Crystal engineering of pharmaceutical cocrystals in the discovery and development of improved drugs

G Bolla, B Sarma, AK Nangia - Chemical reviews, 2022 - ACS Publications
The subject of crystal engineering started in the 1970s with the study of topochemical
reactions in the solid state. A broad chemical definition of crystal engineering was published …

The role of solvation in proton transfer reactions: implications for predicting salt/co-crystal formation using the Δp K a rule

AJ Cruz-Cabeza, M Lusi, HP Wheatcroft… - Faraday Discussions, 2022 - pubs.rsc.org
The ΔpKa rule is commonly applied by chemists and crystal engineers as a guideline for the
rational design of molecular salts and co-crystals. For multi-component crystals containing …

In-silico methods of cocrystal screening: A review on tools for rational design of pharmaceutical cocrystals

A Kumar, A Nanda - Journal of Drug Delivery Science and Technology, 2021 - Elsevier
Pharmaceutical cocrystals represent a distinctive class of crystal engineered
multicomponent systems consisting an API and a crystal former non-covalently linked …

Intermolecular interactions in functional crystalline materials: from data to knowledge

AV Vologzhanina - Crystals, 2019 - mdpi.com
Intermolecular interactions of organic, inorganic, and organometallic compounds are the key
to many composition–structure and structure–property networks. In this review, some of …

Mechanosynthesis of Higher‐Order Cocrystals: Tuning Order, Functionality and Size in Cocrystal Design

ZX Ng, D Tan, WL Teo, F León, X Shi… - Angewandte Chemie …, 2021 - Wiley Online Library
The ability to rationally design and predictably construct crystalline solids has been the
hallmark of crystal engineering research. To date, numerous examples of multicomponent …

Color-tunable persistent luminescence in molecular polymorphs of ionic co-crystals

Y Liu, Y Ma, X Fang, T Chen, F Nie… - Journal of Materials …, 2023 - pubs.rsc.org
Room temperature phosphorescence (RTP) with long afterglow from molecular crystals has
been the subject of growing interest for researchers over the last decade due to its potential …

Proton transfer on the edge of the salt/cocrystal continuum: X-ray photoelectron spectroscopy of three isonicotinamide salts

PT Edwards, LK Saunders, AR Pallipurath… - Crystal Growth & …, 2021 - ACS Publications
X-ray photoelectron spectroscopy (XPS) has emerged as a technique that allows for
characterization and classification of hydrogen bonding and proton transfer interactions in …

Investigation of poor solubility of a salt-cocrystal hydrate: A case study of the common-ion effect in Betrixaban, an anticoagulant drug

R Devarapalli, A Indukuri, M Bollineni… - Molecular …, 2021 - ACS Publications
Achieving the desired solubility and dissolution of active pharmaceutical ingredients (APIs)
continues to be a big challenge in the pharmaceutical industry. In this regard …

Determination of H-atom positions in organic crystal structures by NEXAFS combined with density functional theory: A study of two-component systems containing …

PT Edwards, LK Saunders, DC Grinter… - The Journal of …, 2022 - ACS Publications
It is important to be able to identify the precise position of H-atoms in hydrogen bonding
interactions to fully understand the effects on the structure and properties of organic crystals …

Recovery and post-treatment processes for ionic liquids and deep eutectic solvents

L Yu, Z Li, W Huang, A Ali, Y Chen, G Zhao… - Journal of Molecular …, 2024 - Elsevier
Green solvents have been used to varying degrees in processes such as extraction,
separation, synthesis, catalysis, analysis, materials preparation and so on; meanwhile more …