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.

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.

Molecular interactions between anticancer drugs and iodinated contrast media: An in vitro spectroscopic study

Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spectroscopy (UV-Vis). Materials and Methods: Iopamidol (IPM) was used as an iodinated contrast medium, and mitomycin C (MTI), epirubicin hydrochloride (EPI), cisplatin (CDDP), 5-fluorouracil (5FU), irinotecan hydrochloride (CPT11), gemcitabine hydrochloride (dFdC), carboplatin (CBDCA), oxaliplatin (1OHP), paclitaxel hydrochloride (TAX) and docetaxel trihydrate (TXT) were used as anticancer drugs. For FT-IR, the purified IPM was mixed stoichiometrically with each anticancer drug as well as with a combination of MTI and EPI. After measuring each separated sample and the mixtures, the spectra of the mixtures were compared with the spectra of the sum of pure samples or the combination. For UV-Vis, IPM and anticancer drugs were dissolved in pure water;subsequently for the titration experiments, the mixtures were prepared by varying the molar ratio. IR absorption corresponds to stretching vibrations between atoms having covalent bonding, whereas UV-Vis spectra depend on molecular dynamics and shapes. Both UV-Vis and IR spectra change when there are molecular interactions such as aromatic ring stacking and hydrogen bonding. Result: IPM exhibited molecular interactions with MTI, EPI, CDDP, dFdC, CBDCA, 1OHP, TAX and TXT, as well as with the combination of MTI and EPI on FT-IR. However, molecular interactions were not observed on UV-Vis. Conclusion: Several anticancer drugs have molecular interactions with IPM, which could be clinically utilized for superselective intraarterial infusion chemotherapy.

Determination of Salbutamol Sulfate Content by Molecular Spectroscopy with Cu2+ as a Medium

Salbutamol sulfate was coordinated with Cu2+ when pH was 10, and the characteristic absorption peak of the complex was generated at 334 nm. The absorption intensity of the complex was in linear relation with the concentration of salbutamol sulfate. The regression equation was A=0.011 ρsalbutamol sulfate-0.123 0, correlation coefficient r=0.999 5, and the detection limit was 4.6 μg/ml. It was used for the determination of salbutamol sulfate samples successfully. The recovery rate was 100.5%-103.0%, and the RSD was 1.5%.

Revealing the working mechanism of a multi-functional block copolymer binder for lithium-sulfur batteries

The lithium-sulfur(Li-S)battery is one of the most promising substitutes for current energy storage systems because of its low cost,high theoretical capacity,and high energy density.However,the high solubility of intermediate products(i.e.,lithium polysulfides)and the resultant shuttle effect lead to rapidly fading capacity and a low coulombic efficiency,which hinder the practical application of Li-S batteries.In this study,block copolymers are constructed with both an ethylene oxide unit and a styrene unit and then used as binders for Li-S batteries.Electrochemical performance improvements are attributed to the synergistic effects contributed by the different units of the block copolymer.The ethylene oxide unit traps polysulfide,which bonds strongly with the intermediate lithium polysulfide,and enhances the transport of lithium ions to reach high capacity.Meanwhile,the styrene unit maintains cathode integrity by improving the mechanical properties and elasticity of the constructed block copolymer to accommodate the large volume changes.By enabling multiple functions via different units in the polymer chain,high sulfur utilization is achieved,polysulfide diffusion is confined,and the shuttle effect is suppressed during the cycle life of Li-S batteries,as revealed by operando ultraviolet-visible spectroscopy and S Kedge X-ray absorption spectroscopy.

Spectra of Linear Polyene Molecule-canthaxanthin

Raman spectra and ultraviolet-visible（UV-Vis） absorption spectra of linear polyene molecule-canthaxan-thin in n-hexane are measured and analyzed.In addition,the optimized structure of canthaxanthin was calculated via density functional theory（DFT） functional B3LYP.With decreasing the concentration,Raman scattering cross section （RSCS） of fundamental frequency is extremely high,and the UV-Vis absorption bands become narrower.The results of coherent weakly damped electron-Lattice vibration model were analyzed.

