Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existen...Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existence of aromatic structure,heteroatom structure and fat structure in coal.MS(materials studio)software was used to optimize and construct a 3D molecular structure model of coal.A method for establishing a coal molecular structure model was formed,which was“determination of key structures in coal,construction of planar molecular structure model,and optimization of three-dimensional molecular structure model”.The structural differences were compared and analyzed.The results show that with the increase of coal rank,the dehydrogenation of cycloalkanes in coal is continuously enhanced,and the content of heteroatoms in the aromatic ring decreases.The heteroatoms and branch chains in the coal are reduced,and the structure is more orderly and tight.The stability of the structure is determined by theπ-πinteraction between the aromatic rings in the nonbonding energy EN.Key Stretching Energy The size of EB determines how tight the structure is.The research results provide a method and reference for the study of the molecular structure of medium and high coal ranks.展开更多
Flash pyrolysis of MnTC（ [Mn2（TNR）2（CHZ）2（H2O）4]·2H2O） and NiCT（ [Ni（CHZ）3]（TNR）·5H2O） is conducted by using T-jump/FTIR spectroscopy under 0.1 MPa Ar atmosphere. The mole fractions of the indi...Flash pyrolysis of MnTC（ [Mn2（TNR）2（CHZ）2（H2O）4]·2H2O） and NiCT（ [Ni（CHZ）3]（TNR）·5H2O） is conducted by using T-jump/FTIR spectroscopy under 0.1 MPa Ar atmosphere. The mole fractions of the individual products in the pyrolysis gas mixture are described as a function of time. Results show that NiCT appears to produce more N2O, NH3 and HONO upon flash pyrolysis, thus secondary oxidation reduction reactions may take place to a certain extent during its thermal decomposition, which in turn leads to unsteady combustion and possibly to failure of the device. While H2O and CO2 are the major two gas products of flash pyrolysis of MnTC, it warrants further in-depth trials for the adoption in detonators as coo-friendly and chemically compatible primary explosive. The two compounds both liberate volatile metal carbonate, oxide and isocyanate compounds.展开更多
Abstract:In the present work,studies the effect uv-radiation dose(5 J/cm2 to 360 J/cm2)with power 15 W to LR-115 track detector thickness 100μm.Absorbance-A was measured at wavelength 600 nm and 650 nm by usinguv-vis...Abstract:In the present work,studies the effect uv-radiation dose(5 J/cm2 to 360 J/cm2)with power 15 W to LR-115 track detector thickness 100μm.Absorbance-A was measured at wavelength 600 nm and 650 nm by usinguv-visible spectroscopy and measure the transmission percent--T%and deviation at the wavenumber-w2907 cm1 by using Fourier infrared--FTIR spectroscopy.The relationship between the dose of radiation to the uv-radiation(J/cm2)and the absorbance-A at wavelength 600 nm and 650 nm and the wavenumber-w 2907 cm-1 was calculate as a polynomial relation.The present study show that there is a possibility to use the detector LR-115 to assessment doses of exposure to uv-radiation in the medical and environmental fields.展开更多
Interactions between cement clinkers and clay minerals are crucial to the much lower strength of cement-based stabilized clays than concrete or mortar.In this paper,the kaolinite-based and montmorillonite-based clays ...Interactions between cement clinkers and clay minerals are crucial to the much lower strength of cement-based stabilized clays than concrete or mortar.In this paper,the kaolinite-based and montmorillonite-based clays were respectively stabilized by tricalcium silicate(C3S)and tricalcium aluminate(C3A),and measured by the unconfined compressive strength(UCS),29Si/27Al solid state nuclear magnetic resonance(SS-NMR),Fourier transform infrared spectroscopy(FTIR),and transmission electron microscope(TEM)to probe the clinker-clay mineral interaction from macro-mechanical,mineralogical,and microstructural perspectives.The results show that C3A-stabilized samples gain strength rapidly in the first 3 d but are only 20%e60%of the strength of C3S-stabilized ones after 60 d.Microstructures reveal that montmorillonite shows better pozzolanic reactivity due to its superior Sichain and lattice substitution compared to kaolinite.This interaction domains the engineering performance of stabilized clays,benefiting the design of stabilizer referring to as the industrial by-products and clay minerals.展开更多
[Objective] The aim was to indentify diseased leaves of broad bean by vibra- tional spectroscopy. [Method] In this paper, broad bean rust, fusarium rhizome rot, broad bean zonate spot, yellow leaf curl virus and norma...[Objective] The aim was to indentify diseased leaves of broad bean by vibra- tional spectroscopy. [Method] In this paper, broad bean rust, fusarium rhizome rot, broad bean zonate spot, yellow leaf curl virus and normal leaves were studied using Fourier transform infrared spectroscopy combined with chemometrics. [Result] The spectra of the samples were similar, only with minor differences in absorption inten- sity of several peaks. Second derivative analyses show that the significant difference of all samples was in the range of 1 200-700 cm2. The data in the range of 1 200- 700 cm＇ were selected to evaluate correlation coefficients, hierarchical cluster analy- sis （HCA） and principal component analysis （PCA）. Results showed that the correla- tion coefficients are larger than 0.928 not only between the healthy leaves, but also between the same diseased leaves. The values between healthy and diseased leaves, and among diseased leaves, are all declined. HCA and PCA yielded about 73.3% and 82.2% accuracy, respectively. [Conclusion] This study demonstrated that FTIR techniques might be used to detect crop diseases.展开更多
