Calibration-free wavelength modulation spectroscopy for gas concentration measurements under low-absorbance conditions

We derive the expressions of the first and second harmonic signals on the basis of absorption spectral and lock-in theories, and determine the gas concentration according to the ratio of second and first harmonic signals. It is found that the X and Y components of the harmonic signals are influenced by the phase shift between the detection and reference signal, and the phase shift can be any value in a range from 0 to 2π, which is different from the results obtained previously. Meanwhile, an additional item caused by the residual amplitude modulation will make a great contribution to the second harmonic signal, and may not be neglected under low absorbance conditions. Theoretical analysis indicates that subtracting back-ground signal from the second harmonic signal can remove the influence of this item, and can improve the measurement accuracy of gas concentration. On this basis, we select the transition of CO2 at 6527.64 cm-1 to analyse the approximation errors during the derivation by numerical simulation and then measure the CO2 concentration under low absorbance conditions, with absorbance varying from 1‰ to 6‰.

Application of Two-Dimensional Correlation UV-Vis Spectroscopy in Chinese Liquor Moutai Discrimination

Chinese liquor Moutai is the “National alcoholic drink” in China and plays a very important role of social activities in Chinese people’s life. In pursuit of high profits, some illegal counterfeit Moutai liquors have begun to appear in the market. Therefore, it is an urgent need for new techniques to discriminate the genuine and counterfeit Moutai liquor. In this work, the conventional Ultraviolet-Visible (UV-Vis) spectroscopy and two-dimensional correlation UV-Vis spectroscopy are applied to obtain the UV-Vis characteristic of Moutai liquor and counterfeit one, respectively. The experimental results reveal that the conventional UV-Vis spectra of the genuine and counterfeit Moutai liquor are similar. However, the two-dimensional correlation UV-Vis spectra of them are different and this method would be applied to differentiate the counterfeit Moutai liquor from the genuine Moutai liquor. Compared with conventional methods, this novel method has the advantages of easy operation, simple instrumentation and direct recognition, which make it a potential tool in the fields of food safety.

Sensitivity Enhancement in Uranium Determination by UV-Visible Spectroscopy Using Ion Imprinted Polymer

There is need to determination of uranium concentration at ppb level in environmental matrices.Due to low sensitivity of FAAS,UV-Visible Spectroscopy is generally used as measurement technique.In this study,ion-imprinted polymers(IIP)were prepared for uranyl ion(imprint ion)by formation of ternary(salicylaldoxime and 4-vinylpyridine)complex in 2-methoxy ethanol(porogen)following copolymerization with methacrylic acid(MAA)as a functional monomer and ethylene glycol dimethacrylate(EGDMA)as crosslinking monomer using 2,2-azobisisobutyronitrile as initiator.The synthesized polymers were characterized by FTIR and TGA analysis.ArsenazoⅢin 3M HClO_4 was used as complexing agent in the measurement step.The optimal pH for preconcentration was found to be between 3.5~6.5values.The developed method was applied to uranium(Ⅵ)determination in natural water samples.

UV-Vis Spectroscopy Study on Interaction between Microperoxidase-11 and Pr Ion Under Acid Rain Stress

Interaction between rare earth ion praseodymium (Pr(Ⅲ)) and MP11 with/without hydrogen ion (H +) in different media( aqueous, phosphate buffer, physiological condition) were studied by UV Vis spectroscopy. All the results indicate that Pr(Ⅲ) interacts with MP11, increasing the non planarity of porphyrin periphery, leading MP11 to form two conformations when titrated by Pr(Ⅲ). Excessive Pr(Ⅲ) acts as a contaminant in living organism. H + and Pr(Ⅲ) have antagonistic effect on MP11, suggesting that at suitable concentration under physiological conditions, Pr(Ⅲ) can be used as biomodulator in protecting plants from acid rain stress or in rehabilitating the harm.

