Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations

Abstract

Amygdalin is an effective component of the traditional Chinese medicine bitter almond, peach kernel, and plum kernel. It has pharmacological effects, such as relieving cough and asthma. In a study of the crystallization process, we found a series of solvatomorphs of amygdalin (including hydrate). Interestingly, in the structures of these solvatomorphs, the same characteristic structural fragment is present, that is, amygdalin dihydrate. Multiple analytical techniques were used to characterize the solvatomorphs, such as X-ray diffraction and thermogravimetry–mass spectrometry. Void calculations of water and solvent were used to analyze the occupied volume in the unit cell of the corresponding solvatomorphs to explain the formation mechanism of the solvatomorphs from the perspective of space. To elucidate the formation mechanism of the solvatomorphs with this kind of characteristic structure from the perspective of energy, theoretical calculations based on density functional theory were applied, such as energy decomposition and molecular electrostatic potential surfaces. In addition, the transformation phenomenon between these solvatomorphs and amygdalin was identified, and the transformation pathways are described in detail.

In Vivo Growth Inhibition of Human Caucasian Prostate Adenocarcinoma in Nude Mice Induced by Amygdalin with Metabolic Enzyme Combinations

“…Due to PC's great clinical and economic significance [ 4 ], extensive research has resulted in the fast growth of metastatic therapeutic options [ 5 , 6 ]. AMD ( Figure 1 ) (formerly known as laetrile) is a nitriloside present in the seed of prunasin group plants such as apricots, almonds, peaches, fruits, and many other rosaceous species [ 7 , 8 ]. AMD has been commonly used to treat malignancy and pain [ 9 – 11 ].…”

Ultrasensitive determination of quercetin using electrochemical sensor based on nickel-doping Zinc-based zeolite imidazole frame with a four-point star morphology

“…Based on these regression equations, the limit of detection (LOD) for quercetin detection is calculated to be 48 pM (with N = 10 and S/N = 3). Collectively, all experimental ndings imply that the electrochemical sensor constructed with Ni-ZIF-8-S/GCE allows for the ultra-sensitive detection of quercetin, outperforming some previously reported works (summarized in Table 1) [36][37][38][39][40][41][42][43][44][45][46][47][48][49][50][51]. The remarkable electrochemical analysis performance of Ni-ZIF-8-S for quercetin can be attributed to To assess the stability of the Ni-ZIF-8-S/GCE, the Ni-ZIF-8-S/GCE was stored in a refrigerator at 4°C, and the current response to 5 µM quercetin was recorded using DPV every other day (Fig.…”

Transparent and Superhydrophilic Flexible Protein Films with Antifogging and Self-Cleaning Attributes

“…The AMD molecules are connected through conventional hydrogen bonds via O−H•••O. 25 AMD has been effectively explored as a potential anticancer agent. Elderdery et al synthesized nanocomposites of ZnO−TiO 2 −Chitosan-AMD nanocomposite to explore its anticancer property.…”

“…It is a polyhydroxy compound with a molecular formula of C 20 H 27 O 11 N. All hydroxyl groups in the AMD molecule participate in the formation of hydrogen bonds. The AMD molecules are connected through conventional hydrogen bonds via O–H···O . AMD has been effectively explored as a potential anticancer agent.…”