Fourier transform infrared （FTIR） spectroscopy was used to study diseased leaves in broad bean. Results showed that the infrared spectra of different broad bean diseased leaves were similar, which were mainly made u...Fourier transform infrared （FTIR） spectroscopy was used to study diseased leaves in broad bean. Results showed that the infrared spectra of different broad bean diseased leaves were similar, which were mainly made up of the vibrational absorption bands of protein,lipid and polysaccharide.There were minor differences in-cluding the spectral peak position, peak shape and the absorption intensity in the range of 1 800-1 300 cm-1. There were obvious differences among their second derivative spectra in the range of 1 800-1 300 cm-1. After the procedure of the Fourier self-deconvolution and curve fitting of health bean leaves and broad bean diseased leaves in the range of 1 700-1 500 cm-1, three sub-peaks were obtained at 1 550 cm-1 （protein amide Ⅱ band）, 1 605 cm-1 （lignin） and 1 650 cm-1 （protein amide I band）.The ratios of relative areas of the bands of amide Ⅱ, lignin, and amide I were 38.86%, 28.68% and 32.47% in the spectra of healthy leaves, respec-tively. It was distinguished from the diseased leaves （chocolate spot leaf： 15.42%, 42.98% and 41.61%, ring spot leaf：32.39%, 35.63% and 31.98%, rust leaf： 13.97%, 46.40% and 39.65%, yel owing leaf curl disease leaf： 24.01%,36.55% and 39.44%）. For sub-peak area ratios （A1 563/A1 605, A1 650/A1 605 and A1 563/A1 654）, those of four kinds of diseased leaves were smal er than that of healthy leaves, and there were also differences among four kinds of diseased leaves. The results proved that FTIR combining with curve fitting might be a potential y useful tool for detecting different kinds of broad bean diseases.展开更多
Three model polyurethane hard segments based on dimethylol butanoic acid (DMBA) and 1,6-hexane diisocyanate (HDI), toluene diisocyanate (TDI) and 4,4'-diphenylmethane diisocyanate (MDI) were prepared by the soluti...Three model polyurethane hard segments based on dimethylol butanoic acid (DMBA) and 1,6-hexane diisocyanate (HDI), toluene diisocyanate (TDI) and 4,4'-diphenylmethane diisocyanate (MDI) were prepared by the solution method. Fourier Infrared (FTIR) spectroscopy was employed to study the H-bonds in these model polyurethanes. The model polyurethane hard segment prepared from HDI and 1,4-butanodiol (BDO) was used for comparison. It was found that the incorporation of the pendent carboxyl through DMBA into the model hard segments weakens the original NH…O = C H-bond but gives more H-bond patterns based on the two H-bond donors, urethane NH and carboxylic OH. The carboxylic dimer is one of the main H-bond types and is stronger than another main H-bond type NH…O=C. In addition, the H-bond in aromatic model hard segments is stronger than that of aliphatic hard segments. The appearance of the free C=O and the fact that almost all N—H is H-bonded suggest that there possibly exist either the third H-bond acceptor or the H-bond formed by one acceptor with two donors.展开更多
A V-shaped spacroscopic cell（V-cell） was constructed using two CaF2 optical plates for FTIR light transparent measurements in the range of 4000-1000 cm^（-1）.The spectrum of ethanol was characterized with the stand...A V-shaped spacroscopic cell（V-cell） was constructed using two CaF2 optical plates for FTIR light transparent measurements in the range of 4000-1000 cm^（-1）.The spectrum of ethanol was characterized with the standard spectra,excellent fitting was achieved with a bottom-width correction method.The principle of the V-cell was discussed,giving equations for the data interpretation.It shows that the V-cell is an auto-focus type spectroscopic cell,which can effectively avoid absorption saturation with amplifications for weak absorption bands.The V-cell design is simple and effective,easy to operate,suitable for applications in liquid samples with high absorption bands,willing to have broad application prospects.展开更多
The crystallization of uniaxial hot drawn syndiotactic polystyrene/multi-walled carbon nanotube （sPS/MWCNT） nanocomposite films was studied by FTIR spectroscopy. The effects of MWCNT content, draw ratio and drawing ...The crystallization of uniaxial hot drawn syndiotactic polystyrene/multi-walled carbon nanotube （sPS/MWCNT） nanocomposite films was studied by FTIR spectroscopy. The effects of MWCNT content, draw ratio and drawing temperature on the sPS crystallinity were investigated. The sPS/MWCMT nanocomposite films show reduced crystallinities with the increase of MWCNT content. In addition, with the increase of draw ratio, both the pure sPS and the sPS/MWCNT nanocomposite drawn films exhibit increased crystallinity. The effect of drawing temperature on the sPS crystallization is complex. In a temperature range of 100―135 °C, the crystallinity decreases with drawing temperature, whereas it increases at 140 °C for both pure sPS and its nanocomposite films.展开更多
Infrared reflection-absorption spectra for primary, secondary and tertiary orthophosphate anions on a gold electrode in aqueous solution were studied by in situ FTIR spectroscopy. The spectra show that H2PO4- , HPO io...Infrared reflection-absorption spectra for primary, secondary and tertiary orthophosphate anions on a gold electrode in aqueous solution were studied by in situ FTIR spectroscopy. The spectra show that H2PO4- , HPO ions do not interact with the electrode surface as strong as PO do. According to the surface selection rule, we deduce the modes of adsorption of these anions on the electrode from these spectra. The experiment also confirms the affection to adsorption of ion on the electrode due to ion-migration into thin-layer cavity.展开更多
