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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
Pub Date : 2015-12-31 DOI: 10.1155/2015/691796
K. Wagner, T. Schnabel, M. Barbu, A. Petutschnigg
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.
本文利用近红外光谱和多元数据分析对木纤维皮革刨花复合板的性能进行了表征。在本研究中,使用云杉纤维以及植物和矿物鞣制皮革刨花(湿白色和湿蓝色)制造不同皮革量的纤维板。采用近红外光谱法对原料及木革纤维板进行了分析。此外,测定了木革复合纤维板的物理和机械特性,以表征其性能,为进一步的数据分析提供依据。采用主成分分析(PCA)和偏最小二乘回归(PLSR)方法对近红外光谱进行单因素和多因素分析。这些结果证明了FT-NIR光谱在估计物理和机械性能(例如,弯曲强度)方面的潜力。这种现象为使用近红外光谱的质量保证系统提供了可能性。
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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)
Pub Date : 2015-12-31 DOI: 10.1155/2015/609250
Öznur Demir-Ordu, Hale Demir-Dündar, S. Özkırımlı
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.
合成了一些新的N-[2-(芳基)-5-甲基-4-氧-1,3-噻唑烷-3-基]-吡啶-3-羧基酰胺,并通过IR、NMR (1H、13C和2D)和质谱对其结构进行了表征。在噻唑烷酮环上存在C-2和C-5立体中心,形成非对映异构体对。通过1H NMR耦合常数分析和二维核强谱(NOESY)实验,确定了两个立体中心的构型。非对映异构体采用手性固定相进行高效液相色谱(HPLC)分离。
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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
Pub Date : 2015-12-20 DOI: 10.1155/2015/701386
F. Bashirov, N. Gaisin
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.
提出了一种新的方法来模拟原子核间磁偶极-偶极相互作用对核磁共振谱线各向异性第二矩的分子内贡献。通过近似局部受阻分子运动(HMM),采用扩展角跃迁模型。理论结果允许用新的实验参数,即HMM晶体点对称群的不可约表示的动态权值来描述点对称畸变。将该理论应用于描述单晶氯化铵中质子核磁共振谱线的电子内秒矩,证明了铵离子的四方畸变四面体位对称。
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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
Pub Date : 2015-12-17 DOI: 10.1155/2015/354327
G. Cimò, P. Conte
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.
本研究旨在研究蜂蜜样品在不同温度下贮藏后水分在有机成分中的分布变化。应用快速场循环核磁共振弛豫仪,结果表明,有机成分在室温下的整个样品中分布均匀。相反,在4°C冷藏4个月后,由于分子内相互作用比分子间相互作用更稳定,水释放,有机系统被包含在持久的簇中。蜂蜜成分的新构象安排需要提高蜂蜜的水分含量。出于这个原因,可以建议蜂蜜在室温下储存之前冷藏可能不利于其长期储存。事实上,一旦样品在第一步冷藏后被加热,发酵的风险就会更高。
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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
Pub Date : 2015-12-01 DOI: 10.1155/2015/586231
P. O. Vardevanyan, A. Antonyan, M. Parsadanyan, M. Shahinyan, Gayane A. Melkonyan
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.
研究了EtBr与H33258的相互作用以及EtBr与MB与DNA的相互作用。结果表明,在联合作用下,两种配体对EtBr-DNA-H33258或EtBr-DNA-MB配合物熔融热力学参数变化的影响不是单独相互作用影响的增加。结果表明,在结合时,EtBr和MB与DNA竞争发生结合,而在EtBr和H33258的情况下,主要是它们各自对DNA双链结构的稳定作用相互加强。
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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
Pub Date : 2015-11-22 DOI: 10.1155/2015/431678
M. Arora, R. Zargar, S. D. Khan
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.
采用溶胶-凝胶法在p型硅衬底上制备了纳米氧化锌(nc-ZnO)薄膜。%, 15磅。%和25wt %)。通过高分辨率无损x射线衍射(XRD)、带能量色散x射线分析(EDS)的扫描电子显微镜(SEM)和电子顺磁共振(EPR)技术对这些膜进行了表征,以了解结构、形态和氧空位随溶胶浓度的变化。随着溶胶浓度的增加,膜表面形貌由纳米壁变为纳米棒状。EPR谱揭示了这些纳米氧化锌薄膜从铁磁性到顺磁性的系统变化。纳米氧化锌薄膜中杂质缺陷之间的强偶极-偶极相互作用产生了宽EPR共振信号。在25 wt中观察到% sol,得到了与氧空位有关的单一强窄共振信号。% sol衍生的nc-ZnO薄膜。从EPR光谱中评估杂质缺陷和氧空位的浓度,这是开发高效光电器件所必需的。
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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
Pub Date : 2015-10-18 DOI: 10.1155/2015/572840
A. Osipov, L. Osipova, R. Zainullina
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.
