On the molecular dynamics in long-acting calcium channel blocker lacidipine: solid-state NMR, neutron scattering and periodic DFT study

RSC Advances ◽  
2016 ◽  
Vol 6 (71) ◽  
pp. 66617-66629 ◽  
Author(s):  
Aleksandra Pajzderska ◽  
Kacper Drużbicki ◽  
Anna Kiwilsza ◽  
Miguel Angel Gonzalez ◽  
Jacek Jenczyk ◽  
...  
Keyword(s):  
Solid State ◽  
Neutron Scattering ◽  
Calcium Channel ◽  
Calcium Channel Blocker ◽  
Solid State Nmr ◽  
Channel Blocker ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Long Acting ◽  
New Generation

A new-generation lipophilic calcium channel blocker lacidipine (LCDP) has been thoroughly explored by combining solid-state nuclear magnetic resonance (NMR) with high-flux quasi-elastic (QENS) and inelastic neutron scattering (INS) experiments.

Investigation of Methyl Reorientations in 1,4-Dimethoxy- 2,6-dimethylbenzene by NMR and Inelastic Neutron Scattering

1979 ◽  
Vol 34 (5) ◽  
pp. 631-645 ◽  
Author(s):  
R. A. Wind ◽  
W. M. M. J. Bovée ◽  
J. C. F. Kupers ◽  
J. Smidt ◽  
Chr. Steenbergen
Keyword(s):  
Solid State ◽  
Neutron Scattering ◽  
Liquid State ◽  
Solid State Nmr ◽  
Inelastic Neutron Scattering ◽  
Nmr Relaxation ◽  
Inelastic Neutron ◽  
Methyl Groups ◽  
Methyl Group ◽  
Nmr Study

Abstract In this paper a solid state NMR relaxation study and inelastic neutron scattering (INS) experiments (the latter in the solid and liquid phase) are reported for a molecule containing methyl groups in different surroundings, namely 1,4-dimethoxy-2,6-dimethylbenzene. The results are compared with each other and with those of a liquid state NMR study reported earlier. It is found that in this way both the shapes and magnitudes of the various hindering potentials can be determined. The result is that the methyl groups 1, 2 and 4 possess a threefold cosine-shaped potential with heights given by 7.7, 9.0 and 15.0 kJ/mol according to the solid state NMR measurements (from the INS study the values 7.5, 7.5 and 16.0 kJ/mol were obtained). For methyl group 6 a mixture of a three-and six-fold symmetry had to be taken into account in order to explain the experiments. Except for methyl group 4 the liquid state NMR results deviate from those obtained with the other two techniques. A possible cause for this discrepancy is discussed. For the molecular structure it is concluded that the reorientations of the methyl groups 1 and 2 are influenced by mutual hindering and that the angle between the plane through the C4-O-C bond and the aromatic plane is small, whereas for the C1-O-C bond this angle is estimated to be about 70°.

Effects of an Antihypertensive Combination in Japanese Hypertensive Outpatients Based on the Long-Acting Calcium Channel Blocker Benidipine on Vascular and Renal Events: A Sub-Analysis of the COPE Trial

2020 ◽  
Vol 16 ◽  
Author(s):  
Seiji Umemoto ◽  
Toshio Ogihara ◽  
Masunori Matsuzaki ◽  
Hiromi Rakugi ◽  
Kazuyuki Shimada ◽  
...  
Keyword(s):  
Blood Pressure ◽  
Calcium Channel ◽  
Calcium Channel Blocker ◽  
Channel Blocker ◽  
Rank Test ◽  
Vascular Events ◽  
Treatment Groups ◽  
Β Blocker ◽  
The Difference ◽  
Long Acting

Background: In the trial known as COPE (Combination Therapy of Hypertension to Prevent Cardiovascular Events) three benidipine (a calcium channel blocker; CCB) regimens were compared. Hypertensive Japanese outpatients aged 40–85 years (n=3,293) who did not achieve the target blood pressure of <140/90 mmHg with benidipine 4 mg/day were treated with the diuretic thiazide (n=1,094) or a β-blocker (n=1,089) or an additional angiotensin receptor blocker (ARB; n=1,110). A significantly higher incidence of hard cardiovascular composite endpoints and of fatal or non-fatal strokes was observed in the benidipine-β-blocker group compared to the benidipine-thiazide group. Objective and Methods: We further evaluated the treatment effects of the three benidipine-based regimens on vascular and renal events in a sub-analysis of the COPE patients. Results: A total of 10 vascular events (0.8 per 1,000 person-years) including one aortic dissection (0.1 per 1,000 person-years) and nine cases of peripheral artery disease (0.8 per 1,000 person-years) were documented, as was a total of seven renal events (0.6 per 1,000 person-years). No significant differences in vascular and renal events were revealed among the three treatment groups: vascular events p=0.92 renal events p=0.16 log-rank test. Conclusions: Blood pressure-lowering therapy with benidipine combined with an ARB, β-blocker, or thiazide was similarly effective in the prevention of vascular and renal events in hypertensive outpatients, although there is no enough these events to compare the difference in the three treatment groups.

Dynamics of sulfonated ionomers in the solid state: inelastic neutron scattering studies

1993 ◽  
Vol 26 (8) ◽  
pp. 2007-2011 ◽  
Author(s):  
Barbara Gabrys ◽  
Dong Huang ◽  
Frederico Nardi ◽  
Dennis G. Peiffer ◽  
John Tomkinson
Keyword(s):  
Solid State ◽  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron

Solid-State Fingerprints of Molecular Threading Detected by Inelastic Neutron Scattering

ChemPhysChem ◽  
2002 ◽  
Vol 3 (12) ◽  
pp. 1038-1041 ◽  
Author(s):  
Giovanni Bottari ◽  
Roberto Caciuffo ◽  
Marianna Fanti ◽  
David A. Leigh ◽  
Stewart F. Parker ◽  
...  
Keyword(s):  
Solid State ◽  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron
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