Photodegradation is considered as a universal contributing factor to litter decomposition and carbon(C)cycling within the Earth’s biomes.Identifying how solar radiation modifies the molecular structure of litter is e...Photodegradation is considered as a universal contributing factor to litter decomposition and carbon(C)cycling within the Earth’s biomes.Identifying how solar radiation modifies the molecular structure of litter is essen-tial to understand the mechanism controlling its decom-position and reaction to shifts in climatic conditions and land-use.In this study,we performed a spectral-attenuation experiment following litter decomposition in an understory and gap of a temperate deciduous forest.We found that short-wavelength visible light,especially blue light,was the main factor driving variation in litter molecular struc-ture of Fagus crenata Blume,Quercus crispula Blume,Acer carpinifolium Siebold&Zuccarini and Betula platyphylla Sukaczev,explaining respectively 56.5%,19.4%,66.3%,and 16.7%of variation in its chemical composition.However,the variation also depended on canopy openness:Only in the forest gap was lignin aromatic C negatively associated with C-oxygen(C–O)bonding in polysaccharides receiv-ing treatments containing blue light of the full spectrum of solar radiation.Regardless of species,the decomposition index of litter that explained changes in mass and lignin loss was driven by the relative content of C–O stretching in poly-saccharides and lignin aromatic C.The results suggest that the availability of readily degradable polysaccharides pro-duced by the reduction in lignin aromatic C most plausibly explains the rate of litter photodegradation.Photo-products of photodegradation might augment the C pool destabilized by the input of readily degradable organic compounds(i.e.,polysaccharides).展开更多
The level of chemical oxygen demand(COD)is an important index to evaluate whether sewage meets the discharge requirements,so corresponding tests should be carried out before discharge.Fourier transform infrared spectr...The level of chemical oxygen demand(COD)is an important index to evaluate whether sewage meets the discharge requirements,so corresponding tests should be carried out before discharge.Fourier transform infrared spectroscopy(FTIR)and attenuated total reflectance(ATR)can detect COD in sewage effectively,which has advantages over conventional chemical analysis methods.And the selection of characteristic bands was one of the key links in the application of FTIR/ATR spectroscopy.In this work,based on the moving window partial least-squares(MWPLS)regression to select a characteristic wavelength,a method of equivalent wavelength selection was proposed combining with paired t-test equivalent concept.The results showed that the prediction effect of the selected wavelength was very close to that of the MWPLS method,while the number of wavelength points was much smaller.SEPAve,RP,Ave,SEPStd,and RP,Std which characterized the modeling effect were 26.3 mg L^-1,0.969,3.49 mg L^-1,and 0.006,respectively.The validation effect V-SEP and V-RP were 28.64 mg L^-1 and 0.960,respectively.The selected waveband was between 1809 cm^-1 and 1568 cm^-1.The method was of more reference value for the design of FTIR/ATR spectral instrument for COD detection.展开更多
Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investig...Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investigation aimed to create a simple but sophisticated method for the identification of plant-pathogenic fungi by Fourier transform infrared(FTIR)spectroscopy.In this study,FTIR-attenuated total reflectance(ATR)spectroscopy was used in combination with chemometric analysis for identification of important pathogenic fungi of horticultural plants.Mixtures of mycelia and spores from 27fungal strains belonging to nine different families were collected from liquid PD or solid PDA media cultures and subjected to FTIR-ATR spectroscopy measurements.The FTIR-ATR spectra ranging from 4 000to 400cm-1 were obtained.To classify the FTIRATR spectra,cluster analysis was compared with canonical vitiate analysis(CVA)in the spectral regions of3 050~2 800and 1 800~900cm-1.Results showed that the identification accuracies achieved 97.53%and99.18%for the cluster analysis and CVA analysis,respectively,demonstrating the high potential of this technique for fungal strain identification.展开更多
An insight into the interaction of collagen type I with apatite in bone tissue was performed by using differential scanning calorimetry, Fourier transform infrared spectroscopy, and molecular modeling. Scanning electr...An insight into the interaction of collagen type I with apatite in bone tissue was performed by using differential scanning calorimetry, Fourier transform infrared spectroscopy, and molecular modeling. Scanning electron microscopy shows that bone organic content incinerate gradually through the different temperatures studied. We suggest that the amide regions of the type I collagen molecule (mainly C=O groups of the peptide bonds) will be important in the control of the interactions with the apatite from bone. The amide I infrared bands of the collagen type I change when interacting to apatite, what might confirm our assumption. Bone tissue results in a loss of thermal stability compared to the collagen studied apart, as a consequence of the degradation and further combustion of the collagen in contact with the apatite microcrystals in bone. The thermal behavior of bone is very distinctive. Its main typical combustion temperature is at 360°C with a shoulder at 550°C compared to the thermal behavior of collagen, with the mean combustion peak at ca. 500°C. Our studies with molecular mechanics (MM+ force field) showed different interaction