3-(3,4-Dichlorophenyl)-5-(1H-indol-5-yl)-1,2,4-oxadiazole was synthesized via the condensation of 3,4-dichlorobenzamidoxime and methyl 1H-indole-5-carboxylate using a superbasic medium (NaOH/DMSO). The compound tested as potential inhibitor human monoamine oxidase (MAO) A B. It demonstrated notable inhibition with an IC50 value 0.036 μM for MAO-B isoform specificity. product characterized by 1H...

In the Joint Center for Structural Genomics, one-dimensional (1D) 1H NMR spectroscopy is routinely used to characterize the folded state of protein targets and, thus, serves to guide subsequent crystallization efforts and to identify proteins for NMR structure determination. Here, we describe 1D 1H NMR screening of a group of 79 mouse homologue proteins, which correlates the NMR data with the o...

The 1H nuclear magnetic resonance (NMR) spectra and the dipolar spin-lattice relaxation time T1D for 1H in the natural natrolite (Na2Al2Si3O10·2H2O) have been measured in the temperature range of 190-390 K. From the temperature transformations of 1H NMR spectra, it follows that at T > 300 K, the diffusion of water molecules along the nano-channels is observed. From experimental T1D data, it fol...

A solid-state 15N-1H correlation NMR experiment is presented, which provides a substantial gain in signal sensitivity by 1H inverse detection under fast MAS conditions and allows for the precise determination of NH bond lengths via heteronuclear 1H-15N dipole-dipole couplings on samples naturally abundant in 15N. Pulsed-field gradients or, alternatively, radio frequency pulses ensure suppressio...

Re-investigation of the 1H-NMR spectrum reported for 15-bromo-4-oxa-2,9diaza-1(2,4)-pyrimidine-3(1,3)-benzenacyclononaphane (2) prepared via a Mitsunobumediated macroether cyclisation led to a proposed structural isomer (3). The title compound (3) was prepared via a two-step protocol and assigned using 1H, 13C-NMR and LC-MS.

The lower detection limit for 2 distinct crystalline phases by 1H magic-angle spinning (MAS) solid-state nuclear magnetic resonance (NMR) is investigated for a minority amount of cimetidine (anhydrous polymorph A) in a physical mixture with the anhydrous HCl salt of cimetidine. Specifically, 2-dimensional 1H double-quantum (DQ) MAS NMR spectra of polymorph A and the anhydrous HCl salt constitut...

abstarct:a simple one-pot synthesis of pyrano[ 2,3-c]pyrazoles was developed by a three-component reaction of various benzaldehydes, malononitrile and 1-phenyl or hydro-3-methyl-1h-pyrazol-5(4h)-one in the presence of n-methyl pyridinium p-toluene sulfonate (nmpyts) as a catalyst. all of the synthesized compounds were identified by ir, 1h nmr, 13c nmr and mass spectroscopy techniques. in the me...

Because it is doubly unsaturated, gaseous limonene and ozone reactions exhibit considerable potential for not only a large quantity of secondary organic aerosol (SOA), but also a diverse and complicated product mixture influenced by reactant conditions. We explore the chemistry of limonene ozonolysis and provide evidence that under low-NOx conditions, the endocyclic double bond is oxidized in t...

Background/aims: This study aimed to apply 1H spectrum Nuclear Magnetic Resonance spectroscopy (1H-NMR) to detect the metabolites in pancreatic cancer tissue and paired adjacent tissue samples. Methods: 48 samples were taken from cancer tissues of 24 pancreatic cancer patients and paired adjacent tissues. The samples were subjected to 1H-NMR and principle component analysis to compare endogenou...