Pharmaceutical formulation

Pharmaceutical formulation, in pharmaceutics, is the process in which different chemical substances, including the active drug, are combined to produce a final medicinal product. The word formulation is often used in a way that includes dosage form. Stages and timeline Formulation studies involve developing a preparation of the drug which is both stable and acceptable to the patients. For orally administered drugs, this usually involves incorporating the drug into a tablet or a capsule. It is important to make the distinction that a tablet contains a variety of other potentially inert substances apart from the drug itself, and studies have to be carried out to ensure that the encapsulated drug is compatible with these other substances in a way that does not cause harm, whether direct or indirect. Preformulation involves the characterization of a drug's physical, chemical, and mechanical properties in order to choose what other ingredients (excipients) should be used in the p

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Nanostructure of Materials Determined by Relayed Paramagnetic Relaxation Enhancement

David Lyndon Emsley, Judith Schlagnitweit

Particle and domain sizes strongly influence the properties of materials. Here we present an NMR approach based on paramagnetic relaxation enhancement (PRE) relayed by spin diffusion (SD), which allows us to determine lengths in the nm pm range. We demonstrate the method on multicomponent organic polymer mixtures by selectively doping one component with a paramagnetic center in order to measure the domain size in a second component. Using this approach we determine domain sizes in ethyl cellulose/hydroxypropyl cellulose film coatings in pharmaceutical controlled release formulations. Here we measure particle sizes ranging from around 50 to 200 nm.

Amer Chemical Soc2015

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A Light Formulation of the E* Interpolated Path Replanner

Roland Philippsen

The E* algorithm is a path planning method capable of dynamic replanning and user-configurable path cost interpolation, it results in more appropriate paths during gradient descent. The underlying formulation is based on interpreting navigation functions as a sampled continuous crossing-time map that takes into account a risk measure. Replanning means that changes in the environment model can be repaired to avoid the expenses of complete planning. This helps compensating for the increased computational effort required for interpolation.

2006

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Structure determination of an amorphous drug through large-scale NMR predictions

Martins Balodis, Pierrick Berruyer, Manuel Cordova, David Lyndon Emsley, Albert Hofstetter, Federico Maria Paruzzo, Bruno Simões de Almeida

Knowledge of the structure of amorphous solids can direct, for example, the optimization of pharmaceutical formulations, but atomic-level structure determination in amorphous molecular solids has so far not been possible. Solid-state nuclear magnetic resonance (NMR) is among the most popular methods to characterize amorphous materials, and molecular dynamics (MD) simulations can help describe the structure of disordered materials. However, directly relating MD to NMR experiments in molecular solids has been out of reach until now because of the large size of these simulations. Here, using a machine learning model of chemical shifts, we determine the atomic-level structure of the hydrated amorphous drug AZD5718 by combining dynamic nuclear polarization-enhanced solid-state NMR experiments with predicted chemical shifts for MD simulations of large systems. From these amorphous structures we then identify H-bonding motifs and relate them to local intermolecular complex formation energies. Determining the structure of amorphous solids is important for optimization of pharmaceutical formulations, but direct relation of molecular dynamics (MD) simulations and NMR to achieve this is challenging. Here, the authors use a machine learning model of chemical shifts to solve the atomic-level structure of the hydrated amorphous drug AZD5718 by combining dynamic nuclear polarization-enhanced solid-state NMR with predicted shifts for MD simulations of large systems.

NATURE RESEARCH2021

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Médicament

vignette|Boîtes de médicaments vignette|Ampoules Un médicament est toute substance ou composition présentée comme possédant des propriétés curatives ou préventives à l'égard des maladies humaines ou

Drug development

Drug development is the process of bringing a new pharmaceutical drug to the market once a lead compound has been identified through the process of drug discovery. It includes preclinical research on

Pharmacologie

La pharmacologie est une discipline scientifique du vivant, subdivision de la biologie, qui étudie les mécanismes d'interaction entre une substance active et l'organisme dans lequel elle évolue, de f

MSE-466: Wood structures, properties and uses

The presentation of tree growth and formation of wood anatomical structures, linked to the description of specific physical and mechanical properties, makes it possible to understand the different forms of utilisation of this material, including aspects of sustainable development.

MSE-360: Polymer science + TP

Introduction à la physique des polymères et aux liens entre structures chimiques et propriétés macroscopiques, avec accent sur la morphologie et le comportement thermomécanique. Méthodes de mise en œuvre, fournissant les bases nécessaires à la sélection des polymères dans un contexte industriel.