- 标题
- 摘要
- 关键词
- 实验方案
- 产品
-
Soil Particles and Phenanthrene Interact in Defining the Metabolic Profile of Pseudomonas putida G7: A Vibrational Spectroscopy Approach
摘要： In soil, organic matter and mineral particles (soil particles; SPs) strongly influence the bio-available fraction of organic pollutants, such as polycyclic aromatic hydrocarbons (PAHs), and the metabolic activity of bacteria. However, the effect of SPs as well as comparative approaches to discriminate the metabolic responses to PAHs from those to simple carbon sources are seldom considered in mineralization experiments, limiting our knowledge concerning the dynamics of contaminants in soil. In this study, the metabolic profile of a model PAH-degrading bacterium, Pseudomonas putida G7, grown in the absence and presence of different SPs (i.e., sand, clays and humic acids), using either phenanthrene or glucose as the sole carbon and energy source, was characterized using vibrational spectroscopy (i.e., FT-Raman and FT-IR spectroscopy) and multivariate classification analysis (i.e., PLS-DA). The different type of SPs specifically altered the metabolic profile of P. putida, especially in combination with phenanthrene. In comparison to the cells grown in the absence of SPs, sand induced no remarkable change in the metabolic profile of the cells, whereas clays and humic acids affected it the most, as revealed by the higher discriminative accuracy (R2, RMSEP and sensitivity) of the PLS-DA for those conditions. With respect to the carbon-source (phenanthrene vs. glucose), no effect on the metabolic profile was evident in the absence of SPs or in the presence of sand. On the other hand, with clays and humic acids, more pronounced spectral clusters between cells grown on glucose or on phenanthrene were evident, suggesting that these SPs modify the way cells access and metabolize PAHs. The macromolecular changes regarded mainly protein secondary structures (a shift from α-helices to β-sheets), amino acid levels, nucleic acid conformation and cell wall carbohydrates. Our results provide new interesting evidences that SPs specifically interact with PAHs in defining bacteria metabolic profiles and further emphasize the importance of studying the interaction of bacteria with their surrounding matrix to deeply understand PAHs degradation in soils.
关键词： phenanthrene,FTIR spectroscopy,soil particles,multivariate classification analysis,bacteria,metabolic profile,FT-Raman spectroscopy
更新于2025-11-14 15:16:37
-
Quantification of hexagonal boron nitride impurities in boron nitride nanotubes <i>via</i> FTIR spectroscopy
摘要： Preparation of high-quality boron nitride nanotubes (BNNTs) from commercially available stock is critical for eventual industry adoption and to perform comprehensive experimental studies of BNNTs. Separation of h-BN and BNNTs is a significant challenge, and equally so, quantification of h-BN content in mixed samples is a major challenge due to their nearly identical properties. This work introduces a simple method of quantifying h-BN content in BNNTs based on FTIR analysis. Quantification is achieved by 'spiking' a BNNT sample with pure nanoscale h-BN as an internal standard. To demonstrate the efficacy of the quantification technique two BNNT enrichment methods, surfactant wrapping and centrifugation, and a novel sonication-assisted isovolumetric filtration are introduced. FTIR spectra of enriched samples show clear trends throughout the processes. We propose and demonstrate that FTIR peak ratios of the Transverse and Buckling modes of mixed h-BN/BNNT samples can be used to calibrate and quantify h-BN content in any BNNT sample. Hopefully, this method enables as-received BNNTs to be quantifiably enriched from low purity commercial feedstocks, enabling future development and study of BNNTs and related technology.
关键词： FTIR spectroscopy,Boron nitride nanotubes,hexagonal boron nitride,enrichment methods,quantification
更新于2025-11-14 15:13:28
-
Determination of liquid egg composition using ATR-FTIR spectroscopy and chemometrics
摘要： BACKGROUND: The use of liquid whole egg (LWE) in food industry as a substitute for shell eggs has been on the increase lately. Since the composition of LWE can easily be changed, determination of protein, lipid, moisture, and total soluble solid (TSS) contents of LWE has also gained importance. Traditional methods usually require more time and effort, and the use of toxic chemicals for sample preparation, where more efficient techniques (faster, cheaper, and more reliable) are needed. In this concern, a novel technique that determines LWE components using ATR-FTIR spectroscopy with partial least square regression (PLS) is presented in this study. RESULTS: The actual values of LWE components were detected by applying reference methods. The accuracy of PLS model was demonstrated by comparing the obtained predictions with the actual values of the component. High coefficients of determination values, which are 0.950, 0.992, 0.994, and 0.972, were achieved for protein, lipid, moisture, and TSS validation data sets, respectively. The error values, namely RMSEC, RMSECV, and RMSEP, were obtained in the range of 0.404-0.978, 0.57-1.82, and 0.83-1.84, respectively. CONCLUSION: ATR-FTIR spectroscopy coupled with chemometrics can provide a rapid and sensitive method for quality control of liquid egg composition.
