因此准确地表达1H NMR化学位移值数据就十分地重要。所有氢谱信号可分为单重峰s(缩写自singlet)与多重峰两大类, 多重峰又进一步划分为有规则多重峰(见下段)与不规则多重峰m两次大类(subclass 4、ification)。前者更进一步划分为有规则简单多重峰(simple multiplet7)与有规则组合多重峰(compound peak, 见下段)...
3 1H-NMR spectra of CPMG in serum of rats in each group 表 1 大鼠血清 1H-NMR 图谱中主要代谢物峰归属 Table 1 Peak attribution in 1H-NMR spectra for main metabolites in serum of rats 代谢物 脂类 异亮氨酸 3-羟基丁酸 乳酸 丙氨酸 δ 0.85 0.97/1.02 0.98/1.05 1.34 1.44 编号 6 7 8 9 ...
3 PCA score plot(A),OPLS score plot(B)and corresponding S-plot(C)derived from 1H-NMR spectra of liposolu‐ ble metabolites from brain tissues of rats 28 d after CUMS modeling Table 5 表 5 脑组织水溶性差异代谢物模型组和对照组的峰面积和变化趋势( x ±s,n = 6) Peak areas and change...
Quantification of metabolites was conducted using ChenomX NMR Suite 8.6. after matching the shape and position of a compound signature in the software to the shape of our spectrum (peak-based fit style). Compound concentrations were measured by determining the height of each compound signature that...
The objectives of the present project were two fold; first, we evaluated the metabolic profile and dynamics over time of patients undergoing a pharmacological stress test compared to those undergoing exercise stress test on a treadmill; secondly, we evaluated the capacity of1H NMR spectroscopy to pr...
Next, one-dimen- sional 1H-NMR spectra were acquired applying a stand- ard pulse sequence with suppression of the water peak (Bruker pulse program library noesygppr1d). Fourier transformation and fully automated phasing and baseline correction was done via the Bruker standard automation program ...
Table 1. 1H- and 13C-NMR resonance for the methylrsenic(III) complexes MeAs(III) complexesMeAs NMR resonanceMe2As(III) complexesMe2As NMR resonance Empty Cell1H13C Empty Cell1H13C [MeAs(S2COEt)2] 1.93 17.4 [Me2As(S2COEt)] 1.44 13.6 [MeAs(S2CNMe2)2] 2.05 23.2 [Me2As(S2CNMe2)] ...
Jancke et al. proposed NMR spectroscopy as a relative primary analytical method[9], because it can be described completely by mathematical equations from which a full uncertainty budget may be derived, allowing it to be employed at the highest metrological level. He also made clear that1H NMR ...
Additional file 1: Table S1 provides the chemical shifts of tea leaf metabolites and their corresponding multiplicity or coupling constant from tea leaves assigned by TOCSY and HSQC NMR experiments. Fig. 1 Representative 1H 700 MHz NMR spectra of tea leaf extracts from 8-year-old (a) and 25-...
1H-NMR peak intensities of LMWMs analyzed using PCA.Taiji WatanabeAmiu ShinoKinya AkashiJun Kikuchi