Di-μ-chlorido-bis­{[2-({[2-(2-pyrid­yl)eth­yl](2-pyridylmeth­yl)amino}meth­yl)phenol]zinc(II)} bis­(perchlorate) dihydrate

The title compound, [Zn2Cl2(C20H21N3O)2](ClO4)2·2H2O, consists of a dinuclear ZnII cationic complex, two disordered perchlorate anions and two water mol­ecules as solvate. The [Zn2(μ-Cl)2(HL)2]2+ cation [HL is 2-({[2-(2-pyrid­yl)eth­yl](2-pyridylmeth­yl)amino}meth­yl)phenol] has a centrosymmetric structure with the ZnII ions in a distorted octa­hedral environment surrounded by an N3OCl2 donor set. HL acts as a tetra­dentate ligand through three N atoms from one amine group and two pyridyl arms and one O atom from the phenolic arm. The three N-donor sites of the HL ligand are arranged in meridional fashion, with the pyridine rings coordinated in trans positions with respect to each other. Consequently, the amine and phenol groups are trans to the asymmetric di-μ-chlorido exogenous bridges. A polymeric chain is formed along [010] by C(12)R 4 2(8) inter­molecular hydrogen bonding. The perchlorate anion is disordered and was modelled by two sites in a 0.345 (18):0.655 (18) ratio. Water–perchlorate O—H⋯O inter­actions form cyclic structures, while phenol–water O—H⋯O inter­actions generate an infinite chain. In addition, weak inter­molecular C—H⋯π(Ph) inter­actions between pyridine donor and phenol acceptor groups of neighboring cations build a two-dimensional polymeric structure parallel to (110)

Biochemical and ultrastructural changes in the liver of European perch (Perca fluviatilis L.) in response to cyanobacterial bloom in the Gruža reservoir

We investigated the biochemical and ultrastructural changes in the liver of the freshwater fish, European perch (Perca fluviatilis), in response to Aphanizomenon flos-aquae bloom in the Gruža Reservoir, Serbia. The activities of total manganese- and copper zinc-containing superoxide dismutase (Tot SOD, Mn-SOD, Cu/Zn-SOD), catalase (CAT), glutathione peroxidase (GSH-Px), glutathione reductase (GR) and biotransformation phase II enzyme glutathione-S-transferase (GST), as well as concentrations of total glutathione (GSH) and sulfhydryl (-SH) groups were examined before and during the bloom period. Mn-SOD activity was significantly higher, while the activities of Cu/Zn-SOD, CAT and GSH-Px and the concentration of the -SH groups were significantly lower during the bloom. The ultrastructure of the liver revealed necrotic and apoptotic damage to the hepatocytes during the bloom period. Our work represents the first study to report the influences of an Aphanizomenon flos-aquae bloom in the Gruža Reservoir on antioxidant biomarkers and on histopathological alterations in the liver of the freshwater fish European perch (Perca fluviatilis)

Analysis of nucleotide sequence repeats in coronaviruses

Repeats in nucleotide sequences are connected with various genome characteristics. RNA secondary structures are related to repeats at the primary structure level. Four different types of nucleotide repeats may be identified: direct non-complementary, direct complementary, inverse non-complementary and inverse complementary. Reverse complementary tandem repeats, for example, may form hairpin secondary structures, while reverse non-complementary may be recognized by proteins. On the other side, direct complementary and/or non-complementary repeats may be reflected in protein sequence repeats, if found in the same reading frame, within the protein-coding sequence. Here we analyzed (determined and compared) all four types of nucleotide repeats in referent sequences of SARS-CoV-1, SARS-CoV-2 and MERS-COV viruses. In addition to the complete repeat set, we analyze different repeat subsets: repeats with the left component within the 5’ end, repeats with the right component within the 3’ end, and repeats with at least one component within the surface glycoprotein coding sequence. We found significant differences in repeat sets corresponding to analyzed sequences in all analyzed repeat sets. In this moment we can only speculate what are the real consequences of the discovered differencesBook of abstract: 4th Belgrade Bioinformatics Conference, June 19-23, 202

Clustering and classification of SARS-COV-2 isolates using RSCU

The existence of a large number of sequenced SARS-COV-2 isolates provides an opportunity to observe genomic variability in a massive sample. The goal of our research was to use data mining techniques to study possible correlation between codon usage and classification by WHO-labels in a certain period of time. The material includes 745,533 isolates with 12,236,672 coding sequences (proteins) from NCBI (10.08.2022.). RSCU was used as a measure of codon usage. Samples are associated with WHO-labels (based on Pango_Id) and time intervals. Inconsistency of WHO-labels with periods in which the respective strains were actually present was observed. The isolates with the observed discrepancy were excluded from the sample. Isolates without assigned WHO-labels were also excluded. In addition, individual coding sequences containing ambiguous nucleotide codes were eliminated. Clustering was performed for each of the 12 common types of coding sequences (proteins), with multiple methods and a different number of clusters. Neural clustering gave the best results. For different protein types, different degrees of RSCU variability are observed. In the case of proteins with a small variation in nucleotide contents, over 95% of the material belongs to a single cluster, while the other clusters are of negligible size. In the case of proteins with more variations, a higher number of pure clusters (by WHO-labels) is obtained, with a small number of heterogeneous clusters (about 10% of the material). In those heterogeneous clusters, there are isolates with different WHOlabels that were present in parallel at some point, as a kind of transitional forms between two strains. Different classification models were created on the same sample. Models based on protein types with higher diversity between coding sequences are highly accurate (96- 100%). Using the classification models, the corresponding WHO-labels were associated with isolates without previously assigned WHO-labels.Book of abstract: 4th Belgrade Bioinformatics Conference, June 19-23, 202

Supplementary data for the article: Borković-Mitić, S. S.; Prokić, M. D.; Krizmanić, I. I.; Mutić, J.; Trifković, J.; Gavrić, J.; Despotović, S. G.; Gavrilović, B. R.; Radovanović, T. B.; Pavlović, S. Z.; et al. Biomarkers of Oxidative Stress and Metal Accumulation in Marsh Frog (Pelophylax Ridibundus). Environmental Science and Pollution Research 2016, 23 (10), 9649–9659. https://doi.org/10.1007/s11356-016-6194-3

Supplementary material for: [https://doi.org/10.1007/s11356-016-6194-3]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1941

Supplementary data for the article: Prokić, M. D.; Borković-Mitić, S. S.; Krizmanić, I. I.; Mutić, J. J.; Trifković, J. Đ.; Gavrić, J. P.; Despotović, S. G.; Gavrilović, B. R.; Radovanović, T. B.; Pavlović, S. Z.; et al. Bioaccumulation and Effects of Metals on Oxidative Stress and Neurotoxicity Parameters in the Frogs from the Pelophylax Esculentus Complex. Ecotoxicology 2016, 25 (8), 1531–1542. https://doi.org/10.1007/s10646-016-1707-x

Supplementary material for: [https://doi.org/10.1007/s10646-016-1707-x]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2340

Structural study of Pt(II) and Pd(II) complexes with quinoline-2-carboxaldehyde thiosemicarbazone

Two square-planar complexes, [PtLCl] (1) and [PdLCl] (2), were synthesized with quinoline-2-carboxaldehyde thiosemicarbazone ligand (HL), and characterized by IR and NMR spectroscopy and single crystal X-ray diffraction analysis. In both complexes, L- is coordinated tridentately via the same donor atom set, while the fourth coordination site is occupied by a chloride ion. However, the complexes are not isostructural due to different types of non-covalent intermolecular interactions. These interactions were analyzed using Hirshfeld surfaces and two-dimensional fingerprint plots