1. The mixed-valent 10-manganese(III/IV)-containing 36-tungsto-4-arsenate(V), [MnIII6MnIV4O4(OH)12(H2O)12(A-β-AsW9O34)4]22
Rami Al-Oweini, Bassem S Bassil, Marwa Itani, Dilara Börte Emiroğlu, Ulrich Kortz Acta Crystallogr C Struct Chem. 2018 Nov 1;74(Pt 11):1390-1394. doi: 10.1107/S2053229618014183. Epub 2018 Oct 26.
Interaction of the mixed-valent 12-manganese coordination complex [MnIII8MnIV4O12(CH3COO)16(H2O)4] with the lacunary 9-tungstoarsenate(V) [A-α-AsW9O34]9- resulted in the 10-manganese(III/IV)-containing 36-tungsto-4-arsenate(V), [MnIII6MnIV4O4(OH)12(H2O)12(A-β-AsW9O34)4]22- (1). Polyanion 1 was isolated as a hydrated mixed potassium-sodium salt, K14Na8[MnIII6MnIV4O4(OH)12(H2O)12(A-β-AsW9O34)4]·104H2O, which crystallizes in the orthorhombic space group Pbcn and was characterized by FT-IR spectroscopy and single-crystal X-ray diffraction, as well as elemental and thermogravimetric analyses. The title polyanion contains a unique [MnIII6MnIV4O4(OH)12(H2O)12]14+ core stabilized within the 36-tungsto-4-arsenate(V) framework.
2. CsB3O4(OH)2: a new deep-ultraviolet birefringent crystal with [B3O4(OH)2] anionic group
Xinyue Wang, Bingbing Zhang, Daqing Yang, Ying Wang Dalton Trans. 2022 Sep 26;51(37):14059-14063. doi: 10.1039/d2dt02573f.
A new cesium hydroxyborate CsB3O4(OH)2, was designed and synthesized by a hydrothermal method. Remarkably, CsB3O4(OH)2 presents novel [B3O4(OH)2]∞ chains formed by [B3O4(OH)2] fundamental building blocks (FBBs). The report of less common [B3O4(OH)2] FBBs and [B3O4(OH)2]∞ chains in CsB3O4(OH)2 enriches the structural diversity of hydroxyborates. In addition, CsB3O4(OH)2 has a wide transparent window in the DUV spectral range and a large birefringence.
3. Biomarkers of 4-hydroxy- N,N-methylpropyltryptamine (4-OH-MPT) intake identified from human hepatocyte incubations
Jeremy Carlier, Sara Malaca, Marilyn A Huestis, Adriano Tagliabracci, Anastasio Tini, Francesco P Busardò Expert Opin Drug Metab Toxicol. 2022 Dec;18(12):831-840. doi: 10.1080/17425255.2022.2166826. Epub 2023 Jan 26.
Background: 4-Hydroxy-N,N-methylpropyltryptamine (4-OH-MPT) is a psychedelic tryptamine whose use is regulated in several countries. Due to unspecific effects, consumption can be ascertained only through toxicological analyses. However, the trace amounts of tryptamines are usually challenging to detect in biological samples. 4-OH-MPT metabolism was characterized to identify optimal metabolite markers of intake in clinical/forensic toxicology. Research design and methods: 4-OH-MPT was incubated with 10-donor-pooled human hepatocytes to simulate in vivo conditions; samples were analyzed by liquid chromatography-high-resolution tandem mass spectrometry (LC-HRMS/MS), and data were processed with Compound Discoverer from Thermo Scientific. LC-HRMS/MS and data mining were supported by in silico metabolite predictions (GLORYx). Results: Three phase I and four phase II metabolites were identified, including N-oxidation and N-demethylation at the alkylamine chain, and O-glucuronidation and sulfation at the hydroxylindole core. Conclusions: 4-OH-MPT metabolic fate was consistent with the human metabolism of tryptamine analogues: we suggest 4-OH-MPT-N-oxide and 4-hydroxy-N,N-propyltryptamine (4-OH-PT) as metabolite biomarkers of 4-OH-MPT consumption after glucuronide/sulfate hydrolysis in biological samples to improve detection of 4-OH-MPT and phase I metabolites; 4-OH-MPT-glucuronide is suggested as an additional biomarker when hydrolysis is not performed. Further research on the metabolism of structural analogues is necessary to evaluate the specificity of 4-OH-MPT metabolite biomarkers.