Raman and UV-Vis Spectroscopy Applied to the Analysis of Liver Tissues from Rats with Myocardial Ischemia Induced by Isoproterenol

The application of the laser Raman spectroscopic（LRS） technique for the analysis of liver tissues from rats with myocardial ischemia induced by isoproterenol（ISO） was described.Animal model of myocardial ischemia was established for rats induced by ISO.Rats were randomly divided into four groups as normal group and myocardial ischemia groups.We observed the successful myocardial ischemia model via serum enzymes levels and hematoxylin-eosin（HE） staining,and detected the liver tissue of the rats from normal group and liver tissue of the rats from myocardial ischemia groups via UV-Vis spectroscopy（UV-Vis） and LRS,and the changes of the absorbance spectra were compared in the above four different groups.The results show that ISO can induce rat myocardial ischemia successfully.The spectrum of normal liver tissue supernatant exhibits a strong absorption band at 968 nm,but no absorption band appears in the spectra of liver tissue supernatant solutions from the rats with myocardial ischemia induction after 2,12 and 72 h presented at 968 nm.LRS results show that Raman intensities of the precipitates suffered from ISO-treatment after 2,12 and 72 h were obviously increased compared with that of the precipitate of the liver tissue of the normal rats suffered from 0.9 g/L normal saline（NS） treatment.These results indicate that LRS and UV-Vis can be harmless,nondestructive,rapid and effective methods for analyzing different pathological specimens of liver tissue from myocardial ischemia rats.

Electrocatalytic Oxidation of Hypophosphite on Nickel Electrode ──In Situ UV-Vis Spectroscopic study

The electrocatalytic oxidation of hypophosphite on a nickel electrode has been studiedby means of in site UV-Vis subtractive reflectance spectroscopy. An absorbency band around 245um . which was ascribed to the formation of an intermediate, PHO2-, was observed in theelectrocatalytic oxidation process. Accordingly, the electrocatalytic oxidation of hypophosphitemight undergo a H abstraction of hypophosphite from the P-H bond to form the phosphoruscentred radical PHO2-, which is subsequently electrooxidized to the final product, phosphite.

Quality Control of Tramadol in Kisangani: Development, Validation, and Application of a UV-Vis Spectroscopic Method

Context: Substandard and falsified medicines are circulating in low-income countries mostly without any control. We availed a simple and not expensive UV-Vis spectroscopic method to evaluate the quality of tramadol in Kisangani before and during the Covid-19 period. Methods: For the analytical quantitative method, an experimental design was applied to set up the optimal levels of the selected factors, namely, pH of dissolution medium, type of cuvette, and wavelength. Taking into account the capsule pharmaceutical formulation within 80 - 120 μg·mL-1 concentration range, we analyzed 89 tramadol samples from pharmacies and hospitals of the six Kisangani municipalities. Results: pH showed a significant effect on absorbance, whereas quartz cuvette and wavelength did not. A typical 100 μg·mL-1 tramadol solution gave an absorbance of 0.64 at 272 nm. Validation highlighted a matrix effect observed with a 6% bias. A correction factor of 0.9372 allowed to improve the accuracy profile, which were then totally included within the 10% acceptance limits. Quality control revealed that 25 samples out of 89 were not compliant in terms of manufacturing license, registration status in DRC and content as well. Conclusion: This study showed that the strengthening of analytical strategy in Kisangani is a need.

Effect of Temperature on Optical Properties of Vegetable Oils Using UV-Vis and Laser Fluorescence Spectroscopy

UV-Vis absorption and fluorescence spectroscopy are used to test the quality and changes in the composition of extra virgin olive oil (EVOO) and canola oil (CO) with temperature. The increase of temperature caused a change in the molecular structures of both types of oils seen as a gradual decrease of intensity amplitudes of absorption and fluorescence signals. A significant alteration occurred at ≈200&#176C where almost the main spectra of pheophytin-a, b, carotenoids, lutein and vitamin E in EVOO and linoleic acid and oleic acid in CO disappeared. An independent experiment showed the output of laser changes linearly with the input in oil at constant temperature (i.e., room temperature) where the transmission values of ≈33% and ≈75% are determined for EVOO and CO respectively. However, the transmission through a heated oil exhibited a non-linear behaviour which indicates the molecular optical response to thermal changes. The effect of storage time and adulteration of oils were also evaluated.

