intramolecular charge transfer mechanism, among them, the probes with diethylamino (TOB), dibutylamino (TOC) and pyrrolidin (TOE) side chains showed better response to the viscosity with 78 fold, 55-fold, and 88-fold fluorescence enhancement in 95% glycerol solution respectively. TOB, TOC, and TOE could enter live cells and mainly located in mitochondria. Treatment HeLa cells with nystatin, lipopolysaccharide or oleic acid caused significant fluorescence enhancement of these probes, suggesting the good potential for monitoring the variation of mitochondrial viscosity, as well as for investigating the related physiological process of inflammation and lipid metabolism. (c) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：In this work, nitrogen doped carbon dots (NCDs) were synthesized through one step hydrothermal reaction using citric acid and ethylenediamine as precursors. The prepared NCDs exhibit high quantum yield of 67.4%, good stability, excellent selectivity and sensitivity. It was found that the NCDs have potential as a fluorescence sensor for the detection of Hg2+. Under optimal conditions, good linearity between the change in NCDs fluorescence intensity and Hg2+ concentration was obtained in the range of 0.3 to 2.0 lM with a detection limit at 0.24 lM. The possible detection mechanism was static quenching of NCDs by Hg2+. The established method was successfully applied to the determination of Hg2+ in beverage samples. The results indicated that the NCDs-based sensor has potential for detection of Hg2+ in real beverage sample. (C) 2021 Elsevier B.V. All rights reserved.
Ahmed, BilalElgorban, Abdallah M.Bahkali, Ali H.Lee, Jintae...
9页
查看更多>>摘要：A selective and sensitive detection of L-cysteine (Cys) is an important tool for various biological studies. Here, Au nanoparticles (NPs) were prepared by chemical reduction technique. The probe was developed to detect and quantify Cys in the presence of Cr3+ ions which acts as a cross linker. The citrate capped Au NPs probe was analyzed by UV-visible spectrophotometry, TEM, EDAX, FTIR, DLS, XPS and zetasize. The zeta potential and effective size of Au NPs were -41.22 mV and 12 nm, respectively. The Cys interaction with Au NPs showed drastic colour variation from red to purple and colourless with rapid response time of 1 min. The limit of detection (LOD) of Au NPs probe was as low as 0.012 nM. The TEM image of Au NPs after Cys interaction verified the aggregation that resulted in colour change. The XPS core level scans of Au 4f showed 0.3 eV red shift when Cys was interacted. The Au NPs sensor is highly selective for Cys with excellent reproducibility. Acidic pH slightly favored Cys detection. Further, the probe was applied to estimate Cys quantity from milk, urine, blood and environmental augmented samples in the presence of other amino acids. The study suggests that the proposed Au NPs could detect Cys with high accuracy from various biological samples. (C) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：In this work, the Gypsophila aretioides (GYP-A) stem is used as a biosorbent to remove crystal violet (CV) by the static and dynamic systems from aqueous solutions; the biosorbent is interesting in green chemistry and, on the other hand, cheaper than activated carbon and does not have the limitation of industrialization. The effects of different operating parameters such as pH(3-9), biosorbent dosage(0.4-1.8 mg/L), and initial concentration of CV(100-250 mg/L) and time for the batch method and the bed height, inlet CV concentration(75-250 mg/L), and flow rate(3-8) on the breakthrough curves for the continuous method is investigated. The result of CV adsorption onto GYP-A using the batch method indicates that the model fits Freundlich > Temkin > Langmuir > R-D, and R-2 equal 0.9953, 0.9847, 0.9161, 0.7909 were obtained for isotherm model, respectively. A pseudo-second-order model (R-2 = 0.9995-0.9997) is recommended to describe the adsorption kinetics. The Thomas and Yoon-Nelson models were analyzed to study the adsorption kinetics. The random forest model shows an excellent ability to predict the parameters involved in the CV adsorption process with appropriate accuracy and useable for large data, robust against noise; it can be very effective in selecting important variables. (C) 2021 Published by Elsevier B.V.
查看更多>>摘要：Water activity is an important phenomenon not yet explained in terms of water molecular structure. This paper aims to find the relationship between the water activity and water molecular structure of the rice germ, based on its spectral pattern which can be measured using non-destructive technology. Aquaphotomics near-infrared spectroscopy was used to study rice germ stored at different levels of water activity and atmosphere. The findings show that state of the rice germ is governed by the water activity upon storage, which is defined by the structure of water within germ matrix. The structure of water can be described solely by the absorbance spectral pattern at the following absorbance bands: proton hydrates, hydration shells and water vapor (1364, 1375 and 1382 nm), trapped water (1392 nm), free water (1410 nm), hydration water (1425 nm), adsorbed water (1455 nm), non-bonded hydroxyl (1436 nm) and bound water (1520 nm). (c) 2021 Elsevier B.V. All rights reserved.
查看更多>>摘要：Lipophilicity plays a significant role in the permeability of the drugs through cell membranes and impacts the drug activity in the human body. In this paper, the spectrophotometric method was used to deter-mine the apparent partition coefficients of two amphoteric drugs: ciprofloxacin and levofloxacin. The apparent partition coefficient was determined with the classic shake-flask method with n-octanol according to OECD guidelines. The lipophilicity profiles in a wide range of pH were determined and described quantitatively with the quadratic function. Basing on the macro-and microdissociation con-stants, the true partition coefficient for both drugs was calculated. Both levofloxacin and ciprofloxacin were lipophilic. The neutral forms, i.e., zwitterionic and uncharged, dominate in the pH relevant to the one in the intestines, the place from which they are absorbed. (c) 2021 The Author. 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：A rapid method based on three-dimensional synchronous fluorescence spectroscopy was developed for emulsion oxidation evaluation. This method was selected because of its high sensitivity to dissolved organic matter typically occurring in the lipid oxidation. Spectral signal and chemical reference measurements were recorded for each emulsion sample as input and output data for the model construction. Characteristic values were extracted from the spectral data by the application of parallel factor (PARAFAC) analysis. Partial least squares regression (PLSR) was then used to construct a regression model for the rapid determination of emulsion oxidation. The correlation coefficient of the calibration and prediction sets were used as the performance parameters for the PLSR models as follows: R = 0.929, 0.973 for emulsion samples stored at 25celcius; R = 0.897, 0.903 for emulsion samples stored at 70celcius. The overall results demonstrated that the fluorescence spectroscopy, coupled with PARAFAC and PLSR algorithms, could be successfully used as a rapid method for the emulsion oxidation evaluation. (c) 2021 Published by Elsevier B.V.
Ni, DongdongSmyth, Heather E.Gidley, Michael J.Cozzolino, Daniel...
9页
查看更多>>摘要：The objective of this study was to evaluate the ability of a portable near infrared (NIR) instrument to analyse different tissues in healthy individuals in vivo and relate the spectral data with age, resting metabolic rate (RMR), respiratory quotient (RQ), body fat (BF) and body mass index (BMI). A NIR (950-1600 nm) instrument was used to collect the spectra of different tissues and partial least squares (PLS) regression was used to relate the NIR with RMR, RQ, BF and BMI. Results shown that non-destructive techniques such as those based in vibrational spectroscopy have potential to be used as tools to better categorise and understand the complex inter-individual differences that determine interactions between physiology and nutrition. (c) 2021 Elsevier B.V. All rights reserved.
NSTL
Elsevier