The molecular structures, thermal decomposition behavior, and antimicrobial activity of dipropyl α‑hydroxy(aryl)methylphosphonates were investigated. It was shown that the nature of the para-substituent dictated the crystal packing via a hierarchy of secondary interactions, whereas thermal degradation correlated with the nature of the substituent on the benzene ring. All compounds exhibited antimicrobial activity against B. cereus and S. aureus comparable to that of benzalkonium chloride, as well as activity against Candida fungi.
The search for new antibacterial agents is an important task due to the emergence of resistance to widely used drugs. Bromine-, chlorine-, and nitro-substituted phenyl ring azomethines with long alkyl chains (C12, C14, C16, and C18) were synthesized and characterized using several experimental methods (NMR and IR spectroscopy, elemental analysis, mass spectrometry). Antibacterial and antifungal activity was tested on several cultures; the synthesized compounds show activity at the level of some commercial antiseptics. Lipophilicity (an important descriptor for predicting biological properties) of the experimentally synthesized and isomeric molecules was determined by three different approaches: quantum chemistry, machine learning (GraphormerLogP model), and an atom contribution model (RDKit library). The quantum-chemical method can account for any spatial arrangements and can be considered the most accurate of the approaches used, but it requires significant computational time. The atom contribution model is the fastest of the methods used, but it gives underestimated results, and different isomers have exactly the same values, in contrast to the quantum chemistry results. Machine learning-based methods (GraphormerLogP) demonstrate acceptable accuracy, sensitivity to isomerism, and orders-of-magnitude higher throughput, making them an optimal tool for high-throughput screening.
This article describes two clinical cases of upper eyelid coloboma with confirmed cardiac pathologies. In the first case, a 4–4.5-month-old kitten underwent bilateral canthotomy to reduce the palpebral fissure. After surgery, soft contact lenses were placed under the eyelids to prevent the formation of adhesions. The kitten died within two hours of surgery from alveolar edema. A morphological examination of the kidneys and heart was performed. In the second case of eyelid coloboma in a 10-month-old cat, a preliminary cardiac ultrasound (echocardiography) was performed. The echocardiographic examination revealed signs of grade 2 hypertrophic cardiomyopathy (HCM). After the first menstrual cycle, hormonally induced fibroadenomatous hyperplasia of the mammary glands was detected.
