Tuning the spin-crossover properties of [Fe] metal-organic cages.

A computational study on the interplay between ligand functionalization and guest effects on the transition temperature () in the [Fe(L)]@X (L = 1,3-bis-(3-(pyridin-2-yl)-1-pyrazol-5-yl)benzene, X = H, F, Cl, Br, I and [BF], R = H, F, or CH) family of metal-organic cages (MOCs) is presented. Our results indicate that ligand functionalization with electron-donating or electron-withdrawing groups can significantly impact the as expected, while the guest effect in lowering the has a linear correlation with the increasing guest size. More importantly, small guests can move away from the center of the cavity, thus enhancing the two-step characteristic of the transition.

Controlling the spin-crossover behavior of the [Cr(indenyl)] family ligand functionalization.

In this work, a computational method to study the spin-crossover (SCO) behavior of the [Cr(n-Meindenyl)2] family was carried out. Using the TPSSh/Def2TZVP method with the GD3BJ dispersion correction scheme, we computed the thermochemistry and transition temperatures (T1/2) for all members of this family, which are in excellent agreement with the available experimental data. Moreover, the computed data allow us to build a model that describes the effect of functionalizing the indenyl ligand in different positions on the spin-state energy gap and transition temperature.

Oxidative and Nitrosative Pattern in Circulating Leukocytes of Very Early/Early Hepatocellular Carcinoma Patients.

Background/aim: In chronic liver disease, various immune cell subsets exert pro or anti-tumour effects by releasing reactive oxygen and nitrogen species (ROS, RNS). Here, we evaluated the oxidative and nitrosative pattern in peripheral blood leukocyte subpopulations of early hepatocellular carcinoma (HCC) patients compared with HCC-free cirrhotic patients.

Materials And Methods: Venous blood samples from 18 HCC-free cirrhotic patients and 17 early stage HCC patients were collected to determine ROS, RNS and reduced glutathione levels in isolated leukocytes analyzed by flow cytometry.

Omics in Zebrafish Teratogenesis.

The genome revolution represents a complete change on our view of biological systems. The quantitative determination of changes in all major molecular components of the living cells, the "omics" approach, opened whole new fields for all health sciences. Genomics, transcriptomics, proteomics, metabolomics, and others, together with appropriate prediction and modeling tools, will mark the future of developmental toxicity assessment both for wildlife and humans.

Efficacy of the retreatment of hepatitis C virus infections after liver transplantation: role of an aggressive approach.

A sustained virological response (SVR) is achieved by 30% of naive liver transplantation (LT) recipients treated with pegylated interferon (PEG-IFN) and ribavirin (RBV). Almost no data are available about retreatment. The aim of this study was to assess the efficacy, tolerability, and SVR predictors of retreatment.

Anemia is not predictive of sustained virological response in liver transplant recipients with hepatitis C virus who are treated with pegylated interferon and ribavirin.

In the immunocompetent setting, antiviral therapy-related anemia has recently been shown to be associated with a sustained virological response (SVR). Our goal was to assess whether this is also true for liver transplantation (LT). We included 160 LT patients with recurrent hepatitis C virus (HCV) who were treated with pegylated interferon and ribavirin (RBV) between 2002 and 2010; 76% of the patients were men, the median age of the patients was 56 years (range = 33-75 years), 63% had advanced fibrosis, and 86% were infected with HCV genotype 1a or 1b.

Genetic, endocrine, and environmental components of sex determination and differentiation in the European sea bass (Dicentrarchus labrax L.).

The European sea bass (Dicentrarchus labrax L.) is a differentiated gonochoristic marine teleost of the family Moronidae (closely related to the hermaphrodites of the family Serranidae), where many juvenile males exhibit intratesticular oocytes, suggesting a certain sexual lability. Like most fish, the sea bass does not have recognizable heterochromosomes or sex-linked markers but there are clear parental effects on the sex ratios.