energies of the collagen-like molecule and different models of the apatite crystal planes. We used models of the apatite (100) and (001) planes;additional two planes (001) were explored with phosphate-rich and calcium-rich faces;an energetic preference was found in the latter case. We preliminary conclude that the peptide bond of collagen type I is modified when the molecule interacts with the apatite, producing a decrease in the main peak from ca. 500°C in collagen, up to 350°C in bone. The combustion might be related to collagen type I, as the ΔH energies present only small variations between mineralized and non-mineralized samples. The data obtained here give a molecular perspective into the structural properties of bone and the change in collagen properties caused by the interaction with the apatite. Our study can be useful to understand the biological synthesis of minerals as well as the organic-inorganic interaction and the synthesis of apatite implant materials.展开更多
As one of the most toxic heavy metals with persistence, bioaccumulation, and toxicity in environment, mercury and its envi- ronmental problems have caused a global concern. To fully understand the behavior and fate of...As one of the most toxic heavy metals with persistence, bioaccumulation, and toxicity in environment, mercury and its envi- ronmental problems have caused a global concern. To fully understand the behavior and fate of mercury （Hg）（II） in forest soils, a series of batch experiments were conducted to determine the adsorption and desorption characteristics of Hg（II） by three dark brown forest soils from Mount Taishan, Laoshan Mountain, and Fanggan Village in Shandong Province, China. The adsorption solution was prepared using 0.1 mol L-1 NaNO3 as background electrolyte, with Hg（II） at rising concentration gradients of 0.0, 2.0, 4.0, 6.0, 8.0, and 10.0 mg L-1. Fourier transform infrared （FTIR） spectroscopy was adopted to characterize the soil samples and soil-Hg complexes. It was found that Hg（II） adsorption isotherms could be well fitted with both Langmuir and Freundlich equations. The soil from Mount Taishan had the largest potential Hg（II） adsorption capacity, though with less adsorptive intensity. The percentages of Hg（II） desorbed from all soil samples were less than 0.6~, which suggested that all the soils studied had a high binding strength for Hg（II）. The soil from Mount Taishan had a higher Hg（II） desorption capacity than the other soils, which indicated that the Hg（II） deposited on the topsoil of Mount Taishan from atmosphere may easily discharge to surface water through runoff. Results of the FTIR spectroscopy showed that the three soils contained the same functional groups. The relative absorbencies of soil-Hg complexes changed significantly compared with those of the soil samples and the adsorption of Hg（II） mainly acted on the O-H, C-O, and C=O groups of the soils.展开更多
The interaction by hydrogen bond formation of some primary alcohols （ l-heptanol, l-octanol and l-decanol） with esters （methyl methacrylate, ethyl methacrylate and butyl methacrylate） was investigated in non-polar...The interaction by hydrogen bond formation of some primary alcohols （ l-heptanol, l-octanol and l-decanol） with esters （methyl methacrylate, ethyl methacrylate and butyl methacrylate） was investigated in non-polar solvents viz., n-heptane, CC14 and benzene by means of FTIR spectroscopy. Formation constants and free energy changes of complex formation were determined. The dependence of the equilibrium constants and free energy changes of complex formation on the alkyl chain length of both the alcohols and esters are discussed. The solvent interaction between the solute and solvent. effect on the hydrogen bond formation is discussed in terms of specific展开更多
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 I...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.展开更多
The monomolecular particle agglomerates of polystyrenes were obtained by freeze-drying of its very dilute solutions of 1.3 x 10(-5)-2.0 x 10(-5) g/mL in benzene:cylcohexane (100:1) solvents, and they were annealed at ...The monomolecular particle agglomerates of polystyrenes were obtained by freeze-drying of its very dilute solutions of 1.3 x 10(-5)-2.0 x 10(-5) g/mL in benzene:cylcohexane (100:1) solvents, and they were annealed at room temperature for hundred days before use. According to C-13-NMR measurement the polystyrenes should be practically atactic. The number average molecular weights of the samples are 2.80 x 10(3), 2.00 x 10(4), and 1.55 x 10(6), respectively. The freeze-dried aPS with a molecular weight higher than 10(4) show two new IR absorption bands at 1098 and 1261 cm(-1), which are absent in the normal aPS and freeze-dried styrene oligomer. It was also found that the low molecular weight samples can only form powders, whereas the freeze-dried aPS with higher molecular weight form a mixture of powders and fibrils, of which the longer fibrils show a much stronger 1261 cm(-1) band than the shorter fibrils and the powder. It seems that the 1261 cm(-1) band corresponds to the stacking behavior of monomolecular particles.展开更多
The Eu^3＋ complexes with S（＋）-mandelic acid were synthesized in the form of powders by mixing aqueous solutions of EuCl3, S（＋）-mandelic acid and NaOH in different molar ratios. The powders were characterized by...The Eu^3＋ complexes with S（＋）-mandelic acid were synthesized in the form of powders by mixing aqueous solutions of EuCl3, S（＋）-mandelic acid and NaOH in different molar ratios. The powders were characterized by elemental analysis, X-ray powder diffraction （XRPD.） method, Fourier transform infrared （FTIR） and Raman spectroscopy, UV-vis reflectance and luminescence spectra as well as luminescence lifetime measurements. It was found that all studied powders of Eu^3＋ complexes with S（＋）-mandelic acid were isostructural and crystalline and formed compounds with the formula Eu（Man）3（H2O）2.展开更多
