First bisphosphonate hydrogelators: potential composers of biocompatible gels

Recently, investigation of hydrogels has gained ever increasing attention mostly because of their biomedical and pharmaceutical properties, and novel hydrogelators are constantly studied to find functional applications. Bisphosphonates (BPs) are well-known compounds applicable in different fields but are mostly used in clinics as drugs for bone-related diseases. In this study, a novel class of BP-hydrogelators together with a BP-organogelator was found, and the gelating abilities of the compounds were studied. Several techniques to analyze the structure and the properties of the formed gels were used, including solid state 13C and 31P CPMAS and solution state NMR spectroscopy, IR spectrosco…

Complete Spectral Analysis of the1H NMR 16-Spin System of β-Pinene

The complete analysis of the 1H NMR spectrum of β-pinene, (1S)-(-)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane, which is of the ABCDEFGHIJX3Y3 type, is reported and earlier results are corrected. The vicinal coupling constants, 3J(H,H), are compared with the theoretical values calculated by using the Altona and co-workers’ equations for the structure derived by molecular modelling. The results were applied to the conformational analysis of β-pinene. © 1997 John Wiley & Sons, Ltd.

A novel bisphosphonate-based solid phase method for effective removal of chromium(iii) from aqueous solutions and tannery effluents

Effective removal of chromium(III) from waste waters e.g. in the leather industry is required due to continuously tightening environmental regulations, and several methods such as precipitation and adsorption are currently in use. Nevertheless, more efficient, straightforward and inexpensive methods are constantly being sought. The current study describes a novel method to separate chromium(III) from aqueous solutions based on the use of solid bisphosphonates with a P–C–P backbone. Five classes of bisphosphonates with different functional groups and alkyl chain lengths at the center carbon, in all 16 compounds, were prepared and their suitability for metal ion complexing as chelating agents…

Systematic study of physicochemical properties of a homologous series of aminobisphosphonates

Aminobisphosphonates, e.g., alendronate and neridronate, are a well known class of molecules used as drugs for various bone diseases. Although these molecules have been available for decades, a detailed understanding of their most important physicochemical properties under comparable conditions is lacking. In this study, ten aminobisphosphonates, H2N(CH2)nC(OH)[P(O)(OH)2]2, in which n = 2–5, 7–11 and 15 have been synthesized. Their aqueous solubility as a function of temperature and pH, pKa-values, thermal stability, IR absorptions, and NMR spectral data for bothliquid (1H, 13C, 31P-NMR) and solid state (13C, 15N and 31P-CPMAS NMR) were determined. peerReviewed

Systematic study of the physicochemical properties of a homologous series of aminobisphosphonates

ABSTRACT: Aminobisphosphonates, e.g., alendronate and neridronate, are a well known class of molecules used as drugs for various bone diseases. Although these molecules have been available for decades, a detailed understanding of their most important physicochemical properties under comparable conditions is lacking. In this study, ten aminobisphosphonates, H2N(CH2)nC(OH)[P(O)(OH)2]2, in which n = 2-5, 7-11 and 15 have been synthesized. Their aqueous solubility as a function of temperature and pH, pKa-values, thermal stability, IR absorptions, and NMR spectral data for both liquid (1H, 13C, 31P-NMR) and solid state (13C, 15N and 31P-CPMAS NMR) were determined. Peer reviewed

Powder structures of two pharmaceutically interesting alkylaminobisphosphonates

Timolol derivatives. I. X-ray, NMR and theoretical studies of the crystallization of (S)-timolol O,O-diacetyl-l-tartaric acid monoester

Abstract The absolute configurations of (S)-timolol hemihydrate and (S)-timolol O,O-diacetyl-(R,R)-tartaric acid monoester were determined by single crystal X-ray diffraction. An NMR analysis based on the temperature dependence of vicinal coupling constants was carried out to characterize the conformational behaviour of the S,R,R- and R,R,R-forms in solution. The same conformation as in crystalline state was also found in solution, although with a rather low preference over some other conformations. Results of theoretical calculations using MNDO and AMBER force field methods are reported. An infinite chain of hydrogen bonds, along with other favourable inter- and intramolecular forces that …