We evaluated the crystallization of calcium oxalate (CaOx) in undiluted urine, collected 3 hours after intake of a test meal by healthy males. In two experiments in vitro, either the total citrate concentration was increased (urine A) or the pH was elevated (urine B). In addition, in three clinical trials, the bioequivalence of orally taken potassium citrate (PC) and potassium-sodium citrate (P...

When crystallization screening is conducted many outcomes are observed but typically the only trial recorded in the literature is the condition that yielded the crystal(s) used for subsequent diffraction studies. The initial hit that was optimized and the results of all the other trials are lost. These missing results contain information that would be useful for an improved general understandin...

INTRODUCTION Crystallization of actives in skin following topical application was suggested by studies in the 1950s and 1960s but is poorly understood. In contrast, the problem of crystallization of actives on skin and in transdermal formulations has been known for many years. AREAS COVERED With respect to crystallization in skin, this review describes early reports of a skin 'reservoir' and ...

The failure of multi-step experimental procedures to yield diffraction-quality crystals is a major bottleneck in protein structure determination. Accordingly, several bioinformatics methods have been successfully developed and employed to select crystallizable proteins. Unfortunately, the majority of existing in silico methods only allow the prediction of crystallization propensity, seldom enab...

The presence of a metastable fluid-fluid critical point is thought to dramatically influence the crystallization pathway, increasing the nucleation rate by many orders of magnitude over the predictions of classical nucleation theory. We use molecular dynamics simulations to study the kinetics of crystallization in the vicinity of this metastable critical point and throughout the metastable flui...

With continuous technical improvements at synchrotron facilities, data-collection rates have increased dramatically. This makes it possible to collect diffraction data for hundreds of protein-ligand complexes within a day, provided that a suitable crystal system is at hand. However, developing a suitable crystal system can prove challenging, exceeding the timescale of data collection by several...

This paper describes issues related to integrating image analysis techniques into case-based reasoning. Although the approach is generic, a high-throughput protein crystallization problem is used as an example. Our solution to the crystallization problem is to store outcomes of experiments as images, extract important image features, and use them to automatically recognize different crystalliza...

The ability of the rapid-capacitive discharge approach to access optimal viscosity ranges in metallic glasses for thermoplastic processing is explored. Using high-speed thermal imaging, the heating uniformity and stability against crystallization of Zr35Ti30Cu7.5Be27.5 metallic glass heated deeply into the supercooled region is investigated. The method enables homogeneous volumetric heating of ...

Crown ether complexation solubilizes organic and inorganic salts in nonpolar media. Induction of crystallization from such solutions can result in crystallization of the free salt rather than the complex. This affords the opportunity to examine solvent effects on the crystallization of salts and other polar materials, leading to the modification of crystal shape and lattice. This approach, whic...

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior kno...