The crystallization of α-p-aminobenzoic acid (p ABA) from mixed solutions in ethanol (EtOH)
and nitromethane (NMe) is reported. From solutions with compositions> 60 wt% NMe, the …

In the framework of the multitarget inhibitor study, we report an in silico analysis of 1, 2-
dibenzoylhydrazine (DBH) with respect to three essential receptors such as the ecdysone …

For decades now, computational chemistry has allowed us to shorten experimental times to
meet the needs of humanity in finding solutions. In this regard, we tried to exploit tools such …

The purpose of this study is to confirm the impact of polar functional groups on inter and intra-
molecular hydrogen bonding in haloperidol (HP) and droperidol (DP) and, hence, their …

Terbinafine hydrochloride (TH), a poorly water soluble antifungal agent, was characterized
by solid state techniques including differential scanning calorimetry, thermogravimetry, X-ray …

The growing interest of pharmaceutical companies toward the crystal morphology prediction
of active pharmaceutical ingredients is a consequence of the dramatic effect of the crystal …

Crystal morphology prediction of two very similar thiadiazoles was performed by means of
molecular mechanics calculations embedded in dedicated software. Both thiadiazoles …

Due to several failed attempts to crystallize indicaxanthin, a powerful antioxidant belonging
to the vast family of betalains, its ab initio crystal structure prediction has been performed …

Methoxycarbonyl-1-phenyl-2-cyclopropylmethyl based derivatives cis-(+)-1a [cis-(+)-
MR200], cis-(−)-1a [cis-(−)-MR201], and trans-(±)-1a [trans-(±)-MR204], have been identified …

Self-assembled L, L-diphenylalanine (FF) peptide micro/nanotubes represent a class of
biomimetic materials with a non-centrosymmetric crystal structure and strong piezoelectricity …