scholarly journals Determination of the n-director direction of low bend-angle banana-shaped molecules by solid-state 13C NMR

2014 ◽  
Vol 2 (48) ◽  
pp. 10418-10427 ◽  
Author(s):  
Kazuhiko Yamada ◽  
Eun Woo Lee ◽  
Masaya Hattori ◽  
Susumu Kawauchi ◽  
E.-Joon Choi ◽  
...  
Keyword(s):  
Solid State ◽  
Quantum Chemical Calculations ◽  
13C Nmr ◽  
Quantum Chemical ◽  
Bend Angle ◽  
C Nmr ◽  
Solid State 13C Nmr

Solid-state 13C NMR combined with quantum chemical calculations could determine the n-director direction of low bend-angle banana-shaped molecules.

Structure and dynamics of poly(ethylene-co-1,5-hexadiene) as studied by solid state 13C NMR and quantum chemical calculations

2009 ◽  
Vol 921 (1-3) ◽  
pp. 208-214 ◽  
Author(s):  
Hiromichi Kurosu ◽  
Yuuri Yamamoto ◽  
Aki Fujikawa ◽  
Emika Kawabata ◽  
Masato Sone ◽  
...  
Keyword(s):  
Solid State ◽  
Quantum Chemical Calculations ◽  
13C Nmr ◽  
Quantum Chemical ◽  
Structure And Dynamics ◽  
Poly Ethylene ◽  
Solid State 13C Nmr

Determination of phenolic structures in flax fibre by solid-state 13C NMR

1994 ◽  
Vol 35 (2) ◽  
pp. 489-491 ◽  
Author(s):  
G.D. Love ◽  
C.E. Snape ◽  
M.C. Jarvis ◽  
I.M. Morrison
Keyword(s):  
Solid State ◽  
13C Nmr ◽  
Flax Fibre ◽  
Solid State 13C Nmr

Solid state 13C NMR and high temperature 1H NMR determination of bulk structural properties for mesophase-containing semi-cokes prepared from coal tar pitch

Carbon ◽  
1998 ◽  
Vol 36 (7-8) ◽  
pp. 1043-1050 ◽  
Author(s):  
J.M. Andrésen ◽  
Y. Martín ◽  
S.R. Moinelo ◽  
M.M. Maroto-Valer ◽  
C.E. Snape
Keyword(s):  
High Temperature ◽  
Solid State ◽  
Structural Properties ◽  
1H Nmr ◽  
13C Nmr ◽  
Coal Tar ◽  
Coal Tar Pitch ◽  
Solid State 13C Nmr

scholarly journals Studies of Fluxionality in Pentachlorocyclopentadienylmercurials RHgC5Cl5 by Solution and Solid State 13C NMR and by 35Cl NQR Spectroscopy

1986 ◽  
Vol 41 (1-2) ◽  
pp. 175-178
Author(s):  
Gary Wulfsberg ◽  
A. C. Buchanan ◽  
Ira Rubin ◽  
Alarich Weiss ◽  
Daniel A. Davis ◽  
...  
Keyword(s):  
Solid State ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
35Cl Nqr ◽  
Angle Spinning ◽  
C Nmr ◽  
Solid State 13C Nmr

Solution and magic-angle-spinning solid-state 13C NMR spectra are reported for η1-(pentachlorocyclopentadienyl)( pentamethylphenyl) mercury, C6Me5HgC5Cl5 (II). The latter suggests that II is fluxional in the solid state. Some expected consequences of fluxional behavior also appear in the 35Cl NQR spectra of II and several related pentachlorocyclopentadienylmercurials.

scholarly journals Modeling of Antioxidant Activity, Polyphenols and Macronutrients Content of Bee Pollen Applying Solid-State 13C NMR Spectra

Antioxidants ◽  
2021 ◽  
Vol 10 (7) ◽  
pp. 1123
Author(s):  
Sylwester Mazurek ◽  
Roman Szostak ◽  
Mateusz Kondratowicz ◽  
Magdalena Węglińska ◽  
Agnieszka Kita ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
13C Nmr ◽  
Nmr Spectra ◽  
13C Nmr Spectra ◽  
Bee Pollen ◽  
Relative Standard ◽  
Solid State 13C Nmr

An application of solid 13C nuclear magnetic resonance (NMR) spectroscopy for the determination of macronutrients, total polyphenols content, antioxidant activity, N C S elements, and pH in commercially available bee pollens is reported herein. Solid-state 13C NMR spectra were recorded for homogenized pollen granules without chemical treatment or dissolution of samples. By combining spectral data with the results of reference analyses, partial least squares models were constructed and validated separately for each of the studied parameters. To characterize and compare the models’ quality, the relative standard errors of prediction (RSEP) were calculated for calibration and validation sets. In the case of the analysis of protein, fat and reducing sugars, these errors were in the 1.8–2.5% range. Modeling the elemental composition of bee pollen on the basis of 13C NMR spectra resulted in RSEPcal/RSEPval values of 0.3/0.6% for the sum of NHCS elements, 0.3/0.4% for C, 1.8/1.9% for N, and 4.2/6.1% for S quantification. Analyses of total phenolics and ABTS antioxidant activity resulted in RSEP values in the 2.7–3.5% and 2.8–3.8% ranges, respectively, whereas they were 1.4–2.1% for pH. The obtained results demonstrate the usefulness of 13C solid-state NMR spectroscopy for direct determination of various important physiochemical parameters of bee pollen.

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