Prediction of the Mechanical Behaviour of Crystalline Solids

Shariare, Mohammad Hossain; Leusen, Frank J. J.; Matas, Marcel de; York, Peter; Anwar, Jamshed

doi:10.1007/s11095-011-0543-1

Cited by 38 publications

(62 citation statements)

References 29 publications

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“…Since these measurements are influenced by surface properties, the obtained results have to be supported with complementary techniques such as high-pressure diffraction (40)(41)(42)(43) or simulation approaches based on determination of crystal interplanar d-spacings, attachment or surface energy (44)(45)(46)(47).…”

Section: How Can Mechanical Particles Be Determined In Practice?mentioning

confidence: 99%

“…Plastic deformation due to twinning occurs in crystals with low symmetry and few slip systems or when plastic deformation is obstructed due to unfavorable alignment or under high loads. Unlike slip, twinning deformation is homogenous over the entire crystal lattice and is not restricted to multiples of the lattice parameter (45,46,50,58,(92)(93)(94)(95). Compounds with a disordered, corrugated layered structure do not show shearing; they bend or break under applied mechanical stress.…”

Section: Mechanical Properties Of Molecular Crystalsmentioning

confidence: 99%

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Application of instrumented nanoindentation in preformulation studies of pharmaceutical active ingredients and excipients

2016

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Application of instrumented nanoindentation in preformulation studies of pharmaceutical active ingredients and excipients # Nanoindentation allows quantitative determination of a material's response to stress such as elastic and plastic deformation or fracture tendency. Key instruments that have enabled great advances in nanomechanical studies are the instrumented nanoindenter and atomic force microscopy. The versatility of these instruments lies in their capability to measure local mechanical response, in very small volumes and depths, while monitoring time, displacement and force with high accuracy and precision. This review highlights the application of nanoindentation for mechanical characterization of pharmaceutical materials in the preformulation phase (primary investigation of crystalline active ingredients and excipients). With nanoindentation, mechanical response can be assessed with respect to crystal structure. The technique is valuable for mechanical screening of a material at an early development phase in order to predict and better control the processes in which a material is exposed to stress such as milling and compression.

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Section: How Can Mechanical Particles Be Determined In Practice?mentioning

confidence: 99%

Section: Mechanical Properties Of Molecular Crystalsmentioning

confidence: 99%

Application of instrumented nanoindentation in preformulation studies of pharmaceutical active ingredients and excipients

2016

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“…Shariare et al [102]. discuss some of the basic predictive approaches for the estimation of mechanical properties of APIs, namely those based on interplanar d‐spacing, on the calculation of elastic constants and on attachment energies.…”

Section: The Link Among Solid Form Particle Engineering and Particlementioning

confidence: 99%

“…While much emphasis has been placed on the role of crystal shape, primarily because of the emergence of improved modelling tools that have enabled prediction and rationalisation of observed behaviour to a level of accuracy hitherto unattainable, the importance of additional particle properties that are controlled during crystallisation and other particle engineering operations is also known and well documented. For example, the fracture mechanism of any material is known to change below a critical particle size that is compound dependent and is known as the critical brittle–ductile transition point [102]. Additionally, Shariare et al [102].…”

Section: The Link Among Solid Form Particle Engineering and Particlementioning

confidence: 99%

Integration of active pharmaceutical ingredient solid form selection and particle engineering into drug product design

Ticehurst

Marziano

2015

Journal of Pharmacy and Pharmacology

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This review seeks to offer a broad perspective that encompasses an understanding of the drug product attributes affected by active pharmaceutical ingredient (API) physical properties, their link to solid form selection and the role of particle engineering. While the crucial role of active pharmaceutical ingredient (API) solid form selection is universally acknowledged in the pharmaceutical industry, the value of increasing effort to understanding the link between solid form, API physical properties and drug product formulation and manufacture is now also being recognised.A truly holistic strategy for drug product development should focus on connecting solid form selection, particle engineering and formulation design to both exploit opportunities to access simpler manufacturing operations and prevent failures. Modelling and predictive tools that assist in establishing these links early in product development are discussed. In addition, the potential for differences between the ingoing API physical properties and those in the final product caused by drug product processing is considered. The focus of this review is on oral solid dosage forms and dry powder inhaler products for lung delivery.

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“…[12][13][14][15] Due to the concomitant presence of amide and imine functions, NAH compounds may exist as C]N double-bond stereoisomers (E/Z) and as syn/anti-periplanar conformers about the amide CO-NH bond. 18 It is well known that the crystal habit as well as a noncrystalline amorphous form may affect the drug stability, dissolution rate, ow and mechanical properties, bioavailability, and their ability to mix with excipients. For this reason, in this work, different techniques as well as an in silico study were used to better understand the conformational and congurational aspects of the LASSBio-1601 compound.…”

Section: Introductionmentioning

confidence: 99%

Structural feature evolution – from fluids to the solid phase – and crystal morphology study of LASSBio 1601: a cyclohexyl-N-acylhydrazone derivative

Costa

Silva

et al. 2015

RSC Adv.

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LASSBio-1601, a cyclohexyl-N-acylhydrazone derivative, was synthesized as part of a research program to develop a series of anti-inflammatory and analgesic compounds. A complete knowledge of the structure, including stereochemistry, is essential to lead optimization in drug discovery. In this work different techniques were used to obtain detailed information on the evolution of the structural characteristics of this compound from fluids to the solid state, in order to shed some light on the conformation of the molecule in different physical states. By quoting the aforementioned structural analysis, a crystal morphology prediction, compared with the experimentally inferred SEM images, has been performed to analyze potentially alternative routes useful for pharmaceutical tableting.

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Prediction of the Mechanical Behaviour of Crystalline Solids

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Cited by 38 publications

References 29 publications

Application of instrumented nanoindentation in preformulation studies of pharmaceutical active ingredients and excipients

Application of instrumented nanoindentation in preformulation studies of pharmaceutical active ingredients and excipients

Integration of active pharmaceutical ingredient solid form selection and particle engineering into drug product design

Structural feature evolution – from fluids to the solid phase – and crystal morphology study of LASSBio 1601: a cyclohexyl-N-acylhydrazone derivative

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