In-situ UV-Vis Spectroscopy of Trisulfur Radicals in Lithium-Sulfur Batteries

Here we employ in-situ UV-Vis spectroscopy to monitor the sulfur redox reaction with oxygen-containing molecules as an additive,for example,biphenyl-4,4′-dicarboxylic acid(BDC).Furthermore,Raman spectrum,electron paramagnetic resonance(EPR),and electrospray ionization-mass spectrometry(ESI-MS)measurements reveal that the formation of BDC-S_(3)•^(‒)complexes can establish the long-term stability of polysulfide radicals,change the kinetics of sulfur redox reaction,and then generate decent capacity retention and rate capability.According to the density functional theory(DFT)analysis,S_(3)•^(‒)radicals are the underlying product of S_(6)^(2‒)cleavage,owing to the decreased chemical energy and the increased stability of S_(3)•^(‒)radicals through Lewis acid-base interaction.The assembled Li-S batteries with BDC additive deliver a high reversible capacity of 420 mA·h·g^(−1)over 200 cycles with over 98%Coulombic efficiency,under the current density of 0.2 C.

Crystal Growth of Cu6(Ge,Si)6O18·6H2O and Assignment of UV-VIS Spectra in Comparison to Dehydrated Dioptase and Selected Cu(II) Oxo-Compounds Including Cuprates

Low-dimensional quantum spin systems with the Cu2+ central ion are still in the focus of experimental and theoretical research. Here is reported on growth of mm-sized single-crystals of the low-dimensional S = 1/2 spin compound Cu6(Ge,Si)6O18·6H2O by a diffusion technique in aqueous solution. A route to form Si-rich crystals down to possible dioptase, the pure silicate, is discussed. Motivated by previously reported incorrect assignments of UV-VIS spectra, the assignment of dd excitations from such spectra of the hexahydrate and the fully dehydrated compound is proposed in comparison to dioptase and selected Cu(II) oxo-compounds using bond strength considerations. Non-doped cuprates as layer compounds show higher excitation energies than the title compound. However, when the antiferromagnetic interaction energy as Jz·ln(2) is taken into account for cuprates, a single linear relationship between the Dqe excitation energy and equatorial Cu(II)-O bond strength is confirmed for all compounds. A linear representation is also confirmed between 2A1g energies and a function of axial and equatorial Cu-O bond distances if auxiliary axial bonds are used for four-coordinated compounds. The quotient Dt/Ds of experimental orbital energies deviating from the general trend to smaller values indicates the existence of H2O respectively Cl−axial ligands in comparison to oxo-ligands, whereas larger Dt/Dqe values indicate missing axial bonds. The quotient of the excitation energy 2A1g by 2·2Eg-2B2g allows checking for correctness of the assignment and to distinguish between axial oxo-ligands and others like H2O or Cl−.

基于可见-近红外光谱技术的果蔬品质检测方法

可见-近红外光谱技术利用波长在380~2 500 nm的电磁波获取果蔬中有机分子含氢基团的特征信息,根据样品对不同波长光的吸收信息,实现果蔬的外部、内部缺陷及营养成分定性、定量分析,是目前主流的果蔬内外部品质快速无损检测技术。综述了目前基于吸光度谱和能量谱对果蔬营养物质含量定量分析及缺陷定性分析,所使用的检测模型和变量筛选模型及其检测准确性,为相关研究人员选择高效准确的检测模型提供技术支撑。

基于光谱法分析纳滤截留典型消毒副产物相关性研究

为提高北方某给水厂水资源利用率,采用纳滤工艺对超滤产水进行深度处理,对比研究了5种纳滤膜(T膜、H膜、F膜、N270膜与N90膜)对出水水质的提升效果,探讨了三维荧光及紫外(差分)光谱法对典型消毒副产物(DBPs)的指示作用。结果表明,N90膜对超滤产水中的三氯甲烷(TCM)和一溴二氯甲烷(BDCM)的截留率最为理想,分别为76.29%和100%,N270膜次之,而T膜截留效果最差。采用三维荧光平行因子分析法(EEM-PARAFAC)分析纳滤进出水得到C1类富里酸、C2类腐殖酸以及C3微生物代谢产物,同时利用差分光谱进行高斯拟合得到A1~A44个特征峰。基于EEM-PARAFAC分析得到的C2组分与TCM相关性最高为0.83,通过差分光谱分析得到的A3与BDCM相关性最高0.68。

XPS study of surface absorbed oxygen of ABO_3 mixed oxides

Perovskite-type complex oxides ABO3 （A=Sr, La; B=Mn, Fe, Co） were prepared by citric acid method. The degradation of water-solubilized dyes was carried out using the mixed oxides as photocatalyst. The surface absorbed oxygen was analyzed using X-ray photoelectron spectroscopy （XPS）. The results indicated that there was a relationship between the photocatalytic activity and the content of the surface absorbed oxygen. The higher the content of the surface absorbed oxygen was, the better the performance of the photocatalyst.

