查看更多>>摘要：Water spectrum of any aqueous system contains information about OH covalent and hydrogen bonds that are highly influenced by the environment and the rest of the molecules in the system. When aquaphotomics is used to analyze the water near infrared (NIR) spectra, the information about the water molecular structure can be obtained as a function of internal and external factors. The objective of this research is to apply aquaphotomics analysis to evaluate different groundwaters by using their NIR unique spectral pattern, robust to external influences of temperature and humidity, that can potentially be used for water type identification and screening practice. Two groundwaters obtained at different depths and their mixture, differing in mineral content and molecular structure were monitored on a daily basis using portable visible/NIR (vis/NIR) spectrometer during three consecutive years. The spectra were pre-processed by smoothing and multiplicative scatter correction (MSC) to remove noise and baseline effects. Results showed that NIR spectral patterns of groundwater samples were affected by changes in environmental factors - temperature, humidity, time and others. The water absorbance bands which are highly influenced by humidity and temperature in short wavelength NIR region were identified. Their avoidance resulted in obtaining consistent spectral patterns during the entire monitoring period, unique for each groundwater, that can be used as its fingerprint and monitored over time. Consistency , uniqueness of the spectral pattern for each groundwater provide a potential to use the deviation of spectral pattern as an indicator of changes in the water. These results confirm that vis/NIR spectral pattern can be used as an integrative marker of water status, stable over time, providing the basis for an efficient cost-effective method for monitoring of water functionality. (c) 2022 The Authors. 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：Cyanide is a highly toxic substance, and the detection of cyanide in the environment and food samples is critical to public health care. Herein, we rationally designed a mitochondria-targeted near-infrared fluorescent probe BTC for ratiometric monitoring of CN- in water, food, living cells, and zebrafish. BTC exhibits a remarkable colorimetric ratiometric fluorescence response to CN- with high selectivity, low detection limit (54.3 nM), and large Stokes shift. The cyanide sensing mechanism was demonstrated by NMR and ESI-MS analysis and density functional theory (DFT). More importantly, BTC was used for efficient naked-eye colorimetric detection of CN- in sprouting potatoes, almonds, and ginkgo fruit samples. Further, the BTC is capable of situ tracking and imaging cyanide in mitochondria of SMMC-7721 cells and in zebrafish via dual emission channels, and was prepared into a kit for convenient and visual on-site sensing of cyanide in food samples.
查看更多>>摘要：Three new phenanthroline-derived ligands were synthesized by the Schiff base condensation method. The first ligand was the result of 1,10-phenanthroline-2-carboxyaldehyde reaction with 1,4-diaminobutane (L1). The other ligands were obtained 1,6-diaminohexane (L2) and 1,8-diaminooctane (L3) with the phenanthroline aldehyde in separate reactions. The structures of all ligands were elucidated using spectral techniques such as FT-IR, C-13 NMR, H-1 NMR and LC ESI/MS. The geometric properties of ligands such as bond lengths, bond angles, dihedral angles, electronic properties, HOMO and LUMO energies were calculated by using the Gaussian 09w programme. Ligands were optimized with B3LYP and 6-311++G(2d,p) basis set and NMR and FT-IR spectra were calculated. Experimental and theoretical spectrum data were compared. All of the ligands showed anti-bacterial activity against Staphylococcus aureus ATCC 25923 and Bacillus cereus ATCC 11778. The anticancer activities of the ligands were also determined against human breast cancer (MCF7) and prostate cancer (DU145) cell lines. In addition, which conformation of the ligands was determined by the theoretical calculations. Docking studies of ligands with bovine serum albumin (BSA) were performed using Autock Tools 1.5.6 programme.
查看更多>>摘要：Alkaline phosphatase is one of the most important tool enzymes and diseases indicator, monitoring ALP activity with convenient, precise, efficient and sensitive methods plays a fundamental role in modern life and healthcare industries. In this study, we described a novel method for ALP analysis based on Pb2+ dependent DNAzyme. By modifying DNAzyme sequence with terminal phosphate group and introducing exonuclease I (exo I), we managed to analyze ALP by utilizing its causal function of DNAzyme probe from exo I mediated degradation and function of triggering the subsequent cleavage of the hairpin reporting probe. Other than one amplificative strategy by DNAzyme mediated cleavage and cycle, this system also involved an exo I mediated degradation to further reduce the background noise. Combining stepwise fluorimetry and electrophoresis, we verified the detective mechanism of this proposed method. Further, after selectivity demonstration, this method achieved a considerable LOD of 0.0017 U L-1 and linear range of 0.0025 U L-1 to 250 U L-1. For potential of practical application, this method also exhibited excellent performances in inhibitor screening and intracellular ALP assay, both with a linear fitting equation. Based on these results, this method should be highly committed for improving ALP analysis in modern life industry. (C) 2022 Elsevier B.V. All rights reserved.
查看更多>>摘要：Commercially available and administered to the patients ethosuximide is a racemic mixture of two enantiomers, each of them exist in different conformations. The presence of the species mentioned are proven by the title experimental methods aided by DFT model calculations. Results of the latter are matched against spectroscopic data by the clustering window analysis. One type of hydrogen bonds exist in the solid forms of ethosuximide NHMIDLINE HORIZONTAL ELLIPSISO, leading to the polymorphic variety of the substance studied.
