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International Journal of Spectroscopy最新文献

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Analysis of Selected Properties of Fibreboard Panels Manufactured from Wood and Leather Using the Near Infrared Spectroscopy 用近红外光谱分析木材和皮革制成的纤维板的选定性能
International Journal of Spectroscopy Pub Date : 2015-12-31 DOI: 10.1155/2015/691796
K. Wagner, T. Schnabel, M. Barbu, A. Petutschnigg
{"title":"Analysis of Selected Properties of Fibreboard Panels Manufactured from Wood and Leather Using the Near Infrared Spectroscopy","authors":"K. Wagner, T. Schnabel, M. Barbu, A. Petutschnigg","doi":"10.1155/2015/691796","DOIUrl":"https://doi.org/10.1155/2015/691796","url":null,"abstract":"This paper deals with the characterization of the properties of wood fibres leather shavings composite board by using the near infrared spectroscopy (NIRS) and multivariate data analysis. In this study fibreboards were manufactured with different leather amounts by using spruce fibres, as well as vegetable and mineral tanned leather shavings (wet white and wet blue). The NIR spectroscopy was used to analyse the raw materials as well as the wood leather fibreboards. Moreover, the physical and mechanical features of the wood leather composite fibreboards were determined to characterize their properties for the further data analysis. The NIR spectra were analysed by univariate and multivariate methods using the Principal Component Analysis (PCA) and the Partial Least Squares Regression (PLSR) method. These results demonstrate the potential of FT-NIR spectroscopy to estimate the physical and mechanical properties (e.g., bending strength). This phenomenon provides a possibility for quality assurance systems by using the NIRS.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"1 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2015-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91057027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Stereochemical Investigations of Diastereomeric N-[2-(Aryl)-5-methyl-4-oxo-1,3-thiazolidine-3-yl]-pyridine-3-carboxamides by Nuclear Magnetic Resonance Spectroscopy (1D and 2D) 非对映体N-[2-(芳基)-5-甲基-4-氧-1,3-噻唑烷-3-基]-吡啶-3-羧酰胺的核磁共振波谱立体化学研究(1D和2D)
International Journal of Spectroscopy Pub Date : 2015-12-31 DOI: 10.1155/2015/609250
Öznur Demir-Ordu, Hale Demir-Dündar, S. Özkırımlı
{"title":"Stereochemical Investigations of Diastereomeric N-[2-(Aryl)-5-methyl-4-oxo-1,3-thiazolidine-3-yl]-pyridine-3-carboxamides by Nuclear Magnetic Resonance Spectroscopy (1D and 2D)","authors":"Öznur Demir-Ordu, Hale Demir-Dündar, S. Özkırımlı","doi":"10.1155/2015/609250","DOIUrl":"https://doi.org/10.1155/2015/609250","url":null,"abstract":"Some new N-[2-(aryl)-5-methyl-4-oxo-1,3-thiazolidine-3-yl]-pyridine-3-carboxamides were synthesized and their structures were investigated by IR, NMR (1H, 13C, and 2D), and mass spectra. The presence of C-2 and C-5 stereogenic centers on the thiazolidinone ring resulted in diastereoisomeric pairs. The configurations of two stereogenic centers were assigned based upon 1H NMR analysis of coupling constants and 2D nuclear overhauser enhancement spectroscopy (NOESY) experiment. Resolution of the diastereoisomers was performed by high performance liquid chromatography (HPLC) using a chiral stationary phase.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"43 1","pages":"1-9"},"PeriodicalIF":0.0,"publicationDate":"2015-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86058248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Using the Intramolecular Contribution to the Second Moment of NMR Line Shape to Detect Site Symmetry Breakdown in Molecular Crystals 利用分子内对核磁共振线形第二矩的贡献来检测分子晶体中的位对称击穿
International Journal of Spectroscopy Pub Date : 2015-12-20 DOI: 10.1155/2015/701386
F. Bashirov, N. Gaisin