Sensitive absorption measurements of hydrogen sulfide at 1.578 μm using wavelength modulation spectroscopy

Sensitive detection of hydrogen sulfide（H2S） has been performed by means of wavelength modulation spectroscopy（WMS） near 1.578 μm. With the scan amplitude and the stability of the background baseline taken into account, the response time is 4 s for a 0.8 L multi-pass cell with a 56.7 m effective optical path length. Moreover, the linearity has been tested in the 0–50 ppmv range. The detection limit achievable by the Allan variance is 224 ppb within 24 s under room temperature and ambient pressure conditions. This tunable diode laser absorption spectroscopy（TDLAS） system for H2 S detection has the feasibility of real-time online monitoring in many applications.

Spectroscopic Analysis of Organophosphorus Pesticides Using Colorimetric Reactions

The UV-Vis and infrared(IR)absorption spectra of organophosphorus(OP)pesticides have been studied.A correlation in spectra was developed to optimize the OP pesticides in the environments.The spectroscopic(UV-Vis and IR)spectrum of OP pesticides like methyl parathion,malathion and parathion has been interpreted in detail.A complete calculation of the normal frequencies and absolute intensities of UV-Vis and IR absorption bands are interpreted with the help of corresponding experimental data.In the colorimetric reactions,the bands appear at 2 077,1 637,1 455,1 015,655cm^(-1) for malathion;2 081,1 639,1 316,1 015,794,683cm^(-1) for parathion;2 078,1 632,1 032,794cm^(-1) for methyl parathion were used for quantitative or qualitative analysis.All these IR spectra were acquired by averaging 100 scans at a resolution of 4cm^(-1).It is determined experimentally in the region 200~450nm for UV-Vis absorption bands and in the region 400~4 000cm^(-1) for IR absorption bands.It is concluded that the mainly optically active groups(P—OH, C=O,P=O, C—O—C,P—O—C, P=S, —OH)present in pesticides which are responsible in change in significant data for quantitative and qualitative analysis.The various optical properties like wavelength,band energy,wave number,and frequency,also are calculated.

Mossbauer spectroscopy studies on the particle size distribution effect of Fe–B–P amorphous alloy on the microwave absorption properties

An Fe-based nanocrystalline alloy powder is important for application in microwave absorption,and the particle size has a critical impact on the electromagnetic microwave parameters.Therefore,it is necessary to study further the effects of the particle size on such parameters and improve the microwave absorption performance of Febased nanocrystalline powers.In this study,Fe-B-P particles were prepared through a synthetic approach consisting of an aqueous chemical reduction and a ball milling treatment.We investigated the effects of ball milling on the microstructure and electromagnetic properties of Fe-B-P particles.The experimental results indicate that the Fe-B-P particles synthesized through an aqueous chemical reduction are amorphous spheres.Fe-B-P particles with an original particle size of 200-1200 nm can be milled into an irregular shape with the size reduced to\500 nm after 0.5 h of ball milling,and subsequently,the particles become smaller with increases in the milling time,with traces of Fe2O3 generated on the particle surface.The results of the Mo¨ssbauer spectra show that a portion of the small particles demonstrate a superparamagnetic property.The volume proportions of the superparamagnetic component increase from 13.1 to 15.8%as the treatment time increases.We measured the permittivity and permeability spectra of Fe-B-P particles within the frequency range of 2-18 GHz.The reflection loss(RL)is-10 dB for an absorber thickness of 1.7-5.0 mm.The RL is-20 dB for an absorber thickness of 1.9-2.7 mm.The microwave absorption properties of samples with the same thickness are improved with an increase in the treatment time and are shifted to a higher frequency,which will broaden the bandwidth of the absorption as well.

