Synthesis and 2D NMR characterization of Ni(II), Pd(II), and Cu(II) complexes with H2cdsalen (methyl-2{N-[2-(2′-hydroxyphenyl)methylidenenitrilo]ethyl}amino-1-cyclopentenedithiocarboxylate)

2012 ◽  
Vol 90 (3) ◽  
pp. 237-242
Author(s):  
T.J. Morales-Juárez ◽  
M.C. Sánchez-López ◽  
R.M. Gómez-Espinosa ◽  
I. García-Orozco ◽  
D. Corona-Becerril
Keyword(s):  
Nuclear Overhauser Effect ◽  
2D Nmr ◽  
Conformational Studies ◽  
Overhauser Effect ◽  
Nmr Characterization ◽  
Nuclear Overhauser ◽  
2D Roesy

In this study we report on the preparation of Ni(II), Pd(II), Co(II), and Cu(II) complexes with H2cdsalen (methyl-2{N-[2-(2′-hydroxyphenyl)methylidenenitrilo]ethyl}amino-1-cyclopentenedithiocarboxylate)salicylaldehyde. The products were characterized using 1D NMR (1H and 13C) and 2D NMR (COSY, NOESY, and ROESY) techniques. The conformational studies of the complexes with Ni and Pd in solution have been performed with help of the nuclear Overhauser effect (NOE) and 2D ROESY experiments.

scholarly journals Benderamide A, a Cyclic Depsipeptide from a Singapore Collection of Marine Cyanobacterium cf. Lyngbya sp.

Marine Drugs ◽  
2018 ◽  
Vol 16 (11) ◽  
pp. 409 ◽  
Author(s):  
Chi Ding ◽  
Ji Ong ◽  
Hui Goh ◽  
Cynthia Coffill ◽  
Lik Tan
Keyword(s):  
Breast Cancer Cells ◽  
Nuclear Overhauser Effect ◽  
2D Nmr ◽  
Marine Cyanobacterium ◽  
One Dimensional ◽  
Mechanistic Pathway ◽  
Overhauser Effect ◽  
Cyclic Depsipeptide ◽  
Nuclear Overhauser ◽  
Related Compounds

Benderamide A (1), a (S)-2,2-dimethyl-3-hydroxy-7-octynoic acid (S-Dhoya)-containing cyclic depsipeptide that belongs to the kulolide superfamily, was isolated from a Singapore collection of cf. Lyngbya sp. marine cyanobacterium using a bioassay-guided approach. While the planar structure of 1 was elucidated using a combination of 1D and 2D NMR experiments and MS analysis, the absolute configuration was subsequently achieved using the results obtained from Marfey’s analysis, comparative analysis of nuclear overhauser effect spectroscopy (NOESY) with the known compound 3, and one dimensional-nuclear overhauser effect (1D-NOE). Although 1 did not display antiproliferative activity against MCF7 breast cancer cells, the presence of an Ala instead of Gly suggests a possible mechanistic pathway to explain the consequential decrease in cytotoxicity compared to the closely related 2. In addition, results obtained from an LC–MS/MS-based molecular networking algorithm revealed two other closely related compounds encouraging further identification and isolation from the same marine cyanobacterium extract.

scholarly journals Characterization of Halogen Bonded Adducts in Solution by Advanced NMR Techniques

2017 ◽  
Author(s):  
Gianluca Ciancaleoni
Keyword(s):  
Nuclear Overhauser Effect ◽  
Halogen Bonding ◽  
X Ray Crystallography ◽  
Diffusion Nmr ◽  
Overhauser Effect ◽  
Crucial Information ◽  
Nmr Techniques ◽  
Nuclear Overhauser ◽  
And Diffusion

In the last 20 years, a huge amount of experimental results about halogen bonding (XB) has been produced. Most of the systems have been characterized by solid state X-ray crystallography, whereas in solution the only routine technique is the titration (by using 1H and 19F NMR, IR, UV-Vis or Raman spectroscopies, depending on the nature of the system), with the aim of characterizing the strength of the XB interaction. Unfortunately, the titration techniques have many intrinsic limitations and they should be coupled with other, more sophisticated techniques to have an accurate and detailed description of the geometry and stoichiometry of the XB adduct in solution. In this review, it will be shown how crucial information about XB adducts can be obtained by advanced NMR techniques, as Nuclear Overhauser Effect-based Spectroscopies (NOESY, ROESY, HOESY…) and diffusion NMR techniques (PGSE or DOSY).

The isolation and structural elucidation of a new iridoid glycoside from Cymbaria dahurica L.

2018 ◽  
Vol 73 (6) ◽  
pp. 377-379 ◽  
Author(s):  
Cui-Lan Bai ◽  
Qing-Hu Wang ◽  
Yan-Hua Xu ◽  
Jun-Sheng Han ◽  
Yin-Ping Bao
Keyword(s):  
Quantum Coherence ◽  
Nuclear Overhauser Effect ◽  
Multiple Bond ◽  
2D Nmr ◽  
Iridoid Glycoside ◽  
Correlation Spectroscopy ◽  
Etoac Extract ◽  
Overhauser Effect ◽  
Nuclear Overhauser ◽  
C Nmr

AbstractA new iridoid glycoside, namely, cymdahoside A (1), together with two known ones, 2 and 3, were isolated from the EtOAc extract of Cymbaria dahurica. The structure elucidation of 1 was carried out by one-dimensional (1D) NMR (1H and 13C NMR) and 2D NMR (correlation spectroscopy, heteronuclear single-quantum coherence, heteronuclear multiple-bond correlation and nuclear Overhauser effect spectroscopy) spectral analyses.

Characterization of Helix Terminating Schellman Motifs in Peptides. Crystal Structure and Nuclear Overhauser Effect Analysis of a Synthetic Heptapeptide Helix

1997 ◽  
Vol 119 (39) ◽  
pp. 9246-9251 ◽  
Author(s):  
Saumen Datta ◽  
N. Shamala ◽  
Arindam Banerjee ◽  
Animesh Pramanik ◽  
Surajit Bhattacharjya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nuclear Overhauser Effect ◽  
Effect Analysis ◽  
Overhauser Effect ◽  
Nuclear Overhauser

1H NMR studies of [N-MeAib1, Tyr(Me)4]ANGII and [N-MeAib1, Tyr(Me)4, Ile8]ANGII in dimethylsulfoxide by nuclear Overhauser effect (NOE) enhancement spectroscopy: cis-trans Isomerism of the His-Pro bond

1990 ◽  
Vol 55 (4) ◽  
pp. 1106-1111 ◽  
Author(s):  
John Matsoukas ◽  
Paul Cordopatis ◽  
Raghav Yamdagni ◽  
Graham J. Moore
Keyword(s):  
1H Nmr ◽  
Nuclear Overhauser Effect ◽  
Nmr Studies ◽  
Restricted Rotation ◽  
Overhauser Effect ◽  
Major Isomer ◽  
Conformational Properties ◽  
Nuclear Overhauser

The conformational properties of the Sarmesin analogues [N-MeAib1, Tyr(Me)4]ANGII and [N-MeAib1, Tyr(Me)4, Ile8]ANGII in hexadeutero-dimethysulfoxide were investigated by Nuclear Overhauser Effect (NOE) Enhancement Studies. Cis-trans isomers (ratio 1 : 6) due to restricted rotation of the His-Pro bond were observed. Interresidue interactions between the His Cα proton and the two Pro Cδ protons revealed that the major isomer was the trans.

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