Search results for "Activity"

Synthesis, structural studies and reactivity of vanadium complexes with tridentate (OSO) ligand

2007

The direct reaction between [VCl(3)(thf)3] or [VO(OEt)3] and 2,2'-thiobis{4-(1,1,3,3-tetramethyl-butyl)phenol (tbopH(2)) leads to the formation of [V(2)(micro-tbop-kappa(3)O,S,O)2Cl(2)(CH(3)CN)(2)] (1).4CH(3)CN or [V(2)(micro-OEt)2(O)2(tbop-kappa(3)O,S,O)2] (2), respectively, in high yield. Compounds 1 and 2 were characterized by chemical and physical techniques including X-ray crystallography and variable temperature magnetic susceptibility studies (J = -29.1 cm(-1)) for 1. Complexes 1 and 2 were supported on MgCl2 and when activated with aluminium alkyls, were found to effectively polymerize ethene to produce polyethylene with a narrow molecular weight distribution M(w)/M(n) approximately…

Synthesis of Combretastatin A-4 and 3′-Aminocombretastatin A-4 derivatives with Aminoacid Containing Pendants and Study of their Interaction with Tub…

2020

Natural product combretastatin A-4 (CA-4) and its nitrogenated analogue 3&prime

Anti-ETAR and suPAR as markers of disease activity in renal ANCA-associated vasculitis.

2020

Purpose In anti-neutrophil cytoplasmic antibody (ANCA)-associated vasculitis (AAV), there is a lack of reliable biomarkers of disease activity. The aim of the study was to evaluate soluble urokinase plasminogen activator receptor (suPAR) and anti-endothelin-1 type A receptor (anti-ETAR) antibodies levels in active phase and remission of AAV. Patients and methods We enrolled 60 patients (median age 63.0 years) with renal AAV into this study. Plasma suPAR, urine suPAR (expressed as urine suPAR/creatinine ratio) and serum anti-ETAR antibodies were assayed by ELISA. Disease activity was assessed using Birmingham Vasculitis Activity Score (BVAS) and patients were divided into 2 subgroups based o…

Identification and optimization of small molecule antagonists of vasoactive intestinal peptide receptor-1 (VIPR1).

2012

Identification, synthesis and structure-activity relationship of small-molecule VIPR1 antagonists encompassing two chemical series are described.

Emulsions based on fatty acid from vegetable oils for cosmetics

2022

Vegetable oils are sources of saturated, monounsaturated and polyunsaturated fatty acids. In this work, we studied the suitability of a mixture of vegetable oils and some fatty acids (similar to the those of the human skin) as a cosmetic emulsion. Hypericum (Hypericum perforatum L.) – 1 %, thistle (Silybum marianum (L.) Gaertn.) – 42 %, linen (Línum usitatíssimum L.) – 1.1 %, wheat germ (Triticum aestivum L.) – 1 %, sesame (Sésamum índicum L.) – 1 %, mustard (Sinápis álba L.) – 2%, pumpkin (Cucúrbita p é po L.) – 5 %, – were selected as vegetable oils. The emulsion based on the proposed mixture of vegetable oils has a higher antioxidant activity (1.623 OD) compared with that based on minera…

Always on the move? Measured physical activity of 3-year-old preschool children

2015

QSPR with descriptors based on averages of vertex invariants. An artificial neural network study

2014

New type of indices, the mean molecular connectivity indices (MMCI), based on nine different concepts of mean are proposed to model, together with molecular connectivity indices (MCI), experimental parameters and random variables, eleven properties of organic solvents. Two model methodologies are used to test the different descriptors: the multilinear least-squares (MLS) methodology and the Artificial Neural Network (ANN) methodology. The top three quantitative structure–property relationships (QSPR) for each property are chosen with the MLS method. The indices of these three QSPRs were used to train the ANNs that selected the best training sets of indices to estimate the evaluation sets of…

QSPR/QSAR Studies of 2-Furylethylenes Using Bond-Level Quadratic Indices and Comparison with Other Computational Approaches

2017

The recently introduced, non-stochastic and stochastic quadratic indices (Marrero-Ponce <em>et al. J. Comp. Aided Mol. Des.</em> 2006, 20, 685-701) were applied to QSAR/QSPR studies of heteroatomic molecules. These novel bond-based molecular descriptors (MDs) were used for the prediction of the partition coefficient (log P), and the antibacterial activity of 34 derivatives of 2-furylethylenes. Two statistically significant QSPR models using non-stochastic and stochastic bond-based quadratic indices were obtained (R<sup>2</sup> = 0.971, s = 0.137 and R<sup>2</sup> = 0.986, s = 0.096). These models showed good stability to data variation in leave-one-out (L…

The effects of a 2-year physical activity and dietary intervention on plasma lipid concentrations in children: the PANIC Study

2020

Funder: Opetus- ja Kulttuuriministeriö; doi: http://dx.doi.org/10.13039/501100003126

Analytical chemistry on many-center chiral compounds based on vibrational circular dichroism: Absolute configuration assignments and determination of…

2019

The absolute configuration of a chiral molecule is key to its biological activity. Being able to find out what this configuration is, is thus crucial for a wide range of applications. The difficulties associated with such a determination steeply rise as the number of chiral centers in a given compound becomes larger. Concurrently, it becomes increasingly more challenging to determine the levels and identity of potential stereochemical contaminants in a given sample with one and the same technique, leading in practice to extensive and laborious efforts employing multiple analytical techniques. Here, experimental and theoretical studies based on Vibrational Circular Dichroism (VCD) are presen…