2,2′-((1,4-Dimethoxy-1,4-dioxobutane-2,3-diylidene)bis(azanylylidene))bis(quinoline-3-carboxylic acid)

The title compound, 2,2′-((1,4-dimethoxy-1,4-dioxobutane-2,3-diylidene)bis(azanylylidene))bis(quinoline-3-carboxylic acid) was synthesized from isoxazolo[3,4-b]quinolin-3(1H)-one and dimethyl acetylenedicarboxylate (DMAD) via a double aza-Michael addition followed by [1,3]-H shifts. The product was characterized by infrared and nuclear magnetic resonance spectroscopy, as well as elemental analysis and high-resolution mass spectrometry (HRMS). The proposed reaction mechanism was rationalized by density functional theory (DFT) calculations.

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New insights into dissociation of deprotonated 2,4-dinitrotoluene by combined high-resolution mass spectrometry and density functional theory calculations

Rapid Communications in Mass Spectrometry ◽

10.1002/rcm.7076 ◽

2014 ◽

Vol 29 (1) ◽

pp. 29-34 ◽

Cited By ~ 2

Author(s):

Adrián Schwarzenberg ◽

Jean-Claude Tabet ◽

Richard B. Cole ◽

Xavier Machuron-Mandard ◽

Héloïse Dossmann

Keyword(s):

Mass Spectrometry ◽

Density Functional Theory ◽

High Resolution ◽

Density Functional ◽

High Resolution Mass Spectrometry ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

High Resolution Mass ◽

Resolution Mass

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Identification of Degradation Products in the Phosphodiesterase (PDE-4) Inhibitor Roflumilast Using High Resolution Mass Spectrometry and Density Functional Theory Calculations

Mass Spectrometry Letters ◽

10.5478/msl.2015.6.2.38 ◽

2015 ◽

Vol 6 (2) ◽

pp. 38-42 ◽

Cited By ~ 3

Author(s):

Saroj Kumar Paul ◽

Upendra N. Dash

Keyword(s):

Mass Spectrometry ◽

Density Functional Theory ◽

High Resolution ◽

Density Functional ◽

High Resolution Mass Spectrometry ◽

Degradation Products ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

High Resolution Mass ◽

Resolution Mass

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Genetic engineering, high resolution mass spectrometry and nuclear magnetic resonance spectroscopy elucidate the bikaverin biosynthetic pathway in Fusarium fujikuroi

Fungal Genetics and Biology ◽

10.1016/j.fgb.2015.09.006 ◽

2015 ◽

Vol 84 ◽

pp. 26-36 ◽

Cited By ~ 20

Author(s):

Birgit Arndt ◽

Lena Studt ◽

Philipp Wiemann ◽

Helena Osmanov ◽

Karin Kleigrewe ◽

...

Keyword(s):

Mass Spectrometry ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

High Resolution ◽

Magnetic Resonance Spectroscopy ◽

Biosynthetic Pathway ◽

High Resolution Mass Spectrometry ◽

Fusarium Fujikuroi ◽

Resonance Spectroscopy ◽

Resolution Mass

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Structure elucidation and quantification of impurities formed between 6-aminocaproic acid and the excipients citric acid and sorbitol in an oral solution using high-resolution mass spectrometry and nuclear magnetic resonance spectroscopy

Journal of Pharmaceutical and Biomedical Analysis ◽

10.1016/j.jpba.2015.01.022 ◽

2015 ◽

Vol 107 ◽

pp. 333-340 ◽

Cited By ~ 8

Author(s):

Anne Marie V. Schou-Pedersen ◽

Claus Cornett ◽

Nils Nyberg ◽

Jesper Østergaard ◽

Steen Honoré Hansen

Keyword(s):

Mass Spectrometry ◽

Nuclear Magnetic Resonance ◽

Citric Acid ◽

High Resolution ◽

Structure Elucidation ◽

High Resolution Mass Spectrometry ◽

Aminocaproic Acid ◽

Oral Solution ◽

Resonance Spectroscopy ◽

Resolution Mass

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Bioprofiling of Salvia miltiorrhiza via planar chromatography linked to (bio)assays, high resolution mass spectrometry and nuclear magnetic resonance spectroscopy

