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Welcome to the Welch Center for Advanced Bioactive Materials Crystallization. Our mission is to create a meaningful connection between fundamental molecular science and its industrial applications. By enhancing our understanding of how crystals form at the atomic level, we are dedicated to developing safer medicines, cleaner energy solutions, and cutting-edge materials for the next generation. Central to the Welch Center's mission is our goal of elucidating the fundamental mechanisms that govern crystal nucleation and guiding crystallization towards desired structures. We are tackling significant challenges in crystal materials synthesis, such as controlling nucleation rates, predicting the structures of emerging crystals, and selectively influencing transformations between different crystal forms. Through our research, we aim to facilitate a transformative shift in our understanding of crystal nucleation mechanisms and structure selection, leading to advancements that will have a lasting impact across various fields.
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The Welch Center for Advanced Bioactive Materials Crystallization Research at the University of Houston is a world-class facility dedicated to the study of crystal formation mechanisms.
The Welch Center’s mission is to uncover the fundamental mechanisms underlying crystal nucleation and to direct crystallization toward desired structures. The Center addresses major challenges in crystal materials synthesis, including controlling nucleation rates, predicting crystal structures as they form, and steering transformations between different crystal forms. Achieving these goals requires a new conceptual framework for understanding nucleation and structure selection, which the Center pursues through three integrated research aims. Together, these efforts seek to transform how scientists predict and manipulate crystalline materials by uncovering molecular-level insights and applying them to guide nucleation outcomes.
The first aim investigates nonclassical nucleation pathways by systematically studying crystallization precursors and developing methods to control the nucleation of inorganic biominerals and organic pharmaceutical compounds. This work leverages molecular modifiers along with modeling and advanced in situ characterization to illuminate pre-nucleation clusters and growth units. The second aim expands control strategies by using designed nanoparticle templates and polyelectrolyte-based coacervates to create unconventional crystallization environments with unprecedented structure-directing capabilities. The third aim advances predictive models of crystal polymorphism by incorporating nonclassical pathways into theory and simulation, enabling improved forecasting of crystal structure multiplicity and more reliable control of polymorphic transformations. Collectively, these aims establish powerful experimental and theoretical tools for predicting and directing crystal formation with far greater precision than current approaches allow.
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We are at the forefront of systematically investigating nonclassical crystallization precursors. Our primary focus is to develop innovative methodologies for controlling the nucleation of both inorganic compounds, such as biominerals, and organic compounds, like pharmaceuticals. A distinctive feature of our research is the application of molecular modifiers, which we have demonstrated to effectively regulate nucleation. To deepen our understanding of pre-nucleation clusters, the dynamics of complex growth units, and the influence of modifiers, we utilize a range of modeling and characterization techniques, including in situ scattering, optical microscopy, and electron microscopy. This integrated approach enables us to anticipate and control the properties of crystalline materials proactively.
Associated PIs: Dr. Jeffrey D. Rimer, Dr. Peter G. Vekilov, Dr. Jeremy C. Palmer
Keywords: Nonclassical Crystallization, Molecular Modifiers, Molecular Modelling, In-Situ Microscopy of Crystal Growth, Hematin molecule incorporation, Pyrazinamide bent crystal formed in the presence of block sebacic acid, Classical growth of Hematin
We develop methodologies that transcend conventional approaches to adjusting conditions such as temperature, supersaturation, or solvent. Our research involves synthesizing libraries of metal(oxide) nanoparticles, each characterized by distinct facets and functionalized interfaces, which serve as templates to influence the formation and properties of pre-nucleation clusters. Additionally, we create condensed-phase coacervates that leverage gel-like environments within polyelectrolytes to exert precise control over crystal nucleation. These systems provide crystallization environments that are fundamentally different from those employed in traditional syntheses, allowing us to achieve a level of control over crystal structure that is usually beyond the reach of classical methods.
Associated PIs: Dr. T. Randall Lee, Dr. Alamgir Karim, Dr. Francisco C. Robles Hernandez
Keywords: Glycine crystals, Cu₂O-truncated octahedra, Nanoparticle Templates, Condensed-Phase Coacervates, Pre-Nucleation Clusters
We are making substantial progress in enhancing current models that overlook nonclassical pathways. These shortcomings have led to inaccurate predictions of crystal structures and challenges in managing polymorph transformations, which significantly hinder the design and production of advanced crystalline materials. Our innovative methodology enables us to predict crystal structures in advance and control intercrystalline transformations through a synergistic blend of experiments, theoretical insights, and cutting-edge modeling techniques. This comprehensive approach addresses two pivotal challenges in crystal polymorphism: the multiplicity of structures and the dynamics of crystal forms.
Associated PIs: Dr. Peter G. Vekilov, Dr. Gul Zerze
Keywords: Nonclassical growth of Etioporphyrin, Formation of Cholesterol clusters in organic mixture, Predictive Modeling, Polymorph Transformations, Crystal Dynamics
Our external advisory board consists of industry leaders from major pharmaceutical companies.
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The Welch Center is committed to inspiring the next generation of scientists and engineers.
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