关键词： chemometrics,composition,Liquid whole egg,ATR-FTIR spectroscopy,reference method
更新于2025-09-23 15:23:52
-
Silver Nanostructures on Graphene Oxide as the Substrate for Surface-Enhanced Raman Scattering (SERS)
摘要： Nanosized surface-enhanced Raman scattering (SERS) substrates fabricated by the controlled growth of metal nanostructures on water-dispersed two-dimensional nanomaterials can open a new avenue for SERS analysis of liquid samples in biological fields. In this work, regular and uniform Ag nanostructures were grown on the surface of graphene oxide (GO) through a microwave-assisted hydrothermal method. Polyamidoamine (PAMAM) dendrimers were assembled on the surface of GO to form GO/PAMAM templates for growing Ag nanostructures, which are primarily comprised of Ag dimers and trimers. The prepared Ag/GO nanocomposites are highly dispersed and stable in aqueous solution and may be used as substrates for enhanced Raman detection of rhodamine 6 G (R6G) in aqueous solution. This special substrate provides high-performance SERS and suppresses R6G fluorescence in aqueous solution and is promising as a nanosized material for the enhanced Raman detection of liquid samples in biological diagnostics.
关键词： graphene oxide (GO),Surface-enhanced Raman scattering (SERS),polyamidoamine (PAMAM) dendrimers,transmission electron microscopy (TEM),Fourier transform infrared (FTIR) spectroscopy,rhodamine 6G (R6G)
更新于2025-09-23 15:23:52
-
Rapid Quantitative Analysis of Forest Biomass Using Fourier Transform Infrared Spectroscopy and Partial Least Squares Regression
摘要： Fourier transform infrared reflectance (FTIR) spectroscopy has been used to predict properties of forest logging residue, a very heterogeneous feedstock material. Properties studied included the chemical composition, thermal reactivity, and energy content. The ability to rapidly determine these properties is vital in the optimization of conversion technologies for the successful commercialization of biobased products. Partial least squares regression of first derivative treated FTIR spectra had good correlations with the conventionally measured properties. For the chemical composition, constructed models generally did a better job of predicting the extractives and lignin content than the carbohydrates. In predicting the thermochemical properties, models for volatile matter and fixed carbon performed very well (i.e., R2 > 0.80, RPD > 2.0). The effect of reducing the wavenumber range to the fingerprint region for PLS modeling and the relationship between the chemical composition and higher heating value of logging residue were also explored. This study is new and different in that it is the first to use FTIR spectroscopy to quantitatively analyze forest logging residue, an abundant resource that can be used as a feedstock in the emerging low carbon economy. Furthermore, it provides a complete and systematic characterization of this heterogeneous raw material.
关键词： FTIR spectroscopy,forest logging residue,energy content,partial least squares regression,thermal reactivity,chemical composition
更新于2025-09-23 15:22:29
-
Pseudo-Continuous Flow FTIR System for Glucose, Fructose and Sucrose Identification in Mid-IR Range
摘要： In this paper, we present a new FTIR-based micro?uidic system for Glucose, Fructose and Sucrose detection. The proposed micro?uidic system is based on a pseudo-continuous ?ow coupled to a microscope-FTIR instrument. The detection and characterization of sugar samples were performed by recording their absorption spectrum in the wavelength range 700–1000 cm?1 of the Mid-IR region. The proposed pseudo-continuous ?ow system is designed to improve the uniformity of the sample distribution in the analyzed area versus conventional systems. The obtained results for different sugars concentrations, show a very low measurement error of 4.35% in the absorption peak intensity, which is ten times lower than the error obtained using the conventional measurements.
关键词： mid-IR absorption spectroscopy,absorption spectrum,FTIR spectroscopy,microscopy-FTIR spectrometer,sugars detection and quanti?cation,Glucose,Fructose,Sucrose,pseudo-continuous ?ow
更新于2025-09-23 15:21:21
-
Density, Structure, and Stability of Citrate <sup>3–</sup> and H <sub/>2</sub> Citrate <sup>–</sup> on Bare and Coated Gold Nanoparticles
摘要： We simulate the packing of citrate3– and H2citrate– onto gold nanoparticles (AuNPs) to understand how citrate anions cap and stabilize AuNPs. We determine the molecular configurations of citrate on 4, 6, and 8 nm AuNP surfaces as a function of charge state and packing density and find that both the distribution of configurations and maximum packing density are independent of AuNP size. A combination of molecular dynamics simulations and in situ Fourier transform infrared spectroscopy (FTIR) is employed to compare the molecular configurations, stability, and density of citrate on 4 nm citrate-coated (cit-AuNPs) and within polycation-wrapped 4 nm cit-AuNPs. FTIR experiments indicate the presence of H2citrate– within polycation-wrapped cit-AuNPs with coordination between the H2citrate– layer and polycation layer in agreement with simulations. Intermolecular hydrogen bonding between terminal carboxylic-acid groups of H2citrate– stabilizes the anionic layer at the interface between cit-AuNPs and adsorbing charged molecules. The calculated total density of H2citrate– on AuNPs decreases from 3.3 × 10-10 mol/cm2 to 3.0 × 10-10 mol/cm2 upon adsorption of a polycation due to some displacement of dangling H2citrate– hydrogen bonded to the surface-bound layer. The density of the surface-bound layer is consistently 2.8 × 10-10 mol/cm2 with and without polycation adsorption. We provide all-atom level insight into the distribution and organization of experimentally derived binding modes of citrate on bare and coated cit-AuNPs. The citrate density and surface charge density are determined for all-atom and coarse-grained modeling of cit-AuNPs, their functionalization, and transformations in complex environments.