Spectroscopic analysis of the interaction between tetra-(p-sulfoazophenyl-4-aminosulfonyl)-substituted aluminum(Ⅲ)phthalocyanines and serum albumins

The binding interaction between tetra-(p-sulfoazophenyl-4-aminosulfonyl)-substituted aluminum(Ⅲ)phthalocyanine(AIPc),and two-serum albumins(bovine serum albumin(BSA)and human serum albumin(HSA))has been investigated.AlPc could quench the intrinsic fuorescence of BSA and HSA through a static quenching process.The primary and secondary binding sites of AlPc on BSA were domainⅠandⅢof BSA.The primary binding site of AIPc on HSA was domainⅠ,and the secondary binding sites of AlPc on HSA were found at domainsⅠandⅡ.Our results suggest that AIPc readily interact with BSA and HSA implying that the amphiphilic substituents AIPc may contribute to their transportation in the blood.

Study of second-order nonlinear hyperpolarisability of all-trans-β-carotene in solutions by linear spectroscopic technique

This paper demonstrates the second-order nonlinear hyperpolarisability γ of all-trans-β-carotene in different solvents by linear spectroscopic technique that is based on resonance Raman scattering and UV-VIS （Ultraviolet-visible） absorption spectroscopy. Owing to the two-level model well describing the link that exists between the resonance Raman scattering and stimulated Raman scattering, the stimulated Raman polarisability αR can be calculated through the two-photon resonance system. The value of γ of all-trans-β-carotene in carbon bisulfide solution is 6.435×10^-33 esu （1 esu of resistance = 8.98755×10^11Ω） that is close to the true value, because the solution of all-trans-β-carotene in carbon bisulfide satisfies the rigid resonance Raman scattering condition. This method is expected to be worthy of applications to measure the second-order nonlinear hyperpolaxisability of a conjugate organic molecule.

Apply X-Ray Fluorescence and γ-Ray Spectroscopy to Analyze Igneous and Sedimentary Environmental Samples of Al-Atawilah (Al-Baha), Saudi Arabia

Igneous and sedimentary rocks contain an amount of natural radioactivity (NORM). U-238, Th-232 and their decay products, and K-40 are important sources of gamma-radiation. Knowledge of the radionuclide content of rocks is necessary to estimate the exposure of the population to the radiation. Many types of rocks are used in building and industries, thus the radiation detection is important, it provides a baseline map of levels of the radioactivity in the study region. The purpose of this study is to evaluate the activity concentrations of the natural radionuclides (U-238 (Ra-226), Th-232 and K-40) and the fallout nuclide (Cs-137) (if found) in thirty samples of igneous and sedimentary rocks of Al-Atawilah (Al-Baha). The samples were collected and prepared during 2018/2019, and analyzed with a good experimental instrument (High energy resolution γ-ray spectroscopy with HPGe detector), also these rock samples were analyzed with X-ray fluorescence to subdivided these rocks based on the major oxides proportions contained of each sample. The mean activity concentrations of naturally radionuclides were found in the igneous rock samples varied depending on the type of the igneous rock. For sedimentary rock samples, the activity concentrations were found high for quartz sandstone sample, which may be due to its high proportion of SiO2 and K2O. The estimated mean values of absorbed dose rate are within the permissible limit value. The findings indicate high dose level values in granite (rhyolite) and most of diorite (andesite) igneous rock samples while gabbro (basalt) igneous rock samples (except for one sample) record low levels of dose rate. All sedimentary rock samples have low dose rate (except for the quartz sand-stone sample).

Electrochemical and Spectroscopic Studies on Interaction between Complex of Copper(Ⅱ) with Schiff Base Ligand and DNA

The crystal structure of ([CuL(H_2O)_2](ClO_4)_2·2H_2O, CuL)(L=N-(5-sulfosalicylidene)-4′-bromoaniline) was determined by means of X-ray crystallography. The interaction between CuL and salmon sperm DNA in a 0.1 mol/L HOAc-NaOAc buffer solution(pH 5.10) was investigated by cyclic voltammetry and UV-Vis spectroscopy. A couple of redox peaks of CuL in the cyclic voltammograms(CV) can be seen at the glassy carbon electrode. It was found that the peak current of CuL decreased significantly with a negative shift of the peak potential in the presence of DNA compared with that in the absence of DNA. In addition, the decreased absorbance of CuL was observed with increasing the concentration of DNA; the absorption spectrum of an ethidium bromide(EB)-DNA system in the presence of CuL confirms that the binding mode of CuL to DNA is different from the intercalation of EB with DNA. All the experimental results indicate that CuL can bind to DNA by electrostatic binding and form a 1∶1 association complex with a binding constant of 2.72×10 4 L/mol.