{"title":"Using the Intramolecular Contribution to the Second Moment of NMR Line Shape to Detect Site Symmetry Breakdown in Molecular Crystals","authors":"F. Bashirov, N. Gaisin","doi":"10.1155/2015/701386","DOIUrl":"https://doi.org/10.1155/2015/701386","url":null,"abstract":"A new approach to simulating the intramolecular contribution to the anisotropic second moment of NMR spectral lines broadened by magnetic dipole-dipole interaction of nuclei is suggested. The extended angular jump model is used by approximating the local hindered molecular motion (HMM). The theoretical result allow describing the site symmetry distortion by new experimental parameters , the dynamic weights of irreducible representations of the HMM crystallographic point symmetry group. The application of the theory to describing the intraionic second moment of the proton NMR spectral line in monocrystalline ammonium chloride proves the tetragonal distorted tetrahedral site symmetry of ammonium ions.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"16 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2015-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77356404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Conformational Redistribution of Honey Components following Different Storage Conditions 不同贮存条件下蜂蜜成分的构象重分布
International Journal of Spectroscopy Pub Date : 2015-12-17 DOI: 10.1155/2015/354327
G. Cimò, P. Conte
{"title":"Conformational Redistribution of Honey Components following Different Storage Conditions","authors":"G. Cimò, P. Conte","doi":"10.1155/2015/354327","DOIUrl":"https://doi.org/10.1155/2015/354327","url":null,"abstract":"The present study aims at the investigation of the changes in water distribution among the organic components of selected honey samples following honey storage at different temperatures. Results, achieved by application of fast field cycling NMR relaxometry, revealed that the organic constituents were homogeneously distributed within the whole samples stored at room temperature. Conversely, after four months of refrigeration at 4°C, the organic systems were included in persistent clusters, as a consequence of the water release due to the larger stability of the intramolecular interactions over the intermolecular ones. The new conformational arrangements of the honey constituents entailed enhancement of honey moisture content. For this reason, it can be suggested that honey refrigeration prior to storage at room temperature may be detrimental for its long-term storage. In fact, higher risk of fermentation may occur once the sample is warmed after the first refrigeration step.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"114 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"2015-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76831155","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Behavior of Ethidium Bromide-Hoechst 33258-DNA and Ethidium Bromide-Methylene Blue-DNA Triple Systems by means of UV Melting 溴化乙啶-赫斯特33258-DNA和溴化乙啶-亚甲基蓝- dna三元体系的紫外熔融行为
International Journal of Spectroscopy Pub Date : 2015-12-01 DOI: 10.1155/2015/586231
P. O. Vardevanyan, A. Antonyan, M. Parsadanyan, M. Shahinyan, Gayane A. Melkonyan
{"title":"Behavior of Ethidium Bromide-Hoechst 33258-DNA and Ethidium Bromide-Methylene Blue-DNA Triple Systems by means of UV Melting","authors":"P. O. Vardevanyan, A. Antonyan, M. Parsadanyan, M. Shahinyan, Gayane A. Melkonyan","doi":"10.1155/2015/586231","DOIUrl":"https://doi.org/10.1155/2015/586231","url":null,"abstract":"The study of EtBr and H33258 interaction as well as EtBr and MB interaction with DNA has been carried out. It was revealed that, at joint interaction, the effect of two ligands on the change of melting thermodynamic parameters of EtBr-DNA-H33258 or EtBr-DNA-MB complexes is not an addition of separate interaction influences. It was shown that, at joint, binding of EtBr and MB with DNA competition occurs, while in the case of EtBr and H33258, the mutual strengthening of stabilizing effect of each of them on DNA double-stranded structure mainly takes place.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"25 1","pages":"1-5"},"PeriodicalIF":0.0,"publicationDate":"2015-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88344542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
EPR Spectroscopy of Different Sol Concentration Synthesized Nanocrystalline-ZnO Thin Films 不同溶胶浓度合成纳米晶zno薄膜的EPR光谱研究
International Journal of Spectroscopy Pub Date : 2015-11-22 DOI: 10.1155/2015/431678
M. Arora, R. Zargar, S. D. Khan
