Promoting antihepatocellular carcinoma activity against human HepG2 cells via pyridine substituted palladium complexes: in vitro evaluation and QSAR studies.

Bis(4-(4-nitrobenzyl)pyridine)dichloropalladium(II), [PdCl2L12], bis(2-amino-5-bromopyridine)dichloropalladium(II), [PdCl2L22], bis(2,4-dimethylpyridine)dichloropalladium(II), [PdCl2L32], bis(3,4-dimethylpyridine)dichloropalladium(II), [PdCl2L42] were prepared. The spectroscopic techniques (FT-IR and 1H-NMR, 13C-NMR) were used to characterize the compounds. Theoretical calculations were used to validate the experimental results. The LanL2DZ-based DFT/B3LYP method was used to define the most stable possible molecular structure for the complexes. Potential energy distribution analysis was performed to determine the theoretical vibration bands of the complexes. Molecular electrostatic potential maps, boundary molecular orbitals and Mulliken charge distribution were used to determine the active sites of the molecules. The interaction mechanisms between the complexes and liver cancer protein were investigated via molecular docking. The study on the antiproliferative effects of these complexes on hepatocellular carcinoma cells (HepG2) showed that they are potent candidates for use against this liver cancer cell line.

Development of a safety protocol for training and using SARS-CoV-2 detection dogs: A pilot study.

Medical detection dogs have potential to be used to screen asymptomatic patients in crowded areas at risk of epidemics such as the SARS-CoV-2 pandemic. However, the fact that SARS-CoV-2 detection dogs are in direct contact with infected people or materials raises important concerns due to the zoonotic potential of the virus. No study has yet recommended a safety protocol to ensure the health of SARS- CoV-2 detection dogs during training and working in public areas. This study sought to identify suitable decontamination methods to obtain nonpathogenic face mask samples while working with SARS-CoV-2 detection dogs and to investigate whether dogs were able to adapt themselves to other decontamination procedures once they were trained for a specific odor. The present study was designed as a four-phase study: (a) Method development, (b) Testing of decon- tamination methods, (c) Testing of training methodology, and (d) Real life scenario. Surgical face masks were used as scent samples. In total, 3 dogs were trained. The practical use of 3 different decontam- ination procedures (storage, heating, and UV-C light) while training SARS-CoV-2 detection dogs were tested. The dog trained for the task alerted to the samples inactivated by the storage method with a sensitivity of100 % and specificity of 98.28 %. In the last phase of this study, one dog of 2 dogs trained, alerted to the samples inactivated by the UV-C light with a sensitivity of 91.30% and specificity of 97.16% while the other dog detected the sample with a sensitivity of 96.00% and specificity of 97.65 %.

Novel benzoylthiourea derivatives had differential anti-inflammatory photodynamic therapy potentials on in vitro stimulated mammalian macrophages.

Novel benzoylthioureas, N-((5-chloropyridin-2yl)carbamothioyl)benzamide, (HL1), N-((2-chloropyridin-3yl)carbamothioyl)benzamide, (HL2), N-((5-bromopyridin-2yl)carbamothioyl)benzamide, (HL3) and N-(Naphthalene-1-yl(phenyl)carbamothioyl)benzamide, (HL4), were synthesized. Their characterizations were made by FT-IR,1H NMR and 13C NMR spectrophotometric analysis. Single crystal X-ray diffraction measurements were conducted to determine the crystal structure of HL1 and HL4.  The HL1 crystallization conditions are: in the monoclinic crystal system with P21/c space group, Z = 2, a = 8.118(2) Å, b = 12.056(3) Å, c = 13.753(4) Å. HL4crystallization conditions are: in the orthorhombic crystal system with Pbca space group, Z = 8, a = 19.597(9) Å, b = 8.270(4) Å, c = 24.299(11) Å. Investigation of photodynamic and antiinflamatory effects of these compounds revealed that they are potent adducts. Using these derivatives, mammalian macrophages were stimulated with LPS to test their anti-inflammatory activity. Based on pro-inflammatory cytokine production levels, the photodynamic anti-inflammatory activity of these adducts were found to differ. Our results showedthat benzoylthioureas can be used as potential photodynamic therapy agents to suppress the excessive inflammatory reactions encountered in autoimmune and inflammatory disorders.

Synergetic effects of Fe3+ doped spinel Li4Ti5O12 nanoparticles on reduced graphene oxide for high surface electrode hybrid supercapacitors.

In this work, reduced graphene oxide (rGO) based electrode materials were developed to achieve a hybrid supercapacitor (SC) function. Therefore, several synthesis methods were developed to prepare a cost effective and environmentally friendly rGO. Additionally, to maintain the high surface area, spinel lithium titanate (sLTO) nanoparticles (NPs) were synthesized and deposited on the rGO surface to inhibit the restacking of the rGO layers on graphite. Furthermore, the adequate Fe-doping of sLTO increased the ionic conductivity and the intercalation capacity, which is necessary for a SC performance. The sLTO/rGO-composites were electrochemically analysed by chronopotentiometry and electrochemical impedance spectroscopy (EIS) to determine the stability during charge/discharge cycling and the capacity, respectively. To overcome the drawback of LTO's low conductivity values, its value has been drastically increased by Fe-doping. The results demonstrated the remarkable cycling performance of the Fe:LTO/rGO composite as well as a higher capacity compared to LTO/rGO and pure rGO-electrodes. The thermal stability, degradation and weight loss of the sLTO/rGO in the temperature range between 20 °C and 800 °C were investigated by thermogravimetry (TG)/DTA. As a conclusion, it can be stated that, increasing the ionic conductivity by Fe-doping drastically increases the hybrid capacity of the SC electrodes.

Green Nanotechnology for Synthesis and characterization of poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) nanoparticles for sustained bortezomib release using supercritical CO2 assisted particle formation combined with electrodeposition.

Carbon dioxide assisted particle formation combined with electrospraying using supercritical CO2 (scCO2) as an aid (Carbon Dioxide Assisted Nebulization-Electrodeposition, CAN-ED) was used to produce Bortezomib loaded poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) P(3HB-co-3HHx) nanoparticles for sustained release. The morphology and structure of the prepared nanoparticles were investigated by SEM, TEM and FT-IR spectroscopy. Average diameter of particles obtained was 155nm and the average core sizes of P(3HB-co-3HHx) nanoparticles were between 6 and 13nm. The drug loading capacity, drug release and stability of Bortezomib loaded P(3HB-co-3HHx) nanoparticles were analyzed. The maximum loading capacity was achieved at pH=6.0 in phosphate buffer (K2HPO4/KH2PO4). It was found that temperature did not affect the stability of Bortezomib loaded nanoparticles and it was good both at 37°C and 4°C. This study pointed out that CAN-ED is a green method to produce P(3HB-co-3HHx) nanoparticles for pH responsive targeting of Bortezomib especially to parts of the body where size exclusion is not crucial.

4-Chloro-N-[N-(6-methyl-2-pyrid-yl)car-bamo-thio-yl]benzamide.

In the title compound, C(14)H(12)ClN(3)OS, the short exocyclic N-C bond lengths indicate resonance in the thiourea part of the mol-ecule. The title compound is stabilized by an intra-molecular N-H⋯N hydrogen bond, which results in the formation of a six-membered ring. In addition, it shows a synperiplanar conformation between the thio-carbonyl group and the pyridine group. Inter-molecular N-H⋯S and C-H⋯O inter-actions are also present.