基金supported by the National Natural Science Foundation of China(41872174 and 42072189)the Program for Innovative Research Team(in Science and Technology)in the Universities of Henan Province,China(21IRTSTHN007)the Program for Innovative Research Team(in Science and Technology)of Henan Polytechnic University(T2020-4)。
文摘Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existence of aromatic structure,heteroatom structure and fat structure in coal.MS(materials studio)software was used to optimize and construct a 3D molecular structure model of coal.A method for establishing a coal molecular structure model was formed,which was“determination of key structures in coal,construction of planar molecular structure model,and optimization of three-dimensional molecular structure model”.The structural differences were compared and analyzed.The results show that with the increase of coal rank,the dehydrogenation of cycloalkanes in coal is continuously enhanced,and the content of heteroatoms in the aromatic ring decreases.The heteroatoms and branch chains in the coal are reduced,and the structure is more orderly and tight.The stability of the structure is determined by theπ-πinteraction between the aromatic rings in the nonbonding energy EN.Key Stretching Energy The size of EB determines how tight the structure is.The research results provide a method and reference for the study of the molecular structure of medium and high coal ranks.
基金the National Natural Science Foundation of China (20471008)Basic Research Foundation of Beijing Institute of Technology (BIT-UBF-200502B4221)
文摘Flash pyrolysis of MnTC（ [Mn2（TNR）2（CHZ）2（H2O）4]·2H2O） and NiCT（ [Ni（CHZ）3]（TNR）·5H2O） is conducted by using T-jump/FTIR spectroscopy under 0.1 MPa Ar atmosphere. The mole fractions of the individual products in the pyrolysis gas mixture are described as a function of time. Results show that NiCT appears to produce more N2O, NH3 and HONO upon flash pyrolysis, thus secondary oxidation reduction reactions may take place to a certain extent during its thermal decomposition, which in turn leads to unsteady combustion and possibly to failure of the device. While H2O and CO2 are the major two gas products of flash pyrolysis of MnTC, it warrants further in-depth trials for the adoption in detonators as coo-friendly and chemically compatible primary explosive. The two compounds both liberate volatile metal carbonate, oxide and isocyanate compounds.
文摘Abstract:In the present work,studies the effect uv-radiation dose(5 J/cm2 to 360 J/cm2)with power 15 W to LR-115 track detector thickness 100μm.Absorbance-A was measured at wavelength 600 nm and 650 nm by usinguv-visible spectroscopy and measure the transmission percent--T%and deviation at the wavenumber-w2907 cm1 by using Fourier infrared--FTIR spectroscopy.The relationship between the dose of radiation to the uv-radiation(J/cm2)and the absorbance-A at wavelength 600 nm and 650 nm and the wavenumber-w 2907 cm-1 was calculate as a polynomial relation.The present study show that there is a possibility to use the detector LR-115 to assessment doses of exposure to uv-radiation in the medical and environmental fields.
基金supported by the National Natural Science Foundation of China(Grant Nos.52278334,42272322,and 52209136).
文摘Interactions between cement clinkers and clay minerals are crucial to the much lower strength of cement-based stabilized clays than concrete or mortar.In this paper,the kaolinite-based and montmorillonite-based clays were respectively stabilized by tricalcium silicate(C3S)and tricalcium aluminate(C3A),and measured by the unconfined compressive strength(UCS),29Si/27Al solid state nuclear magnetic resonance(SS-NMR),Fourier transform infrared spectroscopy(FTIR),and transmission electron microscope(TEM)to probe the clinker-clay mineral interaction from macro-mechanical,mineralogical,and microstructural perspectives.The results show that C3A-stabilized samples gain strength rapidly in the first 3 d but are only 20%e60%of the strength of C3S-stabilized ones after 60 d.Microstructures reveal that montmorillonite shows better pozzolanic reactivity due to its superior Sichain and lattice substitution compared to kaolinite.This interaction domains the engineering performance of stabilized clays,benefiting the design of stabilizer referring to as the industrial by-products and clay minerals.
基金Supported by National Natural Science Foundation of China(30960179)Natural Science Foundation of Yunnan Province(2007A048M)~~
文摘[Objective] The aim was to indentify diseased leaves of broad bean by vibra- tional spectroscopy. [Method] In this paper, broad bean rust, fusarium rhizome rot, broad bean zonate spot, yellow leaf curl virus and normal leaves were studied using Fourier transform infrared spectroscopy combined with chemometrics. [Result] The spectra of the samples were similar, only with minor differences in absorption inten- sity of several peaks. Second derivative analyses show that the significant difference of all samples was in the range of 1 200-700 cm2. The data in the range of 1 200- 700 cm＇ were selected to evaluate correlation coefficients, hierarchical cluster analy- sis （HCA） and principal component analysis （PCA）. Results showed that the correla- tion coefficients are larger than 0.928 not only between the healthy leaves, but also between the same diseased leaves. The values between healthy and diseased leaves, and among diseased leaves, are all declined. HCA and PCA yielded about 73.3% and 82.2% accuracy, respectively. [Conclusion] This study demonstrated that FTIR techniques might be used to detect crop diseases.