{"title":"EPR Spectroscopy of Different Sol Concentration Synthesized Nanocrystalline-ZnO Thin Films","authors":"M. Arora, R. Zargar, S. D. Khan","doi":"10.1155/2015/431678","DOIUrl":"https://doi.org/10.1155/2015/431678","url":null,"abstract":"Nanocrystalline zinc oxide (nc-ZnO) thin films were grown on p-type silicon substrate through spin coating by sol-gel process using different sol concentrations (10 wt.%, 15 wt.%, and 25 wt.%). These films were characterized by high resolution nondestructive X-ray diffraction (XRD), scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDS) attachment, and electron paramagnetic resonance (EPR) techniques to understand variations in structural, morphological, and oxygen vacancy with respect to sol concentration. The film surface morphology changes from nanowall to nanorods on increasing sol concentration. EPR spectra revealed the systematic variation from ferromagnetic to paramagnetic nature in these nc-ZnO films. The broad EPR resonance signal arising from the strong dipolar-dipolar interactions among impurity defects present in nc-ZnO film deposited from 10 wt.% sol has been observed and a single strong narrow resonance signal pertaining to oxygen vacancies is obtained in 25 wt.% sol derived nc-ZnO film. The concentrations of impurity defects and oxygen vacancies are evaluated from EPR spectra, necessary for efficient optoelectronic devices development.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"291 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"2015-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75198373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 18
Raman Spectroscopy and Statistical Analysis of the Silicate Species and Group Connectivity in Cesium Silicate Glass Forming System 硅酸盐玻璃形成体系中硅酸盐种类和基团连通性的拉曼光谱和统计分析
International Journal of Spectroscopy Pub Date : 2015-10-18 DOI: 10.1155/2015/572840
A. Osipov, L. Osipova, R. Zainullina
{"title":"Raman Spectroscopy and Statistical Analysis of the Silicate Species and Group Connectivity in Cesium Silicate Glass Forming System","authors":"A. Osipov, L. Osipova, R. Zainullina","doi":"10.1155/2015/572840","DOIUrl":"https://doi.org/10.1155/2015/572840","url":null,"abstract":"The Raman spectra of %Cs2O-(100 − x)%SiO2 (, 22, 27, 33, and 37 mol%) glasses and melts were measured in the temperature range of 293 to 1553 K. The concentrations of the species were calculated as a function of the composition and temperature based on the deconvolution analysis of the spectra. It was found that a dynamic equilibrium among structural units in the melts with mol% can be described by disproportionation reaction . The enthalpy of this reaction was found to be equal to 32 ± 6, 43 ± 8, 56 ± 10, and 52 ± 9 for , 27, 33, and 37 mol%, respectively. The nonideal entropy of mixing (Δ) depends on the melt temperature and increases almost linearly with increasing temperature. The , , and distributions with ranging from 0 to 55 mol% were modeled using experimental data for the concentrations of the units.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"54 1","pages":"1-15"},"PeriodicalIF":0.0,"publicationDate":"2015-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80645116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 17
Secondary Metabolites of the Cuticular Abdominal Glands of Variegated Grasshopper (Zonocerus variegatus L.) 斑蚱蜢表皮腹腺的次生代谢物
International Journal of Spectroscopy Pub Date : 2015-09-07 DOI: 10.1155/2015/901386
O. Igwe, D. Udofia
{"title":"Secondary Metabolites of the Cuticular Abdominal Glands of Variegated Grasshopper (Zonocerus variegatus L.)","authors":"O. Igwe, D. Udofia","doi":"10.1155/2015/901386","DOIUrl":"https://doi.org/10.1155/2015/901386","url":null,"abstract":"Chemical compounds were extracted with petroleum ether from the cuticular abdominal glands of grasshopper (Zonocerus variegatus L.) and eleven compounds were characterised using Gas Chromatography/Mass Spectrometry (GC/MS) technique in combination with Fourier Transform-Infrared Spectroscopy (FT-IR). The compounds analysed were 2,7-dimethyloctane (3.21%), decane (5.33%), undecane (3.81%), tridecanoic acid methyl ester (4.76%), hexadecanoic acid (9.37%), 11-octadecenoic acid methyl ester (23.18%), pentadecanoic acid, 14-methyl-methyl ester (4.43%), (Z)-13-docosenoic