Deciphering the mechanism of γ-cyclodextrin’s hydrophobic cavity hydration: an integrated experimental and theoretical study

• Stiliyana Pereva,
• Stefan Dobrev,
• Tsveta Sarafska,
• Valya Nikolova,
• Silvia Angelova,
• Tony Spassov and
• Todor Dudev

Beilstein J. Org. Chem. 2024, 20, 2635–2643, doi:10.3762/bjoc.20.221

• of interactions (i.e., water–water and/or water–CD walls) contribute to the stability of the water assemble; (iv) how does the mechanism of the γ-CD hydration compare with those of its α-CD and β-CD counterparts. Keywords: cyclodextrin; DFT calculation; DSC/TG; hydration; thermodynamic

Water inside β-cyclodextrin cavity: amount, stability and mechanism of binding

• Stiliyana Pereva,
• Valya Nikolova,
• Silvia Angelova,
• Tony Spassov and
• Todor Dudev

Beilstein J. Org. Chem. 2019, 15, 1592–1600, doi:10.3762/bjoc.15.163

• thermodynamic characteristics of β-CD hydration compare with those of its smaller α-cyclodextrin (α-CD) counterpart? In this study, we address these questions by employing a combination of experimental (DSC/TG) and theoretical (DFT) approaches. Keywords: β-cyclodextrin; DFT calculations; DSC/TG experiments

• smaller α-CD counterpart? In this study, we endeavor to address these questions by employing a combination of experimental (DSC/TG) and theoretical approaches (DFT). Our findings illuminate the mechanism of β-CD hydration at an atomic level and disclose the major factors controlling this process. A

Amino-functionalized (meth)acryl polymers by use of a solvent-polarity sensitive protecting group (Br-t-BOC)

• Helmut Ritter,
• Monir Tabatabai and
• Markus Herrmann

Beilstein J. Org. Chem. 2016, 12, 245–252, doi:10.3762/bjoc.12.26

• solid: yield 0.28 g (80%). 1H NMR (300 MHz, CDCl3) δ [ppm] 6.04–5.45 (m, 1H), 4.33–3.97 (m, 2H), 3.90–3.60 (m, 2H), 3.55–3.24 (m, 2H), 2.53–2.12 (m, 1H), 2.09–1.66 (m, 2H), 1.61–1.54 (m, 6H); IR (diamond) [cm−1]: 3359 (m, νN-H), 2955 (m, νC-H), 2930 (m, νC-H), 1698 (w, νC=O), 1516 (s, νN-H); DSC: Tg

• (s, νC-H (R-CH3)); DSC: Tg = 125.9 °C; GPC (THF): = 8900 g/mol, = 6000 g/mol, D = 1.48. Schematic representation of a deprotection taking the relatively high polarity of the transition state and the solvent polarity into account: high activation energy in nonpolar solvents and low activation energy

N-Alkylated dinitrones from isosorbide as cross-linkers for unsaturated bio-based polyesters

• Oliver Goerz and
• Helmut Ritter

Beilstein J. Org. Chem. 2014, 10, 902–909, doi:10.3762/bjoc.10.88

• (diamond) (cm−1): 2977, 2935, 2877 (ν, -CH2), 1729 (ν, C=O), 1639 (ν, C=C), 1151 (ν, C-O); GPC (THF): = 3452; D = 1.69; DSC: Tg = 64 °C. 1H NMR spectra of 3a (300 MHz, DMSO-d6). Oscillation measurements during thermal cross-linking of unsaturated polyester 13 with dinitrones 10a and 10b at 120 °C