Impact of Management Practices on Water Extractable Organic Carbon and Nitrogen from 12-Year Poultry Litter Amended Soils

Water extractable organic carbon (WEOC) and nitrogen (WEON) are two key parameters of soil water extractable organic matter (WEOM). Proper management of manure application rate in combination with tillage and cropping management could maintain appropriate WEOC and WEON concentrations in soils while decreasing the risk of their runoff from cropland and pastures. The objective of this research was to determine the effect of poultry litter (PL) application on WEOC and WEON in soils under different crops, tillage regimes, and grazing strategies. From 2001 to 2012, PL was applied at multiple rates to cultivated fields in a corn-oat/wheat-hay rotation or to pastures grazed by cattle or ungrazed. Soil samples (0 - 15 cm) were analyzed for KCl-extractable mineral N, and WEOC, and WEON contents. In addition, Ultraviolet-visible (UV-vis) and fluorescence spectroscopies were used to characterize WEOC stability. Organic N levels were higher at the high PL application rates. The soil C:N ratio narrowed as the PL application rate increased. However, the soil from pastures which received PL tended to have a wider range of C:N ratios than soil from the cultivated fields, despite identical PL application rates. The spectral analyses indicated that WEOC properties were responsive to management and PL application rate;therefore, this parameter may be used as a guide to provide best management strategy for manure application.

Extraction Process of Total Flavonoids from Eucommiae Cortex and Its in vitro Antioxidant Activity

[Objectives]To optimize the extraction process of total flavonoids from Eucommiae Cortex,establish the extraction and content determination methods of its medicinal materials,and study its in vitro antioxidant activity.[Methods]The total flavonoids from Eucommiae Cortex were extracted by reflux extraction method,and the effects of extraction method,extraction solvent concentration,extraction volume,and extraction time on the total flavonoids content of the medicinal materials were explored through the single factor experiment.Orthogonal experiment was carried out to optimize the extraction process conditions,and the optimal extraction process for total flavonoids from Eucommiae Cortex was screened out.The total antioxidant capacity index was used to determine the free radical scavenging ability of the total flavonoids from Eucommiae Cortex.[Results]The optimal extraction process of total flavonoids from Eucommiae Cortex was 50%ethanol,1∶40 solid-to-liquid-ratio,and 1.5 h reflux extraction time.Through the antioxidant experiment in vitro,it is found that the total flavonoids from Eucommiae Cortex have a higher scavenging ability for the total antioxidant capacity,and there is a certain positive correlation with the mass concentration of total flavonoids.[Conclusions]This method can effectively determine the total flavonoids content of Eucommiae Cortex medicinal material,and provide a certain scientific basis for the quality standard research of the medicinal material.The total flavonoids from Eucommiae Cortex have good in vitro antioxidant activity.And the method for extracting total flavonoids from Eucommiae Cortex medicinal material in this experiment has good repeatability,high stability and feasibility.

Resonance scattering spectroscopy of gold nanoparticle

The gold nanoparticles in diameter of 10-95 nm have been prepared by Frens procedure, all of which exhibit a resonance scattering peak at 580 nm. The mechanism of resonance scattering for gold nanoparticle has been considered according to the wave motion theory of nanoparticle in liquid. The principle of superamolecular interface energy band(SIEB) has been set up and utilized to explain the relationship between the diameter and colors for gold nanoparticle in liquid. A novel spectrophotometric ruler for the determination of the diameter has been proposed according to the relationship of the maximum absorption wavelength and diameter.

Studies on the Interaction between Rutin and DNA in the Absence and Presence of β-Cyclodextrin by Electro- chemical and Spectroscopic Methods

The interactions between rutin or the inclusion complex of rutin-b-cyclodextrin and DNA were investigated by means of cyclic voltammetry, UV-vis absorption spectroscopy and fluorescence emission spectroscopy. The appar-ent binding constant of rutin with DNA is found to be 2.9×104 L/mol. The results showed that the ben-zopyranic-4-one plane of rutin mainly intercalated into DNA in the absence of b-cyclodextrin, while the catecholic portion of rutin was located in the double helix of DNA in the presence of b-cyclodextrin.