acid (10.71%), dodecyl pentafluoropropionate (9.52%), 2-dodecyl-1,3-propanediol (6.38%), and 1,12-tridecadiene (19.30%). FT-IR analysis of the extract showed peaks at 1270.17 (C–O and C–F), 1641.48 (C=C), 2937.68 (C–H), and 3430.51 (O–H) cm−1 indicating the presence of ether, alkene, alkane, alcohol, carboxylic acid, and fluoric compounds. These compounds consisted of 32.37% ester, 31.65% hydrocarbons, 20.08% fatty acid, 9.52% halogenated ester, and 6.38% alcohol. The highest component was 11-octadecenoic acid methyl ester followed by 1,12-tridecadiene. Since behavioural bioassays were not carried out, the consideration of these compounds to be pheromone semiochemicals remains a hypothesis.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"36 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2015-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86484252","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Application of ATR-FTIR Spectroscopy to Compare the Cell Materials of Wood Decay Fungi with Wood Mould Fungi ATR-FTIR光谱在木腐真菌与木霉真菌细胞材料比较中的应用
International Journal of Spectroscopy Pub Date : 2015-08-19 DOI: 10.1155/2015/521938
B. Gupta, B. P. Jelle, T. Gao
{"title":"Application of ATR-FTIR Spectroscopy to Compare the Cell Materials of Wood Decay Fungi with Wood Mould Fungi","authors":"B. Gupta, B. P. Jelle, T. Gao","doi":"10.1155/2015/521938","DOIUrl":"https://doi.org/10.1155/2015/521938","url":null,"abstract":"Acknowledgments. The authors are thankful to the Research Council of Norway, Viken Skog BA, Treindustrien, the Wood Technology Research Fund at the Norwegian Institute of Wood Technology, Jotun AS, and Kebony ASA for the financial support and to the Norwegian University of Life Sciences (UMB), the Norwegian Forest and Landscape Institute, and the Norwegian Institute of Wood Technology for research cooperation. Additionally, the authors would like to acknowledge valuable comments from Dr. Per Jostein Hovde from NTNU and Dr. Lone Ross Gobakken from the Norwegian Forest and Landscape Institute at As, Norway.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"20 4 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"2015-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74577578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 36
On the Molecular Modeling Analyses of Novel HIV-1 Protease Inhibitors Based on Modified Chitosan Dimer 基于修饰壳聚糖二聚体的新型HIV-1蛋白酶抑制剂的分子模拟分析
International Journal of Spectroscopy Pub Date : 2015-03-19 DOI: 10.1155/2015/174098
.. Z.I.A.AL-Fifi, N. Saleh, H. Elhaes, M. Ibrahim
{"title":"On the Molecular Modeling Analyses of Novel HIV-1 Protease Inhibitors Based on Modified Chitosan Dimer","authors":".. Z.I.A.AL-Fifi, N. Saleh, H. Elhaes, M. Ibrahim","doi":"10.1155/2015/174098","DOIUrl":"https://doi.org/10.1155/2015/174098","url":null,"abstract":"The molecular modeling studies include quantitative structure activity relationship, IR spectra, and docking calculations, occurring for novel inhibitors based on chitosan dimer which were tried as HIV protease. The inhibitors were investigated with molecular modeling calculations at different level of theories. Each compound has phenol with hydroxymethylcarbonyl (HMC) group which added to chitosan in positions 2, 3, 2′, or 3′. The geometry of studied compounds is optimized with semiempirical PM3 method. Quantitative structure activity relationship (QSAR) properties of the suggested compounds are calculated at the same level of theory. Depending on QSAR calculations, the compounds with positions 2 and 2′ are less hydrophilic. The position 2′ compound makes good docking interaction into HIV protease active site. Calculated IR spectra indicate that the interaction through hydrogen bonding through the hydrogen of OH at positions 3 and 3′ gives rise to two OH bands one for chitosan and the other for phenol and HMC group. While at position 3′ CH band starts to appear.","PeriodicalId":14329,"journal":{"name":"International Journal of Spectroscopy","volume":"27 1","pages":"1-9"},"PeriodicalIF":0.0,"publicationDate":"2015-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74046491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
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