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Search for "data analysis" in Full Text gives 90 result(s) in Beilstein Journal of Organic Chemistry.

Multichromophoric sugar for fluorescence photoswitching

  • Stéphane Maisonneuve,
  • Rémi Métivier,
  • Pei Yu,
  • Keitaro Nakatani and
  • Juan Xie

Beilstein J. Org. Chem. 2014, 10, 1471–1481, doi:10.3762/bjoc.10.151

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  • Urbana-Champaign, which includes reconvolution analysis and non-linear least-squares minimization method. The shortest fluorescence decay time accessible by our instrumental set-up and our data analysis method was estimated to be around 10 ps (time-resolution). Methyl 2,3,4-tri-O-propargyl-6-O-trityl-α-D
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Published 30 Jun 2014

A new building block for DNA network formation by self-assembly and polymerase chain reaction

  • Holger Bußkamp,
  • Sascha Keller,
  • Marta Robotta,
  • Malte Drescher and
  • Andreas Marx

Beilstein J. Org. Chem. 2014, 10, 1037–1046, doi:10.3762/bjoc.10.104

Graphical Abstract
  • -1), we gratefully acknowledge Sebastian Höfel´s contribution to EPR data analysis.
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Published 07 May 2014

Synthesis, characterization and initial evaluation of 5-nitro-1-(trifluoromethyl)-3H-1λ3,2-benziodaoxol-3-one

  • Nico Santschi,
  • Roman C. Sarott,
  • Elisabeth Otth,
  • Reinhard Kissner and
  • Antonio Togni

Beilstein J. Org. Chem. 2014, 10, 1–6, doi:10.3762/bjoc.10.1

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  • description of the 19F NMR monitoring experiments and data analysis. Acknowledgements This work was supported by ETH Zürich. C. Mensing is gratefully acknowledged for recording the DSC traces.
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Published 02 Jan 2014

Silica sulfuric acid: a reusable solid catalyst for one pot synthesis of densely substituted pyrrole-fused isocoumarins under solvent-free conditions

  • Sudipta Pathak,
  • Kamalesh Debnath and
  • Animesh Pramanik

Beilstein J. Org. Chem. 2013, 9, 2344–2353, doi:10.3762/bjoc.9.269

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  • carrying out the reaction succesfully even with aliphatic amines. The structures of the new products 8a–o were determined by using spectroscopic data and elemental analysis. X-ray crystal data analysis of compound 8c further confirmed the product formation (Figure 1). The formation of products 5a–l was
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Published 04 Nov 2013

Structure elucidation of β-cyclodextrin–xylazine complex by a combination of quantitative 1H–1H ROESY and molecular dynamics studies

  • Syed Mashhood Ali,
  • Kehkeshan Fatma and
  • Snehal Dhokale

Beilstein J. Org. Chem. 2013, 9, 1917–1924, doi:10.3762/bjoc.9.226

Graphical Abstract
  • strength of the crosspeak is proportional to the inverse sixth power of the distance between the interacting nuclei, I 1/r6. However, for quantitative ROESY data analysis, one must understand the consequences of spin diffusion which occurs primarily for large molecules and long mixing times outside the
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Published 23 Sep 2013

Gallium-containing polymer brush film as efficient supported Lewis acid catalyst in a glass microreactor

  • Rajesh Munirathinam,
  • Roberto Ricciardi,
  • Richard J. M. Egberink,
  • Jurriaan Huskens,
  • Michael Holtkamp,
  • Herbert Wormeester,
  • Uwe Karst and
  • Willem Verboom

Beilstein J. Org. Chem. 2013, 9, 1698–1704, doi:10.3762/bjoc.9.194

Graphical Abstract
  • nm, with spectral resolution of about 2 nm both Psi and Delta were recorded as well as the intensity and amount of depolarization of the reflected light. The Complete EASE v.4.64 software package (J.A. Woolam Co., Inc.); was used to both control the instrument as well as for data analysis and
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Published 16 Aug 2013

Tricyclic flavonoids with 1,3-dithiolium substructure

  • Lucian G. Bahrin,
  • Peter G. Jones and
  • Henning Hopf

Beilstein J. Org. Chem. 2012, 8, 1999–2003, doi:10.3762/bjoc.8.226

Graphical Abstract
  • on the magnitude of their coupling constants. Moreover, it is reasonable to assume that the most stable isomer is that with an anti orientation of the two hydrogen atoms (e.g., 6′, Figure 2). The coupling constants and diastereoisomeric ratios of flavonoids 6 are presented in Table 2. Data analysis
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Published 16 Nov 2012

The Amadori rearrangement as glycoconjugation method: Synthesis of non-natural C-glycosyl type glycoconjugates

  • Katharina Gallas,
  • Gerit Pototschnig,
  • Florian Adanitsch,
  • Arnold E. Stütz and
  • Tanja M. Wrodnigg

Beilstein J. Org. Chem. 2012, 8, 1619–1629, doi:10.3762/bjoc.8.185

Graphical Abstract
  • mixture it was obvious that the predominant product was the β-anomer of D-glycero-D-galacto-aldoheptose. This was verified by 1H NMR data analysis, the β-anomer presenting a coupling constant of J1,2 = 7.8 Hz between protons H-1 and H-2. The Amadori rearrangement with dibenzylamine gave 1-(N,N
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Published 25 Sep 2012

