Synthesis, structure and biological activity some rare earth element complexes containing quinoline sulfonate derivatives

Five new lanthanide complexes [Ln2(MeQBr-2H)3(H2O)6]. nH2O (Ln = Y, La, Pr, Nd, Eu) were synthesized by interaction between lanthanide chloride and a derivative of quinoline, namely 5-bromo-7-(carboxymethoxy)-6-hydroxy-1-methylquinolin-1-ium-3-sulfonate. The molecular formulas and structures of the complexes were determined using combination of IR, EDX, ESI MS, 1H NMR spectra, thermal analysis and single-crystal X-ray diffraction of similar compound YQBr. The results of tested antimicrobial activity showed that the complexes exhibit high activities on Bacillus subtilis, Lactobacillus fermentum with low IC50 values, 0.56÷3.55 (µg/ml).

Feature importance correlation from machine learning indicates functional relationships between proteins and similar compound binding characteristics

Machine learning is widely applied in drug discovery research to predict molecular properties and aid in the identification of active compounds. Herein, we introduce a new approach that uses model-internal information from compound activity predictions to uncover relationships between target proteins. On the basis of a large-scale analysis generating and comparing machine learning models for more than 200 proteins, feature importance correlation analysis is shown to detect similar compound binding characteristics. Furthermore, rather unexpectedly, the analysis also reveals functional relationships between proteins that are independent of active compounds and binding characteristics. Feature importance correlation analysis does not depend on specific representations, algorithms, or metrics and is generally applicable as long as predictive models can be derived. Moreover, the approach does not require or involve explainable or interpretable machine learning, but only access to feature weights or importance values. On the basis of our findings, the approach represents a new facet of machine learning in drug discovery with potential for practical applications.

Psychedelics as a Training Experience for Psychedelic Therapists: Drawing on History to Inform Current Practice

The therapeutic use of psilocybin in psychedelic-assisted therapy models is currently being tested for a variety of indications, necessitating the training of hundreds of therapists. At present, training programs do not include the provision of a psilocybin experience for therapists, and the last time such an experience was offered with a similar compound was through the Spring Grove LSD Training Study between 1969 and 1974. This article explores archival Spring Grove data to inform training programs and efforts to establish or provide training experiences with psilocybin or otherwise include experiences with nonordinary states of consciousness in the training of psychedelic therapists.

Three new species of Syllis Savigny in Lamarck, 1818 (Annelida, Syllidae) from Chilean Patagonia

Three new species of the genus Syllis Savigny in Lamarck, 1818, from the Chilean Patagonia are described, figured and discussed. The specimens were collected in boulders, sediment bottoms, Macrocystis pyrifera holdfasts, and inside tubes of Chaetopterus cf. variopedatus. Syllis patagonica n. sp., is characterized by its color pattern, short, fusiform dorsal cirri, plenty of hyaline inclusions, acuminate posterior acicula, and compound chaetae with slightly bidentate falcigers. Syllis terraeignium n. sp., has similar compound chaetae, but dorsal cirri are longer than those of the above mentioned species, a long proventricle, and the posterior acicula are straight, pointed. Finally, Syllis patersoni n. sp., has a slender, elongated body, with moderately long dorsal cirri, plenty of hyaline inclusions, acuminate posterior acicula, and compound chaetae composed by falcigers and short spiniger-like.

Effect of a plant-derived spider toxin analogue on crayfish neuromuscular junctions

N8-Coumaroyl spermidine (N8-CS) is an example of hydroxycinnamic acid - polyamine conjugates found in certain plants. Because of its structural similarity to some spider toxins, N8-CS was tested for its ability to block arthropod neuromuscular synapses. It inhibited chemical synaptic transmission at crayfish (Procambarus clarkii) neuromuscular junctions, the IC50 being approximately 200 µM. Its effect was at least partially reversed by washing with physiological saline. Joro spider toxin, a structurally similar compound, also blocked crayfish neuromuscular synapses but its effect was irreversible. These results suggest that plant-derived cinnamoyl spermidines might have paralytic properties similar to those of spider toxins.

Enhanced Oxide Ion Diffusion in the Interlanthanide Perovskite LaTmO3

ABSTRACTRecent studies on Perovskites type compounds revealed an oxide ion conductivity, higher than that of Fluorite structures. The most recent one is doped Lanthanum Gallate, which exhibits a maximum ionic conductivity of 0.14 S cm-1 and is a promising new ion conductor. The objective of this study is to synthesize and investigate the ionic conductivity of a similar compound, namely doped LaTmO3. Single phase compounds of the system La1-xSrxTm1-yMgyO3(X=0-0.2,y=0.1&0.2) were synthesized and the ionic conductivity measured at various temperatures. The results showed that ionic conductivity improved significantly with Sr doping. It showed highest oxygen ion diffusion and catalytic activity for Sr doped LaTmO3.

Potentiation of the antimalarial agent rufigallol.

We have discovered a remarkable synergistic antimalarial interaction between rufigallol and the structurally similar compound exifone. The synergistic effects were produced in chloroquine-susceptible and chloroquine-resistant clones of Plasmodium falciparum. The degree of potentiation as estimated by standard isobolar analysis was approximately 60-fold for experiments initiated with asynchronous parasites. The most pronounced synergism was observed in experiments with synchronized trophozoite-infected erythrocytes, in which the degree of synergy was at least 300-fold. While the mechanism underlying this drug potentiation remains unresolved, it is hypothesized that rufigallol acts in pro-oxidant fashion to produce oxygen radicals inside parasitized erythrocytes. These radicals would attack exifone, thereby initiating its transformation into a more potent compound, a xanthone.

Powder X-ray crystallography of gallium 3-hydroxy-4-pyronates

Two complexes of gallium with 3-hydroxy-4-pyrones were synthesized as potential pharmaceutical compounds for oral administration. These compounds were analyzed by powder X-ray diffraction followed by computer indexing of the data. The first compound, tris(3-hydroxy-2-methyl-4-pyronato)gallium [Ga(C6H5O3)3], was found to be orthorhombic, a = 18.500(2), b = 16.948(2), c = 12.012(2) Å, V = 3766(1) Å3, Z = 8, Dm = 1.56(5), Dx = 1.570. The compound appears closely analogous to a similar compound containing Al instead of Ga, which crystallizes in space group Pbca. The second compound, tris(3-hydroxy-2-ethyl-4-pyronato)gallium [Ga(C7H7O3)3], was found to be monoclinic, a = 31.634(2), b = 8.7662(5), c = 7.8982(5) Å, β = 103.240(6)°, V = 2132.0(5) Å3, Z = 4, Dm = 1.50(5), Dx = 1.517, with a primitive space group.