基金Supported by National Natural Science Foundation of China(30960179)Program for Innovative Research Team in Science and Technology in University of Yunnan Province~~
文摘Fourier transform infrared （FTIR） spectroscopy was used to study diseased leaves in broad bean. Results showed that the infrared spectra of different broad bean diseased leaves were similar, which were mainly made up of the vibrational absorption bands of protein,lipid and polysaccharide.There were minor differences in-cluding the spectral peak position, peak shape and the absorption intensity in the range of 1 800-1 300 cm-1. There were obvious differences among their second derivative spectra in the range of 1 800-1 300 cm-1. After the procedure of the Fourier self-deconvolution and curve fitting of health bean leaves and broad bean diseased leaves in the range of 1 700-1 500 cm-1, three sub-peaks were obtained at 1 550 cm-1 （protein amide Ⅱ band）, 1 605 cm-1 （lignin） and 1 650 cm-1 （protein amide I band）.The ratios of relative areas of the bands of amide Ⅱ, lignin, and amide I were 38.86%, 28.68% and 32.47% in the spectra of healthy leaves, respec-tively. It was distinguished from the diseased leaves （chocolate spot leaf： 15.42%, 42.98% and 41.61%, ring spot leaf：32.39%, 35.63% and 31.98%, rust leaf： 13.97%, 46.40% and 39.65%, yel owing leaf curl disease leaf： 24.01%,36.55% and 39.44%）. For sub-peak area ratios （A1 563/A1 605, A1 650/A1 605 and A1 563/A1 654）, those of four kinds of diseased leaves were smal er than that of healthy leaves, and there were also differences among four kinds of diseased leaves. The results proved that FTIR combining with curve fitting might be a potential y useful tool for detecting different kinds of broad bean diseases.
基金This work was supported by the Natural Science Foundation of Henan Province (004030600)
文摘Three model polyurethane hard segments based on dimethylol butanoic acid (DMBA) and 1,6-hexane diisocyanate (HDI), toluene diisocyanate (TDI) and 4,4'-diphenylmethane diisocyanate (MDI) were prepared by the solution method. Fourier Infrared (FTIR) spectroscopy was employed to study the H-bonds in these model polyurethanes. The model polyurethane hard segment prepared from HDI and 1,4-butanodiol (BDO) was used for comparison. It was found that the incorporation of the pendent carboxyl through DMBA into the model hard segments weakens the original NH…O = C H-bond but gives more H-bond patterns based on the two H-bond donors, urethane NH and carboxylic OH. The carboxylic dimer is one of the main H-bond types and is stronger than another main H-bond type NH…O=C. In addition, the H-bond in aromatic model hard segments is stronger than that of aliphatic hard segments. The appearance of the free C=O and the fact that almost all N—H is H-bonded suggest that there possibly exist either the third H-bond acceptor or the H-bond formed by one acceptor with two donors.
文摘A V-shaped spacroscopic cell（V-cell） was constructed using two CaF2 optical plates for FTIR light transparent measurements in the range of 4000-1000 cm^（-1）.The spectrum of ethanol was characterized with the standard spectra,excellent fitting was achieved with a bottom-width correction method.The principle of the V-cell was discussed,giving equations for the data interpretation.It shows that the V-cell is an auto-focus type spectroscopic cell,which can effectively avoid absorption saturation with amplifications for weak absorption bands.The V-cell design is simple and effective,easy to operate,suitable for applications in liquid samples with high absorption bands,willing to have broad application prospects.
基金Supported by the National Natural Science Foundation of China(No.50873103)the K. C. Wong Education Foundation of Hong Kong, China
文摘The crystallization of uniaxial hot drawn syndiotactic polystyrene/multi-walled carbon nanotube （sPS/MWCNT） nanocomposite films was studied by FTIR spectroscopy. The effects of MWCNT content, draw ratio and drawing temperature on the sPS crystallinity were investigated. The sPS/MWCMT nanocomposite films show reduced crystallinities with the increase of MWCNT content. In addition, with the increase of draw ratio, both the pure sPS and the sPS/MWCNT nanocomposite drawn films exhibit increased crystallinity. The effect of drawing temperature on the sPS crystallization is complex. In a temperature range of 100―135 °C, the crystallinity decreases with drawing temperature, whereas it increases at 140 °C for both pure sPS and its nanocomposite films.
文摘Infrared reflection-absorption spectra for primary, secondary and tertiary orthophosphate anions on a gold electrode in aqueous solution were studied by in situ FTIR spectroscopy. The spectra show that H2PO4- , HPO ions do not interact with the electrode surface as strong as PO do. According to the surface selection rule, we deduce the modes of adsorption of these anions on the electrode from these spectra. The experiment also confirms the affection to adsorption of ion on the electrode due to ion-migration into thin-layer cavity.