An easily accessible sulfated saccharide mimetic inhibits in vitro human tumor cell adhesion and angiogenesis of vascular endothelial cells

  • Grazia Marano,
  • Claas Gronewold,
  • Martin Frank,
  • Anette Merling,
  • Christian Kliem,
  • Sandra Sauer,
  • Manfred Wiessler,
  • Eva Frei and
  • Reinhard Schwartz-Albiez

Beilstein J. Org. Chem. 2012, 8, 787–803, doi:10.3762/bjoc.8.89

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  • by either BGF, 3,4-bis(hydroxymethyl)furan, or methyl β-D-galactopyranoside was observed. In both experiments data analysis by two-way ANOVA showed significance for substance and concentration both with p < 0.001. The extent of inhibition of adhesion to fibronectin by GSF was weaker than to
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Published 29 May 2012

Carbamate derivatives and sesquiterpenoids from the South China Sea gorgonian Melitodes squamata

  • Li-Si Huang,
  • Fei He,
  • Hui Huang,
  • Xiao-Yong Zhang and
  • Shu-Hua Qi

Beilstein J. Org. Chem. 2012, 8, 170–176, doi:10.3762/bjoc.8.18

Graphical Abstract
  • ), 114.5 (C-4), 121.8 (C-6’), 124.0 (C-2’), suggest that the four –NH groups are attached at C-1, C-3, C-1’, C-3’ of two aromatic rings. Based on the above data analysis, the structure of 1 was elucidated to be as shown above and named as obtucarbamate C. Compound 2 also exhibited the molecular formula of
  • amidation position of the two molecules of 4. Based on the 1H NMR, 13C NMR HSQC, HMBC and 1H–1H COSY spectral data analysis, the structure of 2 was elucidated to be as shown above and named as obtucarbamate D. Urea derivatives are closely related in structure to carbamates. Urea is synthesized in the body
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Published 31 Jan 2012

Evaluation of a commercial packed bed flow hydrogenator for reaction screening, optimization, and synthesis

  • Marian C. Bryan,
  • David Wernick,
  • Christopher D. Hein,
  • James V. Petersen,
  • John W. Eschelbach and
  • Elizabeth M. Doherty

Beilstein J. Org. Chem. 2011, 7, 1141–1149, doi:10.3762/bjoc.7.132

Graphical Abstract
  • , depending upon sample concentration. Samples were diluted to 0.04 M when the split method was used, or to 0.004 M when the splitless method was used. Mass data was acquired after a 3.00 min solvent delay, and scan parameters covered the range of 15.0–550.0 amu. Data analysis was performed using Agilent GC
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Published 22 Aug 2011

Accuracy in determining interproton distances using Nuclear Overhauser Effect data from a flexible molecule

  • Catharine R. Jones,
  • Craig P. Butts and
  • Jeremy N. Harvey

Beilstein J. Org. Chem. 2011, 7, 145–150, doi:10.3762/bjoc.7.20

Graphical Abstract
  • rigid strychnine system, which gave mean errors of ~3% in d6-benzene and ~4% in CDCl3 [2][3]. An alternative method of data analysis might assume that the NOE measurements and the DFT conformer structures are accurate, but that the computed free energies (and hence the populations) are not. Thus, one
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Published 01 Feb 2011

Gelation or molecular recognition; is the bis-(α,β-dihydroxy ester)s motif an omnigelator?

  • Peter C. Griffiths,
  • David W. Knight,
  • Ian R. Morgan,
  • Amy Ford,
  • James Brown,
  • Ben Davies,
  • Richard K. Heenan,
  • Stephen M. King,
  • Robert M. Dalgliesh,
  • John Tomkinson,
  • Stuart Prescott,
  • Ralf Schweins and
  • Alison Paul

Beilstein J. Org. Chem. 2010, 6, 1079–1088, doi:10.3762/bjoc.6.123

Graphical Abstract
  • the data analysis to ignore incorporation of a term describing an interaction between the aggregates. Further, one may conclude that the changes in scattering arise from an increase in the number of structures, with perhaps subtle changes in their size or morphology (at least over this range), i.e
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Published 18 Nov 2010

Kinetic studies and predictions on the hydrolysis and aminolysis of esters of 2-S-phosphorylacetates

  • Milena Trmčić and
  • David R. W. Hodgson

Beilstein J. Org. Chem. 2010, 6, 732–741, doi:10.3762/bjoc.6.87

Graphical Abstract
  • hydrochloric acid or hydroxide solutions. Buffer strengths of 0.05, 0.1, 0.2, 0.3 and 0.5 M were used to check for general species-promoted hydrolysis. All aminolysis studies were performed using 0.5 M buffers in the presence of 0.05 M D-glucosamine. Data analysis and kinetic predictions Kinetic data were
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Published 16 Aug 2010

Self-association of an indole based guanidinium-carboxylate-zwitterion: formation of stable dimers in solution and the solid state

  • Carolin Rether,
  • Wilhelm Sicking,
  • Roland Boese and
  • Carsten Schmuck

Beilstein J. Org. Chem. 2010, 6, No. 3, doi:10.3762/bjoc.6.3

Graphical Abstract
  • for a dimerisation (Figure 3). As the binding isotherms show (Figure 4), even at concentrations > 10 mM dimerisation is mostly complete. This suggests very large stability of the dimers even in DMSO. In agreement with this, a quantitative data analysis provided a dimerisation constant Kass > 105 M−1
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Published 14 Jan 2010
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