Mutual influence of copper and paraquat on their adsorption in soil

Paraquat and copper (Cu) are commonly used and detected in soil.Therefore,it is important to understand their mobility in the environment.In this study,the competitive effects of paraquat and Cu on their adsorption in five representative Chinese soils were investigated using batch adsorption equilibrium experiments and spectroscopic analysis.The results showed that the adsorption of paraquat in soil varied with soil type and was positively correlated with both soil cation exchange capacity and organic matter content.Paraquat exerted a more remarkable suppression effect on the adsorption of Cu than Cu on the adsorption of paraquat.In the presence of 0.12 and 0.19 mmol L-1paraquat,Cu adsorption decreased by 16%and 22%in Heilongjiang soil and by 24%and37%in Jiangxi soil,respectively.In the presence of 0.1 and 0.2 mmol L-1Cu,paraquat adsorption decreased by 4%and 8%in Heilongjiang soil and by15%and 19%in Jiangxi soil,respectively.Exchange selectivity involving symmetric cation (paraquat2+and Cu2+) exchange is the probable basis for the suppression effect.The ultraviolet-visible absorption experiments suggested that the formation of Cu-paraquat complexes was unlikely to happen in a solution or at the soil surface.Copper K-edge X-ray absorption spectroscopy indicated that Cu in soil may have some water as hydration layers as the nearest neighbors,and each Cu atom was coordinated with five oxygen atoms.These findings greatly improve our knowledge of the molecular-scale adsorption mechanisms of paraquat and Cu in soil and can be used to predict the behavior,transport,and fate of paraquat and Cu in agricultural soils.

Spectral characteristics of dissolved organic matter in sediment pore water from Pearl River Estuary

As key parts of land-sea transition zones,estuary ecosystems play a very important role in the ocean carbon cycle processes.The sources,degradation,and preservation of dissolved organic matter(DOM)in estuaries have long been the subject of intense study.To examine the aforementioned issues,this study examined three-dimensional fluorescence spectroscopy and ultraviolet-visible absorption spectroscopy to determine the spatial distribution and sources of DOM in the pore water of three sedimentary cores from the Pearl River Estuary(S1,S2 and S3,with increasing salinity).Using the parallel factor analysis(PARAFAC)method to analyze the three-dimensional fluorescence spectrum data,five fluorescent components were obtained—three humic-like components(C1,C3,and C4),and two protein-like components(C2 and C5).C2 exhibited a significant positive correlation with the sediment microbial deoxyribose nucleic acid(DNA)concentration(R~2=0.69,P<0.01),indicating that the protein-like component C2 might be derived from the catabolism of in situ microbes.C5 displayed a relatively weak correlation with DNA concentration(R~2=0.40,P<0.05),presumably due to the incorporation of phenolic compounds,which have a fluorescence peak very similar to that of protein-like components.The source of humic-like fluorescent components is extremely complex.The content at station S1 was relatively high(1.45–8.83 R.U.),which implies that terrestrial inputs had a significant influence.The three humic-like components showed similar distributions at S2 and S3,and the fluorescence intensity was rather low;this result indicates that the DOM at these two stations was more likely affected by the metabolism of algae and microorganisms.The humification index(HIX)and the fluorescence intensity of protein-like components increased and decreased,respectively,with depth.There was a significant positive correlation between the relative content of protein-like components and the spectral slope ratio(SR),which indicates that DOM transitioned from low-molecular-weight protein-like components in the surface sediment to high-molecular-weight humic-like components in the subsurface.This study provides valuable information for understanding the pore water size/reactivity(PWSR)model of DOM and its biochemical processes occurring in estuary sediments.