基金supported by the National Natural Science Foundation of China (32122059)the National Key R&D Program of China(2021YFD2200402)+5 种基金the Chinese Academy of Sciences Young Talents Programthe LiaoNing Revitalization Talents Program (XLYC2007016) to QWW2024 Joint Fund Project Funding Program (2023-MSBA-137) to JJDChinese Academy of Sciences President's International Fellowship Initiative (2022VCA0010)the Japan Society for the Promotion of Science (KAKENHI,17F17403) to QWW and HKAcademy of Finland Project(324555) to TMR
文摘Photodegradation is considered as a universal contributing factor to litter decomposition and carbon(C)cycling within the Earth’s biomes.Identifying how solar radiation modifies the molecular structure of litter is essen-tial to understand the mechanism controlling its decom-position and reaction to shifts in climatic conditions and land-use.In this study,we performed a spectral-attenuation experiment following litter decomposition in an understory and gap of a temperate deciduous forest.We found that short-wavelength visible light,especially blue light,was the main factor driving variation in litter molecular struc-ture of Fagus crenata Blume,Quercus crispula Blume,Acer carpinifolium Siebold&Zuccarini and Betula platyphylla Sukaczev,explaining respectively 56.5%,19.4%,66.3%,and 16.7%of variation in its chemical composition.However,the variation also depended on canopy openness:Only in the forest gap was lignin aromatic C negatively associated with C-oxygen(C–O)bonding in polysaccharides receiv-ing treatments containing blue light of the full spectrum of solar radiation.Regardless of species,the decomposition index of litter that explained changes in mass and lignin loss was driven by the relative content of C–O stretching in poly-saccharides and lignin aromatic C.The results suggest that the availability of readily degradable polysaccharides pro-duced by the reduction in lignin aromatic C most plausibly explains the rate of litter photodegradation.Photo-products of photodegradation might augment the C pool destabilized by the input of readily degradable organic compounds(i.e.,polysaccharides).
基金This work was financially supported by the Natural Science Foundation of Hainan Province(417087)the Key Research and Development Program of Hainan Province(ZDYF2018007)Research Fund for Advanced Talents of Hainan University(No.kyqd1577).
文摘The level of chemical oxygen demand(COD)is an important index to evaluate whether sewage meets the discharge requirements,so corresponding tests should be carried out before discharge.Fourier transform infrared spectroscopy(FTIR)and attenuated total reflectance(ATR)can detect COD in sewage effectively,which has advantages over conventional chemical analysis methods.And the selection of characteristic bands was one of the key links in the application of FTIR/ATR spectroscopy.In this work,based on the moving window partial least-squares(MWPLS)regression to select a characteristic wavelength,a method of equivalent wavelength selection was proposed combining with paired t-test equivalent concept.The results showed that the prediction effect of the selected wavelength was very close to that of the MWPLS method,while the number of wavelength points was much smaller.SEPAve,RP,Ave,SEPStd,and RP,Std which characterized the modeling effect were 26.3 mg L^-1,0.969,3.49 mg L^-1,and 0.006,respectively.The validation effect V-SEP and V-RP were 28.64 mg L^-1 and 0.960,respectively.The selected waveband was between 1809 cm^-1 and 1568 cm^-1.The method was of more reference value for the design of FTIR/ATR spectral instrument for COD detection.
基金the National Natural Science Foundation of China(31201473)the Science and Technology Innovation Program of the Chinese Academy of Agricultural Sciences(CAAS-ASTIP-IVFCAAS)funded by the Key Laboratory of Biology and Genetic Improvement of Horticultural Crops,Ministry of Agriculture,P.R.China
文摘Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investigation aimed to create a simple but sophisticated method for the identification of plant-pathogenic fungi by Fourier transform infrared(FTIR)spectroscopy.In this study,FTIR-attenuated total reflectance(ATR)spectroscopy was used in combination with chemometric analysis for identification of important pathogenic fungi of horticultural plants.Mixtures of mycelia and spores from 27fungal strains belonging to nine different families were collected from liquid PD or solid PDA media cultures and subjected to FTIR-ATR spectroscopy measurements.The FTIR-ATR spectra ranging from 4 000to 400cm-1 were obtained.To classify the FTIRATR spectra,cluster analysis was compared with canonical vitiate analysis(CVA)in the spectral regions of3 050~2 800and 1 800~900cm-1.Results showed that the identification accuracies achieved 97.53%and99.18%for the cluster analysis and CVA analysis,respectively,demonstrating the high potential of this technique for fungal strain identification.
