Crystal Nucleation Kinetics from Induction Times and Metastable Zone Widths

Kulkarni, Samir A.; Kashte, Shivaji; Meekes, Hugo; Stankiewicz, Andrzej; Horst, Joop H. ter

doi:10.1021/cg400139t

Cited by 180 publications

(273 citation statements)

References 15 publications

(39 reference statements)

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“…A common practice to overcome this effect is an incubation of protein crystallization solutions at a temperature significantly higher than the temperature of the solubility limit. However, this would result in a more complicated interpretation of the nucleation events, considering the possible solution processes accompanying cooling to the desired supersaturation and leading to less reproducible nucleation [6], or irreversible lysozyme conformational changes upon heating [20]. Reasonably, the independent crystal growth measurement study (Fig.…”

Section: Probability For Nucleationmentioning

confidence: 99%

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Probabilistic approach to lysozyme crystal nucleation kinetics

2015

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Nucleation of lysozyme crystals in quiescent solutions at a regime of progressive nucleation is investigated under an optical microscope at conditions of constant supersaturation. A method based on the stochastic nature of crystal nucleation and using discrete time sampling of small solution volumes for the presence or absence of detectable crystals is developed. It allows probabilities for crystal detection to be experimentally estimated. One hundred single samplings were used for each probability determination for 18 time intervals and six lysozyme concentrations. Fitting of a particular probability function to experimentally obtained data made possible the direct evaluation of stationary rates for lysozyme crystal nucleation, the time for growth of supernuclei to a detectable size and probability distribution of nucleation times. Obtained stationary nucleation rates were then used for the calculation of other nucleation parameters, such as the kinetic nucleation factor, nucleus size, work for nucleus formation and effective specific surface energy of the nucleus. The experimental method itself is simple and adaptable and can be used for crystal nucleation studies of arbitrary soluble substances with known solubility at particular solution conditions.

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Section: Probability For Nucleationmentioning

confidence: 99%

“…Relevant probabilistic approaches have already been used in nucleation studies of water [2], tin [3], electrocrystallization of mercury [4], amino acids [5], and isonicotinamide [5,6] in stirred solutions.…”

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confidence: 99%

Probabilistic approach to lysozyme crystal nucleation kinetics

2015

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“…In the current study the Crystal16 induction time method is utilised (4,5,6) allowing the probabilistic nature of nucleation events to be properly quantified.…”

Section: Introductionmentioning

confidence: 99%

Revealing the Roles of Desolvation and Molecular Self-Assembly in Crystal Nucleation from Solution: Benzoic and p-Aminobenzoic Acids

Sullivan

Davey

Sadiq

et al. 2014

Crystal Growth & Design

111

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Abstract. There has been much recent interest in the role of solution chemistry and in particular the importance of molecular self-assembly in the nucleation of crystalline phases.Techniques such as FTIR and NMR have highlighted the existence of solution phase dimers which in many cases mirror the structural synthons found in the resulting macroscopic crystals. However there are no reported examples in which this new insight into the solution phase has been linked directly to the kinetics of crystal nucleation. Here for the first time, using a combination of solution FTIR, computational chemistry and measured crystal nucleation rate data, such a link is demonstrated for p-aminobenzoic (PABA) and benzoic acids nucleating from polar and nonpolar solvents. Solute dimerization and desolvation are found to be rate determining processes in the overall nucleation pathway.

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“…It can be seen that this is the nucleation rate and not the growth time because all probability curves intercept the time-axis at around the 20 same point. It thus can be concluded that the crystal nucleation takes place on suspended heterogeneous particles in the solution that can be partially removed by solution filtration [11]. Unfortunately, concentration and surface functionality of these heterogeneous particles are not known.…”

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confidence: 99%

Measuring induction times and crystal nucleation rates

2015

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The Strathprints institutional repository (https://strathprints.strath.ac.uk) is a digital archive of University of Strathclyde research outputs. It has been developed to disseminate open access research outputs, expose data about those outputs, and enable the management and persistent access to Strathclyde's intellectual output. A large variation is observed in induction times measured under equal 5 conditions in 1 ml solutions. Ruling out experimental errors, this variation originates from the nucleation process. The induction time distribution is explained by the stochastic nature of nucleation if the number of nuclei formed is approaching 1 per vial. Accurate heterogeneous crystal nucleation rates were determined from the induction time distributions on a 10 1 ml scale for racemic Diprophylline in two solvents. The difference in nucleation behaviour in the two solvents originates from the energy barrier for nucleation, which is much higher in the solvent in which induction times are much longer. In addition the pre-exponential factor for the crystal nucleation rate in both solvents is rather low compared to predictions using 15 Classical Nucleation Theory. Unfortunately, concentration and surface characteristics of the effective heterogeneous particles are not known which clouds a further molecular interpretation.

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Crystal Nucleation Kinetics from Induction Times and Metastable Zone Widths

Cited by 180 publications

References 15 publications

Probabilistic approach to lysozyme crystal nucleation kinetics

Probabilistic approach to lysozyme crystal nucleation kinetics

Revealing the Roles of Desolvation and Molecular Self-Assembly in Crystal Nucleation from Solution: Benzoic and p-Aminobenzoic Acids

Measuring induction times and crystal nucleation rates

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