physical and theoretical chemistry

The impact of aging on cardio and cerebrovascular diseases

A growing number of evidences report that aging represents the major risk factor for the development of cardio and cerebrovascular diseases. Understanding Aging from a genetic, biochemical and physiological point of view could be helpful to design a better medical approach and to elaborate the best therapeutic strategy to adopt, without neglecting all the risk factors associated with advanced age. Of course, the better way should always be understanding risk-to-benefit ratio, maintenance of independence and reduction of symptoms.

Cellular and molecular mechanisms mediated by recPrP C involved in the neuronal differentiation process of mesenchymal stem cells

Human Dental Pulp Stem Cells (hDPSCs) represent a type of adult mesenchymal stem cells that have the ability to differentiate in vitro in several lineages such as odontoblasts, osteoblasts, chondrocytes, adipocytes and neurons. In the current work, we used hDPSCs as the experimental model to study the role of recombinant prion protein 23–231 (recPrP C ) in the neuronal differentiation process, and in the signal pathway activation of ERK 1/2 and Akt.

STAT3, a hub protein of cellular signaling pathways, is triggered by β-hexaclorocyclohexane

Background: Organochlorine pesticides (OCPs) are widely distributed in the environment and their toxicity is mostly associated with the molecular mechanisms of endocrine disruption. Among OCPs, particular attention was focused on the effects of β-hexaclorocyclohexane (β-HCH), a widely common pollutant. A detailed epidemiological study carried out on exposed population in the “Valle del Sacco” found correlations between the incidence of a wide range of diseases and the occurrence of β-HCH contamination.

STAT3 post-translational modifications drive cellular signaling pathways in prostate cancer cells

STAT3 is an oncoprotein overexpressed in different types of tumors, including prostate cancer (PCa), and its activity is modulated by a variety of post-translational modifications (PTMs). Prostate cancer represents the most common cancer diagnosed in men, and each phase of tumor progression displays specific cellular conditions: inflammation is predominant in tumor's early stage, whereas oxidative stress is typical of clinically advanced PCa.

Analysis of gut microbiota in rheumatoid arthritis patients. Disease-related dysbiosis and modifications induced by etanercept

A certain number of studies were carried out to address the question of how dysbiosis could affect the onset and development of rheumatoid arthritis (RA), but little is known about the reciprocal influence between microbiota composition and immunosuppressive drugs, and how this interaction may have an impact on the clinical outcome. The aim of this study was to characterize the intestinal microbiota in a groups of RA patients treatment-naïve, under methotrexate, and/or etanercept (ETN).

The mechanism of NO and N2O decomposition catalyzed by short-distance Cu(I) pairs in Cu-ZSM-5: A DFT study on the possible role of NO and NO2in the [Cu–O–Cu]2+active site reduction

The reactivity between NO and the oxidized form of a short-distance dinuclear Cu-ZSM-5 catalyst (ZCu2O) was investigated. ZCu2O, which contains the [Cu–O–Cu]2+bridge coordinated at the opposite T11 positions of the M6 ring of ZSM-5, is obtained by the spin-forbidden decomposition of N2O on the reduced form of the catalyst, ZCu2, with an activation energy of about 18 kcal mol−1. The further addition of NO to the [Cu–O–Cu]2+unit of ZCu2O occurs in the doublet state without activation energy and gives NO2.

Galectin-3. One molecule for an alphabet of diseases, from A to Z

Galectin-3 (Gal-3) regulates basic cellular functions such as cell–cell and cell–matrix interactions, growth, proliferation, differentiation, and inflammation. It is not surprising, therefore, that this protein is involved in the pathogenesis of many relevant human diseases, including cancer, fibrosis, chronic inflammation and scarring affecting many different tissues. The papers published in the literature have progressively increased in number during the last decades, testifying the great interest given to this protein by numerous researchers involved in many different clinical contexts.

Undervalued N3 coordination revealed in the cisplatin complex with 2'-deoxyadenosine-5'-monophosphate by a combined IRMPD and theoretical study

The complex obtained by the reaction of cisplatin and 2?-deoxyadenosine-5?-monophosphate (5?-dAMP) in water has been isolated and detected by electrospray ionization mass spectrometry. The so-formed cis-[PtCl(NH3)2(5?-dAMP)]+ complex has been studied in detail by infrared multiple photon dissociation (IRMPD) spectroscopy in two spectral ranges, namely, 700–1900 and 2800–3800 cm–1, backed by quantum-chemical calculations at the B3LYP/LACV3P/6-311G** level of theory.

Enantioselective synthesis and X-ray structure of (+)((4aS,5S,8aS)-5,8a-Dimethyl-7-methyleneoctahydro-2H-spiro[naphthalene-1,2′-[1,3]dioxolan]-5-yl)methyl-4-iodobenzoate

The d and l amino acid mediated enantioselective intramolecular aldol reaction of 4-((1-methyl-2,6-dioxo-cyclohexyl)methyl)-pent-4-enal 1 leading, after dehydration, to (-)-(R) and (+)-(S) 4a-methyl-3-methylene-5-oxo-2,3,4,4a,5,6,7,8-octahydro-naphthalene-1-carbaldehyde 2 was explored. It was found that (-)-(R) carbaldehyde 2 is enantioselectively formed in the presence of l-amino acids while (+)-(S) carbaldehyde 2 is enantioselectively formed in the presence of d-amino acids. (-)-(R) Carbaldehyde 2 was then transformed into (+)-22.

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