Journal of Chromatography A ◽

10.1016/j.chroma.2017.12.014 ◽

2018 ◽

Vol 1533 ◽

pp. 180-192 ◽

Cited By ~ 23

Author(s):

Ebrahim Azadniya ◽

Gertrud E. Morlock

Keyword(s):

Mass Spectrometry ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

High Resolution ◽

Magnetic Resonance Spectroscopy ◽

High Resolution Mass Spectrometry ◽

Salvia Miltiorrhiza ◽

Resonance Spectroscopy ◽

Planar Chromatography ◽

Resolution Mass

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Combined Use of High-Resolution α-Glucosidase Inhibition Profiling and High-Performance Liquid Chromatography–High-Resolution Mass Spectrometry–Solid-Phase Extraction–Nuclear Magnetic Resonance Spectroscopy for Investigation of Antidiabetic Principles in Crude Plant Extracts

Journal of Agricultural and Food Chemistry ◽

10.1021/jf506297k ◽

2015 ◽

Vol 63 (8) ◽

pp. 2257-2263 ◽

Cited By ~ 31

Author(s):

Kenneth T. Kongstad ◽

Ceylan Özdemir ◽

Asmah Barzak ◽

Sileshi G. Wubshet ◽

Dan Staerk

Keyword(s):

Mass Spectrometry ◽

Nuclear Magnetic Resonance ◽

High Resolution ◽

High Performance ◽

High Resolution Mass Spectrometry ◽

Solid Phase ◽

Resonance Spectroscopy ◽

Phase Extraction ◽

Combined Use ◽

Resolution Mass

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Hydrogen Bond and Proton Transport in Acid–Base Complexes and Amphoteric Molecules by Density Functional Theory Calculations and 1H and 31P Nuclear Magnetic Resonance Spectroscopy

The Journal of Physical Chemistry B ◽

10.1021/jp4094386 ◽

2013 ◽

Vol 117 (50) ◽

pp. 16345-16355 ◽

Cited By ~ 10

Author(s):

Liqing Xie ◽

Huiting Liu ◽

Shuaiyuan Han ◽

Baohua Yue ◽

Liuming Yan

Keyword(s):

Density Functional Theory ◽

Nuclear Magnetic Resonance ◽

Hydrogen Bond ◽

Proton Transport ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Resonance Spectroscopy ◽

Acid Base ◽

Functional Theory ◽

Amphoteric Molecules

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Five New Ent-Atisene Glycosides From Stevia rebaudiana

Natural Product Communications ◽

10.1177/1934578x19862651 ◽

2019 ◽

Vol 14 (7) ◽

pp. 1934578X1986265

Author(s):

Krishna P. Devkota ◽

Romila D. Charan ◽

Christopher Priedemann ◽

Ryan Donovan ◽

Tara M. Snyder ◽

...

Keyword(s):

Mass Spectrometry ◽

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

High Resolution ◽

Magnetic Resonance Spectroscopy ◽

High Resolution Mass Spectrometry ◽

Stevia Rebaudiana ◽

Resonance Spectroscopy ◽

Stevia Rebaudiana Bertoni ◽

Resolution Mass

Five new ent-atisene diterpene glycosides (1-5) have been isolated from Stevia rebaudiana Bertoni. This adds to a list of only 2 new ent-atisene diterpene glycosides isolated previously from S. rebaudiana. Diterpene glycosides isolated from S. rebaudiana, such as the rebaudiosides, are typically associated with the ent-kaurene core and glycosylation at the C-13 and C-19 positions. Extensive application of nuclear magnetic resonance spectroscopy techniques (1H, 13C, 1D-TOCSY, COSY, HSQC-DEPT, HMBC, and ROESY) as well as high-resolution mass spectrometry demonstrated that the ent-atisenes 1 to 5 had glycosylation patterns identical to rebaudiosides J, N, O, K, and T, respectively. We have named these compounds stevatisene J, N, O, K, and T, respectively.

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