Time-Domain Proton Nuclear Magnetic Resonance and Chemometrics for Identification and Classification of Brazilian Petroleum

2013 ◽  
Vol 27 (11) ◽  
pp. 6560-6566 ◽  
Author(s):  
Lúcio L. Barbosa ◽  
Cristina M. S. Sad ◽  
Vinícius G. Morgan ◽  
Maria F. P. Santos ◽  
Eustáquio V. R. Castro
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Time Domain ◽  
Proton Nuclear Magnetic Resonance ◽  
Nuclear Magnetic

scholarly journals Classification of intact fresh plums according to sweetness using time-domain nuclear magnetic resonance and chemometrics

2013 ◽  
Vol 108 ◽  
pp. 14-17 ◽  
Author(s):  
Fabíola Manhas Verbi Pereira ◽  
André de Souza Carvalho ◽  
Luís Fernando Cabeça ◽  
Luiz Alberto Colnago
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Time Domain ◽  
Nuclear Magnetic

scholarly journals Proton nuclear magnetic resonance-based metabonomic models for non-invasive diagnosis of liver fibrosis in chronic hepatitis C: Optimizing the classification of intermediate fibrosis

2018 ◽  
Vol 10 (1) ◽  
pp. 105-115 ◽  
Author(s):  
Andrea Dória Batista ◽  
Carlos Jonnatan Pimentel Barros ◽  
Tássia Brena Barroso Carneiro Costa ◽  
Michele Maria Gonçalves de Godoy ◽  
Ronaldo Dionísio Silva ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Chronic Hepatitis ◽  
Hepatitis C ◽  
Magnetic Resonance ◽  
Liver Fibrosis ◽  
Chronic Hepatitis C ◽  
Proton Nuclear Magnetic Resonance ◽  
Non Invasive ◽  
Nuclear Magnetic

scholarly journals Implementing time-domain 1H-Nuclear Magnetic Resonance relaxometry to investigate recovery and stability of vegetative oil in bioenergy crops following feedstock preprocessing

2020 ◽  
Author(s):  
Shraddha Maitra ◽  
Bruce Dien ◽  
Stephen P. Long ◽  
Vijay Singh
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Oil Recovery ◽  
Time Domain ◽  
Cellulosic Biomass ◽  
Biofuel Production ◽  
Proton Nuclear Magnetic Resonance ◽  
Bioenergy Crops ◽  
H Nmr ◽  
Nuclear Magnetic

Abstract Background The bioenergy crops energycane, miscanthus and, sorghum are being genetically modified using state of the art synthetic biotechnology techniques to accumulate energy-rich molecules such as triacylglycerides (TAGs) in their vegetative cells to enhance their utility for biofuel production. Typically, measuring and analyzing vegetative lipid contents at each step of feedstock preprocessing requires tedious sample preparation and extraction with an organic solvent. In the present study, proton nuclear magnetic resonance ( 1 H-NMR) spectroscopy was successfully adapted for non-invasive and rapid quantification of vegetative oil in untreated and pretreated cellulosic biomass. Results We show that the establishment of a precise and specific NMR calibration for each biomass with a distinct oil composition is key for accurate quantification of vegetative oil. The values obtained with 1 H-NMR were validated using a conventional solvent extraction method and cross-referenced values were within 10% deviation. 1 H-NMR relaxation time distribution provided insight into the proton environment associated with the vegetative oil in the biomass. T1T2 correlation spectra resolved two distinct populations of proton molecules based on their ‘molecular tumbling’ rate. The population of protons with short and long relaxation times was characterized as bound and free oil in the biomass sample, respectively. Besides, we show that biomass pretreated with two-staged hydrothermal and mechanical pretreatment can be directly used for NMR analysis unlike dilute acid and alkaline pretreated biomass which needs an additional step for neutralization of sample. Conclusion Time-domain 1 H-NMR provides a chemical-free and one-step analysis of in situ vegetative oil in transgenic cellulosic biomass. T1T2 correlation spectra facilitated the resolution of the influence of various pretreatment procedures typical of cellulosic bioprocessing on the chemical composition of molecular and local 1 H population in each sample, hence yield information on the stability and oil recovery subsequent to each step of feedstock preprocessing.

scholarly journals N-[7-Chloro-4-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl] quinoline]-acetamide

Molbank ◽  
10.3390/m1213 ◽  
2021 ◽  
Vol 2021 (2) ◽  
pp. M1213
Author(s):  
Paolo Coghi ◽  
Jerome P. L. Ng ◽  
Ali Adnan Nasim ◽  
Vincent Kam Wai Wong
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Quantum Coherence ◽  
Biologically Active ◽  
Proton Nuclear Magnetic Resonance ◽  
Dipolar Cycloaddition ◽  
Heteronuclear Single Quantum Coherence ◽  
Pharmacokinetic Properties ◽  
Nuclear Magnetic

The 1,2,3-triazole is a well-known biologically active pharmacophore constructed by the copper-catalyzed azide–alkyne cycloaddition. We herein reported the synthesis of 4-amino-7-chloro-based [1,2,3]-triazole hybrids via Cu(I)-catalyzed Huisgen 1,3-dipolar cycloaddition of 4-azido-7-chloroquinoline with an alkyne derivative of acetaminophen. The compound was fully characterized by Fourier-transform infrared (FTIR), proton nuclear magnetic resonance (1H-NMR), carbon-13 nuclear magnetic resonance (13C-NMR), heteronuclear single quantum coherence (HSQC), ultraviolet (UV) and high-resolution mass spectroscopies (HRMS). This compound was screened in vitro with different normal and cancer cell lines. The drug likeness of the compound was also investigated by predicting its pharmacokinetic properties.

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