High-throughput experimentation (HTE) has revolutionized the pharmaceutical industry, most notably allowing for rapid screening of compound libraries against therapeutic targets. The past decade has also witnessed the extension of HTE principles toward the realm of small-molecule process chemistry. Today, most major pharmaceutical companies have created dedicated HTE groups within their process development teams, invested in automation technology to accelerate screening, or both. The industry's commitment to accelerating process development has led to rapid innovations in the HTE space. This review will deliver an overview of the latest best practices currently taking place within our teams in process chemistry by sharing frequently studied transformations, our perspective for the next several years in the field, and manual and automated tools to enable experimentation. A series of case studies are presented to exemplify state-of-the-art workflows developed within our laboratories.
We report the magnetic phase diagram of EuTi1−xBxO3 (B = Zr, Nb), determined from magnetization and heat capacity measurements. Upon Zr-doping, the antiferromagnetic ordering temperature TN of EuTi1−xZrxO3 gradually decreases from 5.6 K (x = 0) to 4.1 K (x = 1). Whereas a similar decrease in TN is observed for small amounts of Nb doping (x ≤ 0.05), ferromagnetism is induced in EuTi1−xNbxO3 with x > 0.05. The ferromagnetic interaction between localized Eu 4f spins mediated by itinerant electrons introduced by Nb doping results in the ferromagnetism in EuTi1−xNbxO3.
Poly(3‐perfluorooctylthiophene) is the first reported conjugated polymer that is soluble in supercritical carbon dioxide (see Figure). The electron‐withdrawing nature of the perfluoroalkyl groups affords a material that undergoes reversible reduction (n‐doping), and the polymer displays a large Stokes shift because of a large difference in the conformation of the ground state and a more planar excited state.
The AR2O4 family (R = rare earth) have recently been attracting interest as a new series of frustrated magnets, with the magnetic R atoms forming zigzag chains running along the c-axis. We have investigated polycrystalline BaNd2O4 with a combination of magnetization, heat capacity, and neutron powder diffraction (NPD) measurements. Magnetic Bragg peaks are observed below TN = 1.7 K, and they can be indexed with a propagation vector of k = (0 1/2 1/2). The signal from magnetic diffraction is well described by long-range ordering of only one of the two types of Nd zigzag chains, with collinear up-up-down-down intrachain spin configurations (Double Néel state). Furthermore, low temperature magnetization and heat capacity measurements reveal two magnetic field-induced spin transitions at 2.75 T and 4 T for T = 0.46 K. The high field phase is paramagnetic, while the intermediate field state may arise from a spin transition of the long-range ordered Nd chains. One possible candidate for the field-induced ordered state corresponds to an up-up-down intrachain spin configuration, as predicted for a classical J1-J2 Ising chain with a Double Néel ground state in zero field.
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