Theophylline (TP) is a methylxanthine derivative, which serves as a valuable compound in
treating respiratory disorders and acts as a bronchodilator agent. However, TP has a limited …

In this work, quantum chemical simulations based on density functional theory (DFT) were
utilized to explore the structural and spectroscopic features of naringin. The breast cancer …

Density functional theory (DFT) quantum chemical computations were used to explore the
structural and spectroscopic characteristics of the Gamma terpinene molecule in this study …

Morinda citrifolia is a traditional plant used in Asian and African countries for its wide
nutraceutical and therapeutic effects for the treatment of various ailments. The fruit of M …

In this current investigation, structural and spectroscopic characteristics of the Lawsone (2-
hydroxy-1, 4-napthoquinone) molecule was examined by density functional theory (DFT) …

The syringic acid urea (SYRAUA) cocrystal was produced at room temperature using a slow
evaporation approach. The SYRAUA formed as orthorhombic crystal with the Cmca space …

Piperoylpiperidine (1-PIP) was crystallized as a single unit by a slow evaporation process,
and it was examined using XRD and FT-IR spectroscopy. The centrosymmetric monoclinic …

Abstract L-histidinium sulfamate,(C 6 H 10 N 3 O 2)+. SO 3 NH 2−, crystallizes in the
orthorhombic space group, P2 1 2 1 2 1, with four molecules per unit cell. The asymmetric …

The 5-isopropyl-2-methylphenol (5IP2MP) molecule, a monoterpenoid phenol mostly
existing in the essential oil of Origanum vulgare L., was used as a potent breast cancer …

The single crystal of syringic acid was crystallized by slow evaporation technique and
characterized using XRD, FTIR, FT-Raman, and UV-Vis spectroscopy. XRD confirms the …