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Spatial variation of per and poly-fluoroalkyl substances and organochlorine pesticides in great tit eggs across different areas in Padova, Italy
No full textBirds serve as crucial bioindicators of environmental pollution, reflecting the accumulation of contaminants through
the food chain (Sun et al., 2023). This study investigates the contamination of per- and polyfluoroalkyl substances
(PFAS) and organochlorine pesticides (OCPs) in great tit (Parus major) eggs collected from woodland, urban, and
agricultural areas around the city of Padua, Italy. The primary objective was to evaluate the potential of great tit eggs
as bioindicators for diffuse PFAS and OCP sources and to explore the factors contributing to the observed variations
in contamination levels. PFAS and OCPs are persistent contaminants with significant environmental and biological
impacts, including alterations in avian reproduction. PFAS, known for their stability and wide industrial applications,
have raised concerns due to their bioaccumulation and toxicity (Buck et al., 2011). OCPs, although largely banned,
persist in the environment, affecting wildlife and human health (Jones, 2021). The great tit, with its well-studied
ecology and cavity-nesting behavior, offers an ideal model for assessing local contamination (Van den Steen et al.,
2009).
In this study, abandoned and unhatched eggs collected during nest monitoring were analyzed. The results revealed
the presence of both PFAS and OCPs in all studied areas, albeit with significant variations in concentrations and
contamination profile
Chimeric Autoantibody Receptor- and/or Peptide-MHC-Based CAR Therapies for Targeted Elimination of Antigen-Specific B or T Cells in Hypersensitivity Disorders Such as Allergies and Autoimmune Diseases
No full textHypersensitivity reactions are dysregulated and potentially devastating immune responses, characterized by a tendency to become chronic. They target either self-proteins or harmless foreign proteins and are driven by both T and B cells. Although numerous symptomatic treatment options for hypersensitivity reactions have been established over recent decades, only a few antigen-specific, causal approaches capable of specifically targeting the pathogenic autoreactive T and/or B cells have been developed. Among these are cell-based treatment modalities involving chimeric antigen receptor (CAR)- or chimeric autoantibody-receptor (CAAR)-expressing cells. These therapies utilize B- or T-cell antigens, presented as B-cell epitopes or peptide-major histocompatibility complexes (pMHCs) to serve as bait. The latter are coupled to potent activation domains derived from the TCR/CD3 complex itself, such as the zeta or CD3 chains, as well as domains from bona fide co-stimulatory molecules (e.g., CD28, 4-1BB). Recent in vitro and in vivo studies have demonstrated the therapeutic potential of these ATMP-based strategies in eliminating autoreactive lymphocytes and alleviating hypersensitivity reactions. This systematic review provides a comprehensive overview of the current status of antigen-specific CAR and CAAR T-cell therapies, highlighting novel directions as well as the ongoing challenges within this promising research field
Theoretical study of Detonation Properties of Bis(Nitro-acetylacetonato) Complexes
No full textElectrostatic potential is a significant tool in determining the detonation sensitivity of high-energy materials including some energetic coordination compounds. It is known that strongly positive values of electrostatic potential above the central regions of molecular surface are indicator of high sensitivity of explosive towards external stimuli. The careful selection of ligands and metal ions can alter the electrostatic potential over the central regions of chelate complexes thereby influencing their capacity to engage in diverse non-covalent interactions or enhancing their detonation properties.[1] Recent findings show that certain transition metal chelates with semicarbazide and styphnic acid have promising energetic properties.[2]
In this work, a theoretical study was performed on five bis-(nitroacetylacetonato) complexes of cobalt, nickel, copper, zinc and vanadyl ion.[3] Analysis of the results showed that electrostatic potential values above the center of Cu(II) and Zn(II) bis(nitro-acac) complexes closely resemble the values found in traditional nitroaromatic explosives (25.25kcal/mol for Cu(acac-NO₂)₂ and 25.06 for Zn(acac-NO₂)₂ compared to 23,76kcal/mol for TNT). This isn’t the case for all studied complexes. The highest positive electrostatic potential was observed for VO(acac-NO₂)₂ complex. It's value above the vanadium reaches 40.18kcal/mol.
The results indicate that varying the metal centers in bis-(nitroacetylacetonato) complexes can modulate the electrostatic potential above the central region of these complexes, and could be used as a tool for improving detonation properties of energetic chelate complexes
Experimental and computational analysis of lipophilicity and plasma protein binding properties of potent tacrine based cholinesterase inhibitors
No full textThe lipophilicity of thirteen tacrine/piperidine-4-carboxamide derivatives was assessed using reversed-phase thin-layer chromatography (RP-TLC) with MeOH and acetonitrile (ACN) as organic modifiers. Among the parameters evaluated, the RM0 and C0 values obtained using MeOH were identified as the most reliable for characterizing the lipophilicity of the investigated compounds. The observed differences in lipophilicity among the derivatives resulted from a delicate interplay of substituent effects (hydrophobicity, polarity, steric hindrance, and electronic effects), positional influence, and characteristics of the organic modifier.
The plasma protein-binding (PPB) properties of the tacrine derivatives were analyzed using an HPLC method with a human serum albumin (HSA) stationary phase and a mobile phase composed of phosphate buffer (pH = 7) and 2-propanol. The experimental %PPB values calculated using from two experiments ranged from 82.38 % to 94.54 %, and 84.29 % to 98.16 % suggesting that most compounds bind efficiently but not excessively to plasma proteins.