关键词： polycation adsorption,gold nanoparticles,FTIR spectroscopy,citrate,molecular dynamics simulations
更新于2025-09-23 15:21:21
-
Rapid quality assessment of isogams using laser plasma spectroscopy
摘要： In this paper, the quality assessment of isogams is demonstrated by laser-induced breakdown spectroscopy (LIBS) using the comparative standardization method. Here, the mass concentrations of carbon and hydrogen, as basic elements of tar, relative to that of calcium, as an undesired element, are taken into account as principal parameters to determine the quality of isogams. Hence, the intensity ratios of H?? line of hydrogen (656.28?nm), the (0, 0) band of CN (388.34?nm), and the (0, 0) band of C2 (516.52?nm) to the line intensity of once-ionized calcium (317.93?nm) are considered as determinant markers for five different pre-known isogam brands. Qualitatively, classification of the isogams based on this approach is in full agreement with that obtained from the results of Fourier-transform infrared (FTIR) spectroscopy. In FTIR spectra, two stronger transitions of 2849?cm?1 and 2917?cm?1 related to the symmetric and asymmetric stretching vibrations of C–H play the principal role in the analysis of samples. Furthermore, the results obtained from energy-dispersive X-ray (EDX) analysis quantitatively confirm the LIBS outcomes. And finally, to reveal the differences between isogams from various aspects, the linear discriminant analysis (LDA) is exploited as a statistical approach.
关键词： FTIR spectroscopy,EDX analysis,Linear discriminant analysis (LDA),Laser-induced breakdown spectroscopy (LIBS),Isogams,Quality assessment
更新于2025-09-23 15:21:01
-
Infrared spectroscopy of live cells from a flowing solution using electrically-biased plasmonic metasurfaces
摘要： Spectral cytopathology (SCP) is a promising label-free technique for diagnosing diseases and monitoring therapeutic outcomes using FTIR spectroscopy. In most cases, cells must be immobilized on a substrate prior to spectroscopic interrogation. This creates significant limitations for high throughput phenotypic whole-cell analysis, especially for the non-adherent cells. Here we demonstrate how metasurface-enhanced infrared reflection spectroscopy (MEIRS) can be applied to a continuous flow of live cell solution by applying AC voltage to metallic metasurfaces. By integrating metasurfaces with microfluidic delivery channels and attracting the cells to the metasurface via dielectrophoretic (DEP) force, we collect the infrared spectra of cells in real time within a minute, and correlate the spectra with simultaneously acquired images of the attracted cells. The resulting DEP-MEIRS technique paves the way for rapid SCP of complex cell-containing body fluids with low cell concentrations, and for the development of a wide range of label-free liquid biopsies.
关键词： dielectrophoretic force,live cells,FTIR spectroscopy,microfluidic delivery channels,Spectral cytopathology,metasurface-enhanced infrared reflection spectroscopy,label-free liquid biopsies
更新于2025-09-23 15:21:01
-
Spectroscopic Characterization of Emulsions Generated with a New Laser-Assisted Device
摘要： This paper presents a spectroscopic study of emulsions generated with a laser-assisted device. Fourier transform infrared (FTIR), Raman and UV–Vis–NIR reflectance spectra of emulsions, recorded before and after exposure to laser radiation were used to characterize the effect of laser irradiation. The paper also presents a comparison between the calculated IR spectra and the experimental FTIR spectra of an emulsion’s components. FTIR measurements allowed the identification of absorption bands specific to each of the emulsions’ components. Moreover, it enabled the observation of destabilization of the emulsion in real-time. Raman spectroscopy allowed the observation of the modifications at a molecular level, by identifying the vibrations of the representative functional groups and the polymerization of sodium tetradecyl sulfate (STS) molecules by analyzing the evolution of the carbonyl band. UV–Vis–NIR reflectance spectra of emulsions before and after exposure to laser radiation showed that the physical characteristics of the emulsions changed during irradiation—the dimensions of the droplets decreased, leading to an emulsion with a better time stability. These results proved that the employed spectroscopy techniques were powerful tools in emulsion analysis.
关键词： UV–Vis–NIR reflectance spectroscopy,FTIR spectroscopy,emulsion,Raman spectroscopy
更新于2025-09-23 15:19:57