The purpose of this study is to use a material library to investigate the effect of raw material properties on ribbon tensile strength (TS) and solid fraction (SF) in the roll compaction (RC) process. A total of 81 pharmaceutical materials, including 53 excipients and 28 natural product powders (NPPs), were characterized by 22 material descriptors and were compacted under five different hydraulic pressures. The transversal and longitudinal splitting behaviors of the ribbons were summarized. The TS-porosity and TS-pressure relationships were used to explain the roll compaction behavior of powdered materials. Through defining the target ribbon quality (i.e., 0.6 ≤ SF ≤ 0.8 and TS ≥ 1 MPa), the roll compaction behavior classification system (RCBCS) was built and 81 materials were classified into three categories. A total of 24 excipients and five NPPs were classified as Category I materials, which fulfilled the target ribbon quality and had less occurrence of transversal splitting. Moreover, the multivariate relationships between raw material descriptors, the hydraulic pressure and ribbon quality attributes were obtained by PLS regression. Four density-related material descriptors and the cohesion index were identified as critical material attributes (CMAs). The multi-objective design space summarizing the feasible material properties and operational region for the RC process were visualized. The RCBCS presented in this paper enables a formulator to perform the initial risk assessment of any new materials, and the data modeling method helps to predict the impact of formulation ingredients on strength and porosity of compacts.

The purpose of this study was to identify the chemical components in aerial parts of Hypecoum erectum. A new 1,3-benzodioxole derivative, identified as Hypecoumic acid (1), was isolated, together with the three known compounds: protopine (2), coptisine (3), and cryptopine (4). Their structures were identified based on extensive spectroscopic experiments, including nuclear magnetic resonance (NMR) and high-resolution electrospray ionization mass spectra (HR-ESI-MS), as well as comparison with those reported in the literature. Meanwhile, the in vitro antioxidative activity of all compounds was determined using a DPPH-scavenging assay, and compound 1 (IC₅₀ = 86.3 ± 0.2 μM) was shown to have moderate antioxidative activity.

Porphyrin tapes have attracted extensive attention because their fully conjugated π-networks act as nonlinear optical (NLO) materials. A family of Ni(II) and Zn(II) porphyrin arch-tapes that are connected by varying bridge (B) ligands (meso–meso β–β doubly linked dimer 1, meso–meso β–β β–β triply linked dimer 3, methylene-inserted dimer 2 and trimer 5, carbonyl-inserted dimer 4, trimer 6, and Zn(II) trimer 7) have been synthesized by a density functional theory (DFT) method. The results show that carbonyl-inserted arch-tapes significantly enhance second hyperpolarizability (γ), indicating that the remarkably contorted structure incorporated seven-membered ring(s) directly affect their NLO properties of our focus. Moreover, the electronic absorption spectra calculated for all studied complexes with time-dependent DFT theory (TDDFT) predict that carbonyl-inserted complex 4 contributes to a red-shift of the Q-band (160 nm) for the meso–meso β–β doubly linked complex 1. The third-order NLO responses and the electron transition properties strongly depend on the nature of the bridge (B) ligand, which means that an active involvement of the carbonyl group presents an advantage for its application in NLO materials.