Search results for "DIIS"
showing 10 items of 135 documents
CCDC 1581592: Experimental Crystal Structure Determination
2018
Related Article: Jamie Hicks, Petra Vasko, Jose M. Goicoechea, Simon Aldridge|2018|Nature (London)|557|92|doi:10.1038/s41586-018-0037-y
CCDC 711624: Experimental Crystal Structure Determination
2011
Related Article: J.Bares, V.Sourek, Z.Padelkova, P.Meunier, N.Pirio, I.Cisarova, A.Ruzicka, J.Holecek|2010|Collect.Czech.Chem.Commun.|75|121|doi:10.1135/cccc2009093
CCDC 886627: Experimental Crystal Structure Determination
2013
Related Article: E.Digard, J.Andrieu, H.Cattey|2012|Inorg.Chem.Commun.|25|39|doi:10.1016/j.inoche.2012.08.001
CCDC 1042611: Experimental Crystal Structure Determination
2015
Related Article: Tania Romero-Morcillo, Noelia De la Pinta, Lorena M. Callejo, Lucía Piñeiro-López, M. Carmen Muñoz, Gotzon Madariaga, Sacramento Ferrer, Tomasz Breczewski, Roberto Cortés, José A. Real|2015|Chem.-Eur.J.|21|12112|doi:10.1002/chem.201500310
CCDC 1042615: Experimental Crystal Structure Determination
2015
Related Article: Tania Romero-Morcillo, Noelia De la Pinta, Lorena M. Callejo, Lucía Piñeiro-López, M. Carmen Muñoz, Gotzon Madariaga, Sacramento Ferrer, Tomasz Breczewski, Roberto Cortés, José A. Real|2015|Chem.-Eur.J.|21|12112|doi:10.1002/chem.201500310
CCDC 1042614: Experimental Crystal Structure Determination
2015
Related Article: Tania Romero-Morcillo, Noelia De la Pinta, Lorena M. Callejo, Lucía Piñeiro-López, M. Carmen Muñoz, Gotzon Madariaga, Sacramento Ferrer, Tomasz Breczewski, Roberto Cortés, José A. Real|2015|Chem.-Eur.J.|21|12112|doi:10.1002/chem.201500310
Cell adhesion on UV-crosslinked polyurethane gels with adjustable mechanical strength and thermoresponsiveness
2021
Temperature-responsive polyurethane (PU) hydrogels represent a versatile material platform for modern tissue engineering and biomedical applications. However, besides intrinsic advantages such as high mechanical strength and a hydrolysable backbone composition, plain PU materials are generally lacking bio-adhesive properties. To overcome this shortcoming, the authors focus on the synthesis of thermoresponsive PU hydrogels with variable mechanical and cell adhesive properties obtained from linear precursor PUs based on poly(ethylene glycol)s (pEG) with different molar masses, isophorone diisocyanate, and a dimerizable dimethylmaleimide (DMMI)-diol. The cloud point temperatures of the dilute,…
Isobaric Vapor−Liquid Equilibria for Binary and Ternary Mixtures of Diisopropyl Ether, 2-Propyl Alcohol, and n-Butyl Propionate at 101.3 kPa
2009
Consistent vapor−liquid equilibrium data at 101.3 kPa have been determined for the ternary system diisopropyl ether (1) + 2-propyl alcohol (2) + n-butyl propionate (3) and two constituent binary systems: diisopropyl ether (1) + n-butyl propionate (3) and 2-propyl alcohol (2) + n-butyl propionate (3). The diisopropyl ether (1) + n-butyl propionate (3) system does not present deviation from ideal behavior, and the 2-propyl alcohol (2) + n-butyl propionate (3) system shows light positive deviation from Raoult’s law. The activity coefficients of the solutions were correlated with their compositions by the Wilson, NRTL, and UNIQUAC models. Wisniak−Tamir equations were used to correlate the boili…
Transparent thermoplastic polyurethanes based on aliphatic diisocyanates and polycarbonate diol
2016
Segmented thermoplastic polyurethanes (PUs) were synthetized using polycarbonate diol as soft segment with a molar mass of 500 and as a hard segment 1,5-pentanediol with a combination of isophorone diisocyanate (IPDI) and hexamethylene diisocyanate (HDI). Differential scanning calorimetry, differential mechanical analysis, Fourier transform infrared-attenuated total reflection spectroscopy, haze, transmittance, hardness, tensile properties and retention of tensile properties tests were employed to characterize the different PUs. The results of this study show that IPDI/HDI relation has a significant impact on the phase mixing, crystallinity and therefore on the PU’s properties. The variati…
Synthesis of azamacrocycles via a Mitsunobu reaction
2005
Reaction of pernosylated diethylenetriamine and 2-substituted propane-1,3-diols in dry THF in the presence of triphenylphosphine and diisopropyl azodicarboxylate gives the corresponding protected 9-substituted 1,4,7-triazacyclodecanes. The Mitsunobu reaction was also used in the preparation of 3-substituted 1,5,9-triazacyclododecanes and macrocyclic pyridine derivatives.