基金the National Autonomous University of Mexico for financial support(grant DGAPA-IN100303)A.H.thanks the National Council of Science and Technology of Mexico(CONACyT)and DAAD for scholarships
文摘An insight into the interaction of collagen type I with apatite in bone tissue was performed by using differential scanning calorimetry, Fourier transform infrared spectroscopy, and molecular modeling. Scanning electron microscopy shows that bone organic content incinerate gradually through the different temperatures studied. We suggest that the amide regions of the type I collagen molecule (mainly C=O groups of the peptide bonds) will be important in the control of the interactions with the apatite from bone. The amide I infrared bands of the collagen type I change when interacting to apatite, what might confirm our assumption. Bone tissue results in a loss of thermal stability compared to the collagen studied apart, as a consequence of the degradation and further combustion of the collagen in contact with the apatite microcrystals in bone. The thermal behavior of bone is very distinctive. Its main typical combustion temperature is at 360°C with a shoulder at 550°C compared to the thermal behavior of collagen, with the mean combustion peak at ca. 500°C. Our studies with molecular mechanics (MM+ force field) showed different interaction energies of the collagen-like molecule and different models of the apatite crystal planes. We used models of the apatite (100) and (001) planes;additional two planes (001) were explored with phosphate-rich and calcium-rich faces;an energetic preference was found in the latter case. We preliminary conclude that the peptide bond of collagen type I is modified when the molecule interacts with the apatite, producing a decrease in the main peak from ca. 500°C in collagen, up to 350°C in bone. The combustion might be related to collagen type I, as the ΔH energies present only small variations between mineralized and non-mineralized samples. The data obtained here give a molecular perspective into the structural properties of bone and the change in collagen properties caused by the interaction with the apatite. Our study can be useful to understand the biological synthesis of minerals as well as the organic-inorganic interaction and the synthesis of apatite implant materials.
基金Supported by the National Natural Science Foundation of China(Nos.30970166 and 40801088)the Science and Technology Program for Environmental Protection of Shandong Province,China(No.2006007)the Research Award Fund for Outstanding Young Scientists of Shandong Province,China(No.2007BS08001)
文摘As one of the most toxic heavy metals with persistence, bioaccumulation, and toxicity in environment, mercury and its envi- ronmental problems have caused a global concern. To fully understand the behavior and fate of mercury （Hg）（II） in forest soils, a series of batch experiments were conducted to determine the adsorption and desorption characteristics of Hg（II） by three dark brown forest soils from Mount Taishan, Laoshan Mountain, and Fanggan Village in Shandong Province, China. The adsorption solution was prepared using 0.1 mol L-1 NaNO3 as background electrolyte, with Hg（II） at rising concentration gradients of 0.0, 2.0, 4.0, 6.0, 8.0, and 10.0 mg L-1. Fourier transform infrared （FTIR） spectroscopy was adopted to characterize the soil samples and soil-Hg complexes. It was found that Hg（II） adsorption isotherms could be well fitted with both Langmuir and Freundlich equations. The soil from Mount Taishan had the largest potential Hg（II） adsorption capacity, though with less adsorptive intensity. The percentages of Hg（II） desorbed from all soil samples were less than 0.6~, which suggested that all the soils studied had a high binding strength for Hg（II）. The soil from Mount Taishan had a higher Hg（II） desorption capacity than the other soils, which indicated that the Hg（II） deposited on the topsoil of Mount Taishan from atmosphere may easily discharge to surface water through runoff. Results of the FTIR spectroscopy showed that the three soils contained the same functional groups. The relative absorbencies of soil-Hg complexes changed significantly compared with those of the soil samples and the adsorption of Hg（II） mainly acted on the O-H, C-O, and C=O groups of the soils.
文摘The interaction by hydrogen bond formation of some primary alcohols （ l-heptanol, l-octanol and l-decanol） with esters （methyl methacrylate, ethyl methacrylate and butyl methacrylate） was investigated in non-polar solvents viz., n-heptane, CC14 and benzene by means of FTIR spectroscopy. Formation constants and free energy changes of complex formation were determined. The dependence of the equilibrium constants and free energy changes of complex formation on the alkyl chain length of both the alcohols and esters are discussed. The solvent interaction between the solute and solvent. effect on the hydrogen bond formation is discussed in terms of specific
基金worked in funding projects from DST,New Delhi for extensive research in the area of nano-bio molecular spectroscopy and sensor technology development
文摘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.
文摘The monomolecular particle agglomerates of polystyrenes were obtained by freeze-drying of its very dilute solutions of 1.3 x 10(-5)-2.0 x 10(-5) g/mL in benzene:cylcohexane (100:1) solvents, and they were annealed at room temperature for hundred days before use. According to C-13-NMR measurement the polystyrenes should be practically atactic. The number average molecular weights of the samples are 2.80 x 10(3), 2.00 x 10(4), and 1.55 x 10(6), respectively. The freeze-dried aPS with a molecular weight higher than 10(4) show two new IR absorption bands at 1098 and 1261 cm(-1), which are absent in the normal aPS and freeze-dried styrene oligomer. It was also found that the low molecular weight samples can only form powders, whereas the freeze-dried aPS with higher molecular weight form a mixture of powders and fibrils, of which the longer fibrils show a much stronger 1261 cm(-1) band than the shorter fibrils and the powder. It seems that the 1261 cm(-1) band corresponds to the stacking behavior of monomolecular particles.
文摘The Eu^3＋ complexes with S（＋）-mandelic acid were synthesized in the form of powders by mixing aqueous solutions of EuCl3, S（＋）-mandelic acid and NaOH in different molar ratios. The powders were characterized by elemental analysis, X-ray powder diffraction （XRPD.） method, Fourier transform infrared （FTIR） and Raman spectroscopy, UV-vis reflectance and luminescence spectra as well as luminescence lifetime measurements. It was found that all studied powders of Eu^3＋ complexes with S（＋）-mandelic acid were isostructural and crystalline and formed compounds with the formula Eu（Man）3（H2O）2.
