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《Analytical letters》2012,45(18):2914-2930
AbstractAmerican Petroleum Institute (API) gravity is an important parameter in the crude oil industry and the nitrogen compounds are related to the toxic effects of the oil in refineries and the environment. In this paper, 194 crude oil samples with API gravities ranging from 11.4 to 57.5 were used for the purpose of estimating the physicochemical properties: API gravity, total nitrogen content (TNC) and basic nitrogen content (BNC). Initially, infrared spectra in the mid and near regions (MIR and NIR) were collected, then full-spectral partial least squares (PLS) and the orthogonal projections to latent structures (OPLS) chemometric models were developed and validated, as well as models using interval PLS (iPLS), synergy interval PLS (siPLS) and competitive adaptive reweighted sampling PLS (CARSPLS) as variable selection tools. For API gravity and TNC, the best calibration technique is the NIR CARSPLS with a root mean square error of prediction (RMSEP) values of 0.9 and 0.0275?wt%, respectively. For BNC, the best technique is MIR siPLS with a prediction error of 0.0134?wt%. The results were validated based on the evaluation of the figures of merit, a statistical evaluation of the accuracy, characterization of the systematic error and measurement for errors in the residues. The results were satisfactory considering the high variability of the data and the diversity of the samples, demonstrating suitable applicability for practical analysis. 相似文献
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The current understanding of deviations of human microbiota caused by antibiotic treatment is poor. In an attempt to improve it, a proof-of-principle spectroscopic study of the breath of one volunteer affected by a course of antibiotics for Helicobacter pylori eradication was performed. Fourier transform spectroscopy enabled searching for the absorption spectral structures sensitive to the treatment in the entire mid-infrared region. Two spectral ranges were found where the corresponding structures strongly correlated with the beginning and end of the treatment. The structures were identified as methyl ester of butyric acid and ethyl ester of pyruvic acid. Both acids generated by bacteria in the gut are involved in fundamental processes of human metabolism. Being confirmed by other studies, measurement of the methyl butyrate deviation could be a promising way for monitoring acute gastritis and anti-Helicobacter pylori antibiotic treatment. 相似文献
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Combined Experimental and Multivariate Model Approaches for Glycoalkaloid Quantification in Tomatoes
Gabriella Tamasi Alessio Pardini Riccardo Croce Marco Consumi Gemma Leone Claudia Bonechi Claudio Rossi Agnese Magnani 《Molecules (Basel, Switzerland)》2021,26(11)
The intake of tomato glycoalkaloids can exert beneficial effects on human health. For this reason, methods for a rapid quantification of these compounds are required. Most of the methods for α-tomatine and dehydrotomatine quantification are based on chromatographic techniques. However, these techniques require complex and time-consuming sample pre-treatments. In this work, HPLC-ESI-QqQ-MS/MS was used as reference method. Subsequently, multiple linear regression (MLR) and partial least squares regression (PLSR) were employed to create two calibration models for the prediction of the tomatine content from thermogravimetric (TGA) and attenuated total reflectance (ATR) infrared spectroscopy (IR) analyses. These two fast techniques were proven to be suitable and effective in alkaloid quantification (R2 = 0.998 and 0.840, respectively), achieving low errors (0.11 and 0.27%, respectively) with the reference technique. 相似文献
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Generation of a mid-infrared broadband polarized supercontinuum in As<sub>2</sub>Se<sub>3</sub> photonic crystal fibers 下载免费PDF全文
