References of "Crystal Growth & Design"
     in
Bookmark and Share    
Full Text
Peer Reviewed
See detail(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons
Naik, Anil D; Tinant, Bernard; Léonard, Alexandre ULg et al

in Crystal Growth & Design (2011), 11

Detailed reference viewed: 13 (0 ULg)
Full Text
Peer Reviewed
See detailSuperlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate
Dirtu, Marinela M; Neuhausen, Christine; Naik, Anil D et al

in Crystal Growth & Design (2011), 11

Detailed reference viewed: 12 (0 ULg)
Full Text
Peer Reviewed
See detailCzochralski crystal growth, thermal conductivity, and magnetic properties of Pr(x)La(1- x)AlO3, where x = 1, 0.75, 0.55, 0.40, 0
Turczynski, S.; Orlinski, K.; Pawlak, D. A. et al

in Crystal Growth & Design (2011), 11(4), 1091-1097

Crystals of Pr(x)La(1-x)AlO3 solid solution have been grown by the Czochralski method for the first time, to the best of our knowledge. Crystals with high praseodymium concentration tend to grow spirally ... [more ▼]

Crystals of Pr(x)La(1-x)AlO3 solid solution have been grown by the Czochralski method for the first time, to the best of our knowledge. Crystals with high praseodymium concentration tend to grow spirally. The color of the crystals changes with chemical composition. X-ray diffraction shows an increase of the lattice constants with an increase in lanthanum ion concentration. The thermal conductivity has been investigated in the temperature range from 5 to 300 K. Completely different behavior of thermal conductivity is observed at low temperatures for the investigated crystals, whereas it remains roughly constant at high temperatures. The values of magnetic susceptibility lie within the expected range that could be expected for a paramagnetic material. (Figure Presented) © 2011 American Chemical Society. [less ▲]

Detailed reference viewed: 31 (6 ULg)
Full Text
Peer Reviewed
See detailEngineering three-dimensional chains of porous nanoballs from a 1,2,4-triazole-carboxylate supramolecular synthon
Naik, A. D.; Dǐrtu, M. M.; Léonard, Alexandre ULg et al

in Crystal Growth & Design (2010), 10(4), 1798-1807

Glycine ethyl ester was recruited in an amine exchange process based on a transamination to afford ethyl 4H-1,2,4-triazol-4-yl-acetate (L1). The acid hydrolysis of this molecule leads to quantitative ... [more ▼]

Glycine ethyl ester was recruited in an amine exchange process based on a transamination to afford ethyl 4H-1,2,4-triazol-4-yl-acetate (L1). The acid hydrolysis of this molecule leads to quantitative isolation of 4H-1,2,4-triazol-4-yl acetic acid (L2). This versatile synthon crystallizes in a noncentrosymmetric orthorhombic space group (Fdd2) with Z = 16. This crystal structure is the first one for a 1,2,4-triazole ligand constructed from an amino acid derivative. The strong intermolecular hydrogen bonding O-HN (2.570(3)Å) connects molecules into infinite one-dimensional chains running parallel to the b axis, and the structure is further extended by numerous but moderate strength hydrogen bonds (C-HO). Prominent features of L2 are the presence of diverse potential coordinating groups such as carboxylic acid and triazole on the same framework as well as the inherent flexibility of the ligand backbone. Reaction of L1 or L2 with aq. Cu(BF 4) 2 in aq. DMF gives dark blue crystals which crystallize in a noncentrosymmetric, cubic space group (I4̌3m) and which were formulated as [Cu 3(μ 3-O)(L2) 3(H 2O) 3]BF 4H 2O (C1). The self-assembly of C 3-symmetric, μ 3-oxo bridged triangular tricopper secondary building blocks (SBB) formed an unique architecture which encompasses voluminous nanoball voids of 1 nm. The total solvent accessible volume is 4477.5 Å 3 which accounts for 48% of the cell volume. The crystal network stability was studied by thermogravimetric analysis (TGA)'differential thermal analysis (DTA) and scanning electron microscopy (SEM) analyses. Sorption properties and gas storage capacities were measured by BET. C1 shows no preference for N 2(g), but a reversible H 2(g) uptake of 21 cm 3/g was observed. Morphology analysis by SEM on single crystals of C1 shows "ultrawellś of square shape irregularly located on the surface, whose origin is due to desolvation or crystal defects. Mercury porosimetry measurements reveal pore size distribution with a diameter ranging from 350 nm to 2.3 μm © 2010 American Chemical Society. [less ▲]

