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

• , 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

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

• 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

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

• 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

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

• 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

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

• 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