A simplified structure of birefringent chalcogenide As 2 Se 3 photonic crystal fiber(PCF) is designed.Properties of birefringence,polarization extinction ratio,chromatic dispersion,nonlinear coefficient,and transmission are studied by using the multipole method,the finite-difference beam propagation method,and the adaptive split-step Fourier method.Considering that the zero dispersion wavelength of our proposed fiber is about 4 μm,we have analysed the mechanism of spectral broadening in PCFs with different pitches in detail,with femtosecond pulses at a wavelength of 4 μm as the pump pulses.Especially,mid-infrared broadband polarized supercontinuums are obtained in a 3-cm PCF with an optimal pitch of 2 μm.Their spectral width at 20 dB reaches up to 12 μm.In the birefringent PCF,we find that the supercontinuum generation changes with the pump alignment angle.Research results show that no coupling between eigenpolarization modes are observed at the maximum average power(i.e.,37 mW),which indicates that the polarization state is well maintained. 相似文献
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Coupling characteristics of high birefringence dual-core As2S3 rectangular lattice photonic crystal fiber 下载免费PDF全文
A type of As2S3 chalcogenide glass mid-infrared dual-core photonic crystal fiber has been proposed. The dual-core photonic crystal fiber (PCF) consists of two asymmetric cores. The high polarization property and the coupling characteristics have been studied by using the finite element method and mode coupling theory. Numerical results show that the birefringence at wavelength λ = 10 μm is up to 0.01386 and the coupling length can reach wavelength λ = 5 μm, 261 μm and 271.44 μm for x-polarized mode and y-polarized mode, respectively. It demonstrates that a 6.786-mm-long fiber can exhibit an extinction ratio of better than -10 dB and a bandwidth of 180 nm. 相似文献
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K.D. Mynbaev A.V. Shilyaev A.A. Semakova E.V. Bykhanova N.L. Bazhenov 《Opto-Electronics Review》2017,25(3):209-214
Photoluminescence of HgCdTe epitaxial films and nanostructures and electroluminescence of InAs(Sb,P) light-emitting diode (LED) nanoheterostructures were studied. For HgCdTe-based structures, the presence of compositional fluctuations, which localized charge carriers, was established. A model, which described the effect of the fluctuations on the rate of the radiative recombination, the shape of luminescence spectra and the position of their peaks, was shown to describe experimental photoluminescence data quite reasonably. For InAs(Sb,P) LED nanoheterostructures, at low temperatures (4.2–100 K) stimulated emission was observed. This effect disappeared with the temperature increasing due to the resonant ‘switch-on’ of the Auger process involving transition of a hole to the spin-orbit-splitted band. Influence of other Auger processes on the emissive properties of the nanoheterostructures was also observed. Prospects of employing II–VI and III–V nanostructures in light-emitting devices operating in the mid-infrared part of the spectrum are discussed. 相似文献
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The influence of the width of a lattice-matched Al0.82In0.18N/GaN single quantum well (SQW) on the absorption coefficients and wavelength of the intersubband transition (ISBT) has been investigated by solving the Schrödinger and Poisson equations self-consistently. The wavelength of 1—2 ISBT increases with L, the thickness of the single quantum well, ranging from 2.88 μm to 3.59 μm. The absorption coefficients of 1—2 ISBT increase with L at first and then decrease with L, with a maximum when L is equal to 2.6 nm. The wavelength of 1—3 ISBT decreases with L at first and then increases with L, with a minimum when L is equal to 4 nm, ranging from approximately 2.03 μm to near 2.11 μm. The absorption coefficients of 1—3 ISBT decrease with L. The results indicate that mid-infrared can be realized by the Al0.82In0.18N/GaN SQW. In addition, the wavelength and absorption coefficients of ISBT can be adjusted by changing the width of the SQW. 相似文献
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本文通过求解薛定谔方程,理论探索了高次谐波及孤立阿秒脉冲在相位调制的单色中红外激光场中的产生.研究结果表明,通过加入含时相位啁啾小量,能够有效的提高高次谐波的产生效率,获得超宽平台谐波谱及超短孤立阿秒脉冲.特别是在相位为0.3π的基础上,同时加入啁啾小量βt,在β=0.3时,可得到带宽为822 e V的超连续高次谐波平台.最后通过叠加第二平台高次谐波,可得到带宽仅为2.7 as的孤立阿秒脉冲.且脉冲强度比没有加入啁啾小量的情况下显著增强. 相似文献