Detailed reference viewed: 11 (0 ULg)
Full Text
Peer Reviewed
See detailKinetics and Thermodynamics of Glucose Isomerase Crystallization
Sleutel, Mike; Willaert, Ronnie; Gillespie, Christopher et al

in Crystal Growth & Design (2009), 9

A quantitative study using laser confocal microscopy combined with differential interference microscopy on the kinetics and thermodynamics of the crystallization of glucose isomerase is presented ... [more ▼]

A quantitative study using laser confocal microscopy combined with differential interference microscopy on the kinetics and thermodynamics of the crystallization of glucose isomerase is presented. Fundamental crystallization parameters are determined from the kinetics of step advancement and rates of two-dimensional (2D) nucleation. The ruling mass transfer pathway and accompanying activation barriers are discussed. In brief, the solubility exhibits normal temperature dependence and the crystallization enthalpy is the thermodynamic driving force. The diminishing entropic cost for higher PEG concentrations is attributed to water structuring and a decrease in water activity. The prominent step generation mechanism is homogeneous 2D nucleation for high supersaturations. At low driving forces 2D nucleation occurs on anomalously hyperactive sites and the step edge free energies for homogeneous and heterogeneous nucleation are determined. The number of nucleation centers for both mechanisms are estimated and from the density of nucleation centers we obtain for the activation barrier of adsorption ∼3.8 kJ mol-1. No step-step interaction is observed for interstep distances >70 nm. Theoretical fits of step velocity data suggest surface diffusion makes a non-negligible contribution to surface kinetics. From the temperature dependence of the step kinetic coefficient the activation barrier for crystallization was determined to be <22.4 kJ mol-1. [less ▲]

Detailed reference viewed: 92 (12 ULg)
Full Text
Peer Reviewed
See detailToward a Definition of X-ray Crystal Quality
Maes, Dominique; Evrard, Christine ULg; Gavira, Jose et al

in Crystal Growth & Design (2008), 8(12), 4284-4290

Crystal X-ray quality is usually evaluated by looking at data quality parameters such as (relative) Wilson B-factor, resolution, R-factors, signal-to-noise ratio, and others. As these parameters are ... [more ▼]

Crystal X-ray quality is usually evaluated by looking at data quality parameters such as (relative) Wilson B-factor, resolution, R-factors, signal-to-noise ratio, and others. As these parameters are correlated, most studies focus on one or two of them. As part of a study of the effects of microgravity on X-ray quality, full data sets of 35 ferritin crystals (17 PromISS-4 “space” crystals and 18 from the ground control) were collected. Sixty-three parameters commonly used as indicative of X-ray data quality taken from the output of the processing, scaling, and merging software packages were analyzed. This highly dimensional “quality parameter dataset” was reduced using a principal component analysis. About 78% of the variability in the data set could be explained with the first four principal components. A score-plot in this four-dimensional space clearly showed two tendencies, one for the crystals grown in space and one for the ground crystals. The differences between the two groups are observed irrespective of the software package. They can be attributed to the first principal component and reflect the superior quality of the space crystals. [less ▲]

Detailed reference viewed: 27 (13 ULg)
Full Text
Peer Reviewed
See detailTIM crystals grown by capillary counterdiffusion: Statistical evidence of quality improvement in microgravity
Evrard, Christine ULg; Maes, D.; Zegers, I. et al

in Crystal Growth & Design (2007), 7(11), 2161-2166

The capillary counterdiffusion method is a very efficient crystallization technique for obtaining high-quality protein crystals. This technique requires a convection-free environment, which can be ... [more ▼]

The capillary counterdiffusion method is a very efficient crystallization technique for obtaining high-quality protein crystals. This technique requires a convection-free environment, which can be achieved using either gelled solutions, very thin capillaries, or microgravity conditions. To study the influence of a convection-free environment on protein crystal quality and to evaluate two different experimental implementations to achieve it, we have made a comparative analysis of crystals grown by capillary counterdiffusion in agarose, a convective-free environment on Earth, and crystals grown in microgravity at the International Space Station. Thermotoga maritima triose phosphate isomerase (TIM) was chosen as a model for this study. The statistical analysis reveals a significant improvement for the crystals grown in microgravity in terms of their R-merge, B-value, and mosaicity, but the statistical evidence is insufficient to show a similar benefit for the resolution and mean intensity parameters. These results are quite surprising because it is known that, unlike gels, the noisy microgravity scenario offered by the ISS cannot sustain a convection-free environment on the time scale of days required for protein crystallization experiments. [less ▲]

Detailed reference viewed: 48 (13 ULg)