Coarse‐grained models for frontal photopolymerization with evolving conversion profile

We introduce a series of ‘minimal’ models to describe a common light‐driven directional solidification process, known as frontal photopolymerization (FPP ), focusing on experimental observables: the solidification kinetics, light attenuation and spatiotemporal monomer‐to‐polymer conversion. Specifically, we focus on FPP propagation that yields conversion profiles that are not invariant with time, and which cannot be simply described by the presence of mass or heat diffusion. The models are assessed against experimental data for the photopolymerization of a model trimethacrylate system. We find that the simplest model, comprising a single equation of motion for the conversion fraction ? and a generalized Beer–Lambert law, can only describe the experimental data by assuming an unphysical variation in optical absorption. Introducing a ? ‐dependent reaction constant K _eff is found to require a time dependence, regardless of the functional form in ? . We conclude by introducing a ‘minimal’ chemical model, which is based on a simple three‐step reaction scheme involving the spatiotemporal evolution of the photoinitiator fraction, relative fraction of radicals and monomer conversion fraction, that is able to capture the experimental data with a small number of parameters and under reasonable FPP assumptions. Our framework provides important predictive ability for ubiquitous solidification and patterning processes, including three‐dimensional printing, via photopolymerization. © 2017 Society of Chemical Industry     

Molecular Pathogenesis of NASH

Nonalcoholic steatohepatitis (NASH) is the main cause of chronic liver disease in the Western world and a major health problem, owing to its close association with obesity, diabetes, and the metabolic syndrome. NASH progression results from numerous events originating within the liver, as well as from signals derived from the adipose tissue and the gastrointestinal tract. In a fraction of NASH patients, disease may progress, eventually leading to advanced fibrosis, cirrhosis and hepatocellular carcinoma. Understanding the mechanisms leading to NASH and its evolution to cirrhosis is critical to identifying effective approaches for the treatment of this condition. In this review, we focus on some of the most recent data reported on the pathogenesis of NASH and its fibrogenic progression, highlighting potential targets for treatment or identification of biomarkers of disease progression.     

Quali-quantitative analysis of flavonoids of Cornus mas L. (Cornaceae) fruits

The methanol extract obtained from the ripe fruits of Cornus mas L. (Cornaceae) have been phytochemically studied. On the basis of HPLC–PDA–MS/MSⁿ analysis eight compounds have been identified as quercetin, kaempferol, and aromadendrin glycosilated derivatives. Three major compounds have been also isolated by Sephadex LH-20 column chromatography followed by HPLC and characterised by NMR spectroscopy. Moreover, LC–PDA–MS analysis of the red pigment revealed the presence of three anthocyanins. The quantitative analysis of all compounds was reported.     

Detection of low‐quality extra virgin olive oils by fatty acid alkyl esters evaluation: a preliminary and fast mid‐infrared spectroscopy discrimination by a chemometric approach

A set of eighty‐one extra virgin olive oils (EVOOs) was analysed according to the new quality parameters relative to the total amount of methyl and ethyl esters of fatty acids [Σ (FAMEs + FAEEs)] and the ratio between ethyl and methyl esters [ratio of FAEEs/FAMEs (RFF)]. Acquisition of the mid‐infrared spectra was also performed by Fourier Transform Infrared Spectroscopy (FT‐IR). Chemical and spectroscopy data were chemometrically elaborated, and FT‐IR coupled by Partial Least Square (PLS) methodology was developed. Results were statistically similar to official procedure in terms of analytical performance for Σ (FAMEs + FAEEs) and RFF in EVOOs: a good agreement between predicted and actual values on calibration data sets was found (0.98 and 0.83, respectively) and the limit of quantification was low enough (29.3 mg kg^?1) considering the actual limits for Σ (FAMEs+ FAEEs). This new approach, time‐saving and environmentally friendly, can be considered as a useful tool for screening procedures.     

Application of a spectroscopic method to estimate the olive oil oxidative status

A rapid Fourier transformed infrared (FTIR) attenuated total reflectance (ATR) spectroscopic method coupled with partial least squares (PLS), was developed to estimate the oxidation degree of extra virgin olive oil (EVOO). The reference values of EVOO oxidation for the FTIR calibration were obtained by the specific absorptions at 232 and 270 nm, due to the presence of conjugated diene (CD) and conjugated triene (CT) groups, as monitored by the UV spectrophotometric determination. Specific washing procedures were applied to the EVOO to obtain EVOOP and EVOOTP samples, without phenolic compounds and without tocopherols and phenols, respectively. To obtain different oxidation degrees covering wide CD and CT ranges, EVOO, EVOOP, and EVOOTP samples were subjected to a forced oxidation at 60°C for 20 days and aliquots of the oils were daily analyzed. Regression of the FTIR/PLS‐predicted CD and CT of individual oxidized oils EVOO, EVOOP, EVOOTP, and all combined oils (EVOOALL) against UV–Visible reference values demonstrated the good quality of the models in terms of R² and RMSECV values. The results of the study indicated that a strong correlation existed between FTIR and UV–Visible peak intensities. Practical applications: The FTIR‐ATR method coupled with PLS elaboration was developed and applied to predict the oxidation degree of EVOO samples with considerable advantages in terms of simplicity, analysis time, and solvent consumption as compared to the standard method. Moreover, suitable adjustments of the equipment could permit a rapid control at‐line in oil sector.