Evaluation of some systemic inflammatory biomarkers in canine malignant mammary tumors

The aim of this study is to investigate whether neutrophil-to-lymphocyte ratio (NLR), lymphocyte-to-monocyte ratio (LMR), platelet-to-lymphocyte ratio (PLR), systemic immune-inflammation index (SII), albumin-to-globulin ratio (AGR), and prognostic nutritional index (PNI) parameters could be used as biomarkers for canine malignant mammary tumors (MMTs), and the changes in these parameters according to different tumor (T), lymph node (N), and metastasis (M) stages (TNM I-II-III, TNM IV, TNM V) and the number of affected mammary glands (single, multiple). Thirty-seven with MMT and 20 healthy dogs were used in this study. Complete blood count and biochemistry analysis were performed in all dogs. Tumor material is removed by tru-cut and sent to the pathology laboratory for diagnosis. NLR, PLR, and SII values increased, and LMR and PNI values decreased in dogs with MMT. Median NLR values increased and median LMR and PNI values decreased as the TNM stage progressed. In dogs with a single MMT, median NLR, and PLR values were found to be lower than in dogs with multiple MMTs, and median LMR, SII, AGR, and PNI values were higher. The present results indicated that NLR, LMR, PLR, SII, and PNI parameters could be used as biomarkers for canine MMT. Also, NLR, LMR, PLR, SII, PNI, and AGR parameters may be valuable biomarkers that reveal the degree of systemic immune response according to different TNM stages and the number of affected mammary glands

Synthesis, structural and spectroscopic evaluations and nonlinear optical properties of 3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioic O-acid

In this study, we report a combined experimental and theoretical study on 3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioic 0-acid (C18H18N2O3S) molecule. The compound crystallizes in the trigonal space group R-3 with a = b = 27.7151(12) angstrom, c = 12.4866(6) angstrom. alpha = beta = 90.0 degrees, gamma = 120.00 degrees and Z = 18. The crystal packing is stabilized by O-H center dot center dot center dot O and O-H center dot center dot center dot S intermolecular hydrogen bonds. These hydrogen bond interactions are also proved by NBO analysis. A detailed spectroscopic investigation is performed by the application of FT-IR and FT-NMR in addition to the theoretical approaches. Small energy gap between the frontier molecular orbitals is responsible for the nonlinear optical activity of the title molecule. (C) 2014 Elsevier B.V. All rights reserved

Antimicrobial activities, DNA interactions, spectroscopic (FT-IR and UV-Vis) characterizations, and DFT calculations for pyridine-2-carboxylic acid and its derivates

In this paper, pyridine-2-carboxylic acid, also known as picolinic acid (pic), and its two derivate, 4-methoxy-pyridine-2-carboxylic acid (4-Mpic) and 4-chloro-pyridine-2-carboxylic acid (4-Clpic) have been characterized by FT-IR and UV-Vis spectroscopy techniques as well as DFT calculations. B3LYP level of Density Functional Theory (DFT) method was used to obtain ground state geometries, vibration wavenumbers, first order hyperpolarizabilities and molecular electrostatic potential (MEP) surfaces for pic, 4Clpic and 4Mpic. The electronic absorption wavelengths and HOMO-LUMO energies were investigated by time dependent B3LYP (TD-B3LYP) level with the conductor-like polarizable continuum model (CPCM). The effects of Cl atom and OCH3 group on HOMO-LUMO energy gaps and first order hyper-polarizability parameters of pic, 4Clpic and 4Mpic molecules were examined. All molecules were screened for their antibacterial activities against Gram-positive and Gram-negative bacteria and for their antifungal activities against yeast strains by using minimal inhibitory concentration method (MIC). All compounds (pic, 4Mpic and 4Clpic) have been found to be very active against to the Gram (+) and Gram (-) bacteria. The DNA interactions of pic, 4CIpic and 4Mpic were analyzed by molecular docking simulations, and the interaction of the 4Mpic molecule with DNA is found to be higher than 4Clpic and pic. (c) 2017 Elsevier B.V. All rights reserved