查看更多>>摘要：Many issues in the conservation of paintings from the early modern period are still unresolved due to lack of information on paints from the late 19th and early 20th centuries, in particular their production, formulations, and later degradation processes. The inconsistency of the names that paint manufacturers chose for their products furthermore compounds the challenges faced by conservators and chemists wishing to study them. This paper addresses a number of these issues through investigations of commercial tube oil paints from a paint box owned by the Norwegian painter Harriet Backer (1845-1932). Samples were analyzed using a multi-instrumental approach. Micro-attenuated total reflection Fourier transform infrared spectroscopy and micro-Raman spectroscopy - supported by micro-X-ray powder diffraction - allowed the identification of binders, pigments, and extenders. The data highlight the use of materials that were new at the time and not reported in the manufacturer's catalog. Furthermore, zinc stearate has been detected for the first time. Its detection and the absence of any zinc-based pigments confirms that zinc stearate was already used as dispersing agent in paint formulations at that time.
Srinivasan, RajeshChristo, V. R. EugeneKunnath, Radhika NambannorKatare, Prateek...
7页
查看更多>>摘要：People afflicted with sickle cell disease (SCD) experience severe deterioration in quality of life. The disease is characterized by debilitating pain, anemia, and increased susceptibility to life threatening infections. This genetic disorder is endemic to many parts of the world. Extensive and accurate screening of individuals with sickle cell trait (SCT) in the population, coupled with genetic counselling can inhibit the propagation of the disease. The gold-standard techniques for the detection of sickle hemoglobin, such as capillary electrophoresis, HPLC, and genetic testing, are prohibitively expensive and time-consuming. Mass screening is usually conducted with a lowcost test called the solubility test, which does not offer high specificity. This study proposes a game-changing single-step low-cost method for rapidly yet accurately screening and diagnosing SCD and SCT. This method relies on the hitherto unexplored differences in the optical absorbance between diseased, trait, and normal blood samples, under deoxygenated conditions. The proposed method was tested in two phases of clinical validation: a pilot study and a blind study. A total of 438 patient samples were tested using the proposed method across the two phases. The proposed method offers an average accuracy, sensitivity, and specificity of 97.6%, 96.9%, and 98.6%, respectively. The proposed test has the potential to obliviate the conventional two-step process of screening and diagnostic tests as it can be used at the point-of-care with minimal training and yet yield results reliable enough to assess disability benefit claims.
查看更多>>摘要：The search for gold-standard materials for bone regeneration is still a challenge in reconstruction surgery. The ratio between hydroxyapatite (HAp) and B-tricalcium phosphate (fl-TCP) in biphasic calcium phosphate ceramics (BCPs) is one of the most important factors in osteoinduction promotion and controlled biodegradability, configurating what is currently considered as a possible gold standard material for bone substitution in reconstructive surgery. Exploring the natural genesis of the HAp and fl-TCP phases in fishbones during their postnatal growth, this study developed a biphasic bioceramic obtained from the calcination of Nile tilapia (Oreochromis niloticus) bones as a function of their ages. The natural genesis dynamics of the structural evolution of the fl-TCP and HAp phases were characterized by physicochemical methods, taking into account of the age of the fish and the material processing conditions. Thermal analysis (TGA / DTA) showed complete removal of the organic matter and transitions associated with the
查看更多>>摘要：Herein, we developed a unique fluorescence biosensor for methotrexate assay based on MoS(2 )quantum dots, which were synthesized in one step using sodium molybdate and cysteine as raw materials. The fluorescence of MoS(2 )QDs could be quenched when encountered with methotrexate, which was attributed to the inner filter effect (IFE). Furthermore, this present IFE-based method showed the linearity between the MoS(2 )QDs fluorescence intensity and the methotrexate concentration in the range of 0.05-1 mu M with the LOD of 42 nM. The practical applicability of this strategy was successfully demonstrated by detecting methotrexate in real samples. Results indicated that the proposed method could be a promising sensing platform for methotrexate analysis.
Prabakaran, KaliyanOh, HyeonManivannan, RamalingamPark, Si Hyeong...
10页
查看更多>>摘要：In this paper, we prepared a new class of chemically linked UV absorber XU2 & XU3, and their photophysical, chemical properties and substrate durability were investigated. Spectroscopic behavior at various solvent and pH levels for this dye solution has been evaluated. Successfully designed an open ring form of xanthene moiety, linked a UV absorber to it, and made XU2 & XU3 that have shown good absorbance and emission band maxima at all solvents and pH mediums. Further, the found UV-Vis absorbance band maxima (lambda(max)), PL emission maxima (lambda(em)), molar extinction coefficient (epsilon(max)) and Stokes shifts (delta nu ST) when compared to commercially available dye 1. The synthesised XU2 & XU3 have shown brilliant results from exposed UV light at irradiation processing time, due to the light energy passes through the molecule by keto-enol tautomerisation between phenolic hydrogen and carbonyl carbon like a six-member ring. So it can be acted as radioless behaviour in the visible region, and it can relax the energy without any assistance. Hence, the UV absorber has protected the compound like a UV Resistance.
NSTL
Elsevier