Molecular structure and granule morphology of native and heat‐moisture‐treated pinhão starch

Pinhão seed is an unconventional source of starch and the pines grow up in native forests of southern Latin America. In this study, pinhão starch was adjusted at 15, 20 and 25% moisture content and heated to 100, 110 and 120 °C for 1 h. A decrease in λ max (starch/iodine complex) was observed as a result of increase in temperature and moisture content of HMT. The ratio of crystalline to amorphous phase in pinhão starch was determined via Fourier transform infra red by taking 1045/1022 band ratio. A decrease in crystallinity occurred as a result of HMT. Polarised light microscopy indicated a loss of birefringence of starch granules under 120 °C at 25% moisture content. Granule size distribution was further confirmed via scanning electron microscopy which showed the HMT effects. These results increased the understanding on molecular and structural properties of HMT pinhão starch and broadened its food and nonfood industrial applications.     

On Iron Metabolism and Its Regulation

Iron is a critical metal for several vital biological processes. Most of the body’s iron is bound to hemoglobin in erythrocytes. Iron from senescent red blood cells is recycled by macrophages in the spleen, liver and bone marrow. Dietary iron is taken up by the divalent metal transporter 1 (DMT1) in enterocytes and transported to portal blood via ferroportin (FPN), where it is bound to transferrin and taken up by hepatocytes, macrophages and bone marrow cells via transferrin receptor 1 (TfR1). While most of the physiologically active iron is bound hemoglobin, the major storage of most iron occurs in the liver in a ferritin-bound fashion. In response to an increased iron load, hepatocytes secrete the peptide hormone hepcidin, which binds to and induces internalization and degradation of the iron transporter FPN, thus controlling the amount of iron released from the cells into the blood. This review summarizes the key mechanisms and players involved in cellular and systemic iron regulation.     

Binding of the tautomeric forms of isoniazid-NAD adducts to the active site of the Mycobacterium tuberculosis enoyl-ACP reductase (InhA): a theoretical approach

The front-line antituberculosis drug isoniazid (INH) inhibits InhA, the NADH-dependent fatty acid biosynthesis enoyl ACP-reductase from Mycobacterium tuberculosis, via formation of covalent adducts with NAD (INH-NAD adducts). While ring tautomers were found the main species formed in solution, only the 4S chain INH-NAD tautomer was evidenced in the crystallized InhA:INH-NAD complex. In this study we attempted to explore the modes of interaction and energy binding of the different isomers placed in the active site of InhA with the help of various molecular modelling techniques. Ligand and enzyme models were generated with the help of the Vega ZZ program package. Resulting ligands were then docked into the InhA active site individually using computational automated docking package AUTODOCK 3.0.5. The more relevant docked conformations were then used to compute the interaction energy between the ligands and the InhA cavity. The AM1 Hamiltonian and the QM/MM ONIOM methodologies were used and the results compared. The various tautomers were found docked in almost the same place where INH-NAD was present as predicted by earlier X-ray crystallographic studies. However, some changes of ligand conformation and of the interactions ligand-protein were evidenced. The lower binding energy was observed for the 4S chain adduct that probably represents the effective active form of the INH-NAD adducts, as compared to the 4R epimer. The two 4S,7R and 4R,7S ring tautomers show intermediate and similar binding energies contrasting with their different experimental inhibitory potency on InhA. As a possible explanation based on calculated conformations, we formulated the hypothesis of an initial binding of the two ring tautomers to InhA followed by opening of only the ring hemiamidal 4S,7R tautomer (possibly catalyzed by Tyr158 phenolate basic group) to give the 4S chain INH-NAD tight-binding inhibitor. The predictions of ligand-protein interactions at the molecular level can be of primary importance in elucidating the mechanisms of action of isoniazid and InhA-related resistances, in identifying the effective mycobactericidal entities and, in further step, in the design of a new generation of antitubercular drugs.     

