title: Structural Correspondence of the Oriented Attachment Growth Mechanism of Crystals of the Pharmaceutical Dirithromycin.
abstract: The oriented attachment (OA) mechanism is promising for designing novel nanomaterials, yet an intensive understanding of the relationship between the crystal structure and attachment orientation is still lacking. In this work, we report layered hexagonal crystals of the pharmaceutical dirithromycin (DIR) containing multiple layers fabricated via a solvothermal method for a certain period of time at 40 °C. These elongated hexagonal crystals experience an OA that is preferentially on the face (001) of the initial crystals to assemble the final crystals into layered stacks. Through agreement with molecular modeling calculations, we predicted the final crystal growth morphology and confirmed the favored attachment surface based on the energy change ΔE following an OA event. These simulation results at the molecular level yielded good agreement with the crystal growth experiments. This study demonstrates the critical importance of combining experiments with a computational approach to understand the intrinsic molecular details of the OA growth mechanism of other compounds and to design nanomaterials with a desirable morphology and physical and chemical properties.
authors.affiliation: State Key Laboratory of Organic-Inorganic Composites, ‡Research Center of the Ministry of Education for High Gravity Engineering and Technology, and §Biomass Energy and Environmental Engineering Research Center, Beijing University of Chemical Technology , Beijing 100029, China.
authors.forename: Zuozhong
authors.initials: Z
authors.lastname: Liang
authors.affiliation: State Key Laboratory of Organic-Inorganic Composites, ‡Research Center of the Ministry of Education for High Gravity Engineering and Technology, and §Biomass Energy and Environmental Engineering Research Center, Beijing University of Chemical Technology , Beijing 100029, China.
authors.forename: Yuan
authors.initials: Y
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Organic-Inorganic Composites, ‡Research Center of the Ministry of Education for High Gravity Engineering and Technology, and §Biomass Energy and Environmental Engineering Research Center, Beijing University of Chemical Technology , Beijing 100029, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Organic-Inorganic Composites, ‡Research Center of the Ministry of Education for High Gravity Engineering and Technology, and §Biomass Energy and Environmental Engineering Research Center, Beijing University of Chemical Technology , Beijing 100029, China.
authors.forename: Xianglong
authors.initials: X
authors.lastname: Han
authors.affiliation: State Key Laboratory of Organic-Inorganic Composites, ‡Research Center of the Ministry of Education for High Gravity Engineering and Technology, and §Biomass Energy and Environmental Engineering Research Center, Beijing University of Chemical Technology , Beijing 100029, China.
authors.forename: Jian-Feng
authors.initials: JF
authors.lastname: Chen
authors.affiliation: State Key Laboratory of Organic-Inorganic Composites, ‡Research Center of the Ministry of Education for High Gravity Engineering and Technology, and §Biomass Energy and Environmental Engineering Research Center, Beijing University of Chemical Technology , Beijing 100029, China.
authors.forename: Chunyu
authors.initials: C
authors.lastname: Xue
authors.affiliation: State Key Laboratory of Organic-Inorganic Composites, ‡Research Center of the Ministry of Education for High Gravity Engineering and Technology, and §Biomass Energy and Environmental Engineering Research Center, Beijing University of Chemical Technology , Beijing 100029, China.
authors.forename: Hong
authors.initials: H
authors.lastname: Zhao
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry; D003460:Crystallization; D004917:Erythromycin / Q000031:analogs & derivatives* / Q000737:chemistry; D008958:Models, Molecular; D056004:Molecular Dynamics Simulation; D014961:X-Ray Diffraction
chemical_list: D000900:Anti-Bacterial Agents; C053853:dirithromycin; D004917:Erythromycin