Docking analysis revealed that all investigated ligands bind to Sudlow site I within HSA, which is the main binding site for heterocyclic aromatic compounds such as warfarine, azoprazone and tacrine. The key binding interactions are primarily hydrogen bonding and aromatic interactions. Principal component analysis (PCA), conducted on both experimentally determined and predicted lipophilicity values, as well as on predicted adsorption and experimentally and predicted distribution data, underscored the significant role of lipophilicity in influencing adsorption and distribution processes
Trimetallic ZIF as an effective visible-light photocatalyst for the removal of drug and dye contaminants from the water medium
No full textThe growing prevalence of organic pollutants, including antibiotics and textile dyes, in wastewater necessitates the development of innovative and efficient remediation strategies. To address the limitations of conventional UV-active photocatalysts such as TiO₂, a novel trimetallic zeolitic imidazolate framework (ZIF) was synthesized, incorporating Zn²⁺, Co²⁺, and Cu²⁺ ions coordinated with 2-methylimidazole. This material was specifically designed to harness visible light for enhanced photocatalytic degradation. The trimetallic ZIF was prepared using a reaction–diffusion method within an agar gel matrix. Its composition, structural, morphological and physico-chemical characteristics were examined via powder X-ray diffraction (PXRD) and scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM-EDS) (Figure 1), as well as UV–Vis diffuse reflectance spectroscopy, Fourier-transform infrared spectroscopy, and inductively coupled plasma optical emission spectrometry. Photocatalytic performance was assessed through the degradation of levofloxacin (a fluoroquinolone antibiotic) and acid orange 7 (an azo dye) under visible light irradiation. The material demonstrated broad-spectrum light absorption and high degradation efficiency. Radical scavenging experiments were conducted to elucidate the underlying degradation mechanisms. These results highlight the significant potential of trimetallic ZIFs as cost-effective and efficient photocatalysts for solar-driven wastewater treatment applications
Plectranthus-derived Abietanes as Protein Kinase C-δ Activators: In Silico Design, Human Serum Albumin Interaction, and Stability Evaluation
No full textCancer remains a major global health challenge. Among protein kinases (PKCs), PKC-δ acts as a tumor suppressor in colon cancer and represents a valuable therapeutic target. Human serum albumin (HSA) is gaining attention as an efficient drug carrier, while Plectranthus spp. offers a rich source of bioactive compounds. One such molecule is 7α-acetoxy-6β-hydroxyroyleanone (Roy, 1), a cytotoxic abietane diterpenoid with modifiable hydroxyl groups, making it a promising scaffold for drug development. This study aimed to design a theoretical library of Roy 1 derivatives targeting PKC-δ. Hydroxyl groups at positions C6 and C12 were modified to explore interactions through molecular docking against the PKC-δ regulatory domain (1PTR). Compound 16 emerged as the most promising candidate. Additionally, the binding of Roy 1 to HSA was evaluated by steady-state fluorimetry, revealing moderate affinity near Trp-214 and enhancing the thermal stability of the complex. Roy 1 exhibits excellent aqueous stability (0.1 mM, pH 7.4, 37°C), with similar results for two benzoylated derivatives (RoyBz and Roy12Bz), and no ester hydrolysis was detected. These findings highlight Roy 1’s potential as a stable, bioactive lead compound for developing PKC-δ-targeted therapeutics, with HSA as a suitable delivery vehicle
Supplementary data for the article: Vlahović, F.; Ognjanović, M.; Nenadović, M.; Topalović, I.; Savić, S.; Ristivojević, P.; Antić, B.; Konya, Z.; Stanković, D. NADES-Based Preparation of Nd-TiO2/Oxygen Doped-g-C3N4 Heterojunction with Enhanced Photocatalytic Performances: Experimental Investigation with Theoretical Explanation. Journal of Water Process Engineering 2025, 78, 108786. https://doi.org/10.1016/j.jwpe.2025.108786.
No full textSupplementary material for: [https://doi.org/10.1016/j.jwpe.2025.108786]Related to published version: [https://cherry.chem.bg.ac.rs/handle/123456789/7236]Related to accepted version: [https://cherry.chem.bg.ac.rs/handle/123456789/7545
Sinteza, karakterizacija i potencijalna antimikrobna aktivnost kompleksa kadmijuma(II) sa metil 3-formil-4- -hidroksibenzoatom
No full textKoordinaciona jedinjenja zauzimaju značajno mesto u medicinsokoj hemiji, njihov značaj ogleda se u primeni u lečenju tumora, artritisa, različitih bakterijskih i gljivičnih infekcija, magnetnoj rezonanci (MRI), regulisanju nivoa glukoze u krvi. Usled sve veće rezistencije bakterija na do sada korišćene antibiotike, koji po strukturi predstavljaju male organske molekule, veliki broj istraživanja usmeren je ka pronalasku nove generacije antibiotika koja bi se bazirala na kompleksnim jedinjenima. Cilj ovog rada je sinteza i karakterizacija kompleksa Cd(II) sa metil 3-formil-4-hidroksibenzoatom i α-diiminskim ligandom 2,9-dimetil-1,10-fenatrolinom. Ispitana je potencijalna antimikrobna aktivnost kompleksa usled poznatih antimikrobnih svojstava derivata salicilaldehida i fenantrolina
Kreiranje biblioteke gena lakaze iz Streptomyces cyaneus u Escherichia coli
No full textCilj ovog je kreiranje biblioteke gena iz S. cyaneus za ekspresiju u E. coli koristeći slučajnu mutagenezu (Error Prone PCR) kako bi se pronašla varijanta koja bi imala poboljšane karakteristike u odnosu na wild type