Classification of dissimilarity data with a new flexible Mahalanobis-like metric

Statistical pattern recognition traditionally relies on feature-based representation. For many applications, such vector representation is not available and we only possess proximity data (distance, dissimilarity, similarity, ranks, etc.). In this paper, we consider a particular point of view on discriminant analysis from dissimilarity data. Our approach is inspired by the Gaussian classifier and we defined decision rules to mimic the behavior of a linear or a quadratic classifier. The number of parameters is limited (two per class). Numerical experiments on artificial and real data show interesting behavior compared to Support Vector Machines and to kNN classifier: (a) lower or equivalent error rate, (b) equivalent CPU time, (c) more robustness with sparse dissimilarity data.     

Gauging food and nutritional care quality in hospitals

ABSTRACT: BACKGROUND: Food and nutritional care quality must be assessed and scored, so as to improve health institution efficacy. This study aimed to detect and compare actions related to food and nutritional care quality in public and private hospitals. METHODS: Investigation of the Hospital Food and Nutrition Service (HFNS) of 37 hospitals by means of structured interviews assessing two quality control corpora, namely nutritional care quality (NCQ) and hospital food service quality (FSQ). HFNS was also evaluated with respect to human resources per hospital bed and per produced meal. RESULTS: Comparison between public and private institutions revealed that there was a statistically significant difference between the number of hospital beds per HFNS staff member (p = 0.02) and per dietitian (p < 0.01). The mean compliance with NCQ criteria in public and private institutions was 51.8% and 41.6%, respectively. The percentage of public and private health institutions in conformity with FSQ criteria was 42.4% and 49.1%, respectively. Most of the actions comprising each corpus, NCQ and FSQ, varied considerably between the two types of institution. NCQ was positively influenced by hospital type (general) and presence of a clinical dietitian. FSQ was affected by institution size: large and medium-sized hospitals were significantly better than small ones. CONCLUSIONS: Food and nutritional care in hospital is still incipient, and actions concerning both nutritional care and food service take place on an irregular basis. It is clear that the design of food and nutritional care in hospital indicators is mandatory, and that guidelines for the development of actions as well as qualification and assessment of nutritional care are urgent.     

Assessment of Forchheimer's Equation to Predict the Permeability of Ceramic Foams

Correct estimation of the pressure drop in filtration processes that involve fluid velocity variations is of major importance, because it allows the filtration rate and/or the energy consumed on fluid flow to be more accurately controlled. Permeability of porous filters has been often described by Forchheimer's equation, which establishes a nonlinear dependence between pressure drop and fluid velocity. Two constants, k ₁ and k ₂, dependent only on the medium, quantify the viscous and inertial effects on the pressure drop curve. In this work, experimental data of airflow through 10 pores per linear inch ceramic foam filters are used to show that a single sample may have completely distinct permeability constants depending on the data range chosen for analysis. The Darcian permeability constant k ₁ displays higher variation than the non-Darcian permeability constant k ₂. The conclusion is that special attention must be taken to represent permeability of highly porous structures in a large velocity range. The predictability of Forchheimer's equation generally worsens when less data are included in the curve fitting, particularly at low velocities. Careful consideration should be made if constants k ₁ and k ₂ are intended to be used for permeability estimation beyond the fitting range.     

A novel pectin material: extraction, characterization and gelling properties

A novel pectin was acid extracted from chickpea husk (CHP). CHP presented a 67% (w/w) of galacturonic acid, an intrinsic viscosity of 374 mL/g and a viscosimetric molecular weight of 110 kDa. Fourier transform infrared spectroscopy spectrum of CHP indicated a degree of esterification of about 10%. The CHP-calcium system formed ionic gels with a storage (G') modulus of 40 Pa and gel set time (G' > G″) of 3 min at 1% (w/v), and a G' of 131 Pa and gel set time of 1 min at 2% (w/v). The G' of CHP gels was not greatly affected by temperature. The results attained suggest that chickpea husk can be a potential source of a gelling pectin material.     

Poly(3-hydroxybutyrate)-based hybrid materials with photocatalytic and magnetic properties prepared by electrospinning and electrospraying

Several types of nanostructured hybrid fibrous materials containing poly(3-hydroxybutyrate), nanoparticles from iron oxide (Fe₃O₄) and titanium dioxide (TiO₂), and chitosan or chitosan oligosaccharides (COS) were prepared. The design of the surface of the materials and their magnetic properties were tailored purposefully by conjunction of electrospinning and electrospraying