在293 ~ 1553 K的温度范围内,测量了%Cs2O-(100−x)%SiO2(22、27、33、37 mol%)玻璃和熔体的拉曼光谱。根据光谱的反褶积分析,计算出物种的浓度作为成分和温度的函数。结果表明,歧化反应可以描述含摩尔%熔体结构单元间的动态平衡。在27、33、37 mol%时,该反应的焓分别为32±6、43±8、56±10和52±9。非理想混合熵(Δ)取决于熔体温度,并随着温度的升高几乎呈线性增加。在0 ~ 55 mol%范围内的、和分布用实验数据模拟了各单元的浓度。
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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
Pub Date : 2015-09-07 DOI: 10.1155/2015/901386
O. Igwe, D. Udofia
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.
采用石油醚法从蚱蜢(Zonocerus variegatus L.)的腹部角质腺中提取化合物,采用气相色谱/质谱(GC/MS)技术结合傅里叶变换-红外光谱(FT-IR)对11个化合物进行了表征。分析化合物为2,7-二甲基辛烷(3.21%)、癸烷(5.33%)、十一烷(3.81%)、三烷酸甲酯(4.76%)、十六烷酸(9.37%)、11-十八烷酸甲酯(23.18%)、五烷酸、14-甲基甲酯(4.43%)、(Z)-13-十二烷酸(10.71%)、十二烷基五氟丙酸(9.52%)、2-十二烷基1,3-丙二醇(6.38%)、1,12-三烯二烯(19.30%)。萃取物的FT-IR分析显示在1270.17 (C - o和C - f)、1641.48 (C=C)、2937.68 (C - h)和3430.51 (O-H) cm−1处的峰表明存在醚、烯烃、烷烃、醇、羧酸和氟化合物。这些化合物由32.37%的酯、31.65%的烃类、20.08%的脂肪酸、9.52%的卤代酯和6.38%的醇组成。最高成分为11-十八烯酸甲酯,其次为1,12-三烯二烯。由于没有进行行为生物测定,因此认为这些化合物是信息素的半化学物质仍然是一种假设。
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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
Pub Date : 2015-08-19 DOI: 10.1155/2015/521938
B. Gupta, B. P. Jelle, T. Gao
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.
致谢作者感谢挪威研究理事会、Viken Skog BA、Treindustrien、挪威木材技术研究所木材技术研究基金、Jotun AS和Kebony ASA的财政支持,并感谢挪威生命科学大学(UMB)、挪威森林与景观研究所和挪威木材技术研究所的研究合作。此外,作者还要感谢挪威科技大学的Per Jostein Hovde博士和挪威阿斯市挪威森林与景观研究所的Lone Ross Gobakken博士的宝贵意见。
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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
Pub Date : 2015-03-19 DOI: 10.1155/2015/174098
.. Z.I.A.AL-Fifi, N. Saleh, H. Elhaes, M. Ibrahim
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.
对新型壳聚糖二聚体抑制剂进行了定量构效关系、红外光谱和对接计算等分子模拟研究。通过不同理论水平的分子模拟计算对抑制剂进行了研究。每一种化合物都含有羟基甲基羰基(HMC)基团,其在壳聚糖的2,3,2 '或3 '位置上添加。用半经验PM3方法对所研究化合物的几何结构进行了优化。在同一理论水平上计算了所建议化合物的定量构效关系(QSAR)性质。根据QSAR计算,位置为2和2 '的化合物亲水性较差。2′位化合物与HIV蛋白酶活性位点有良好的对接作用。计算得到的红外光谱表明,壳聚糖与苯酚和HMC基团通过3′和3′位置的氢键相互作用形成两个羟基带。而在3 '处,CH带开始出现。
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引用次数: 5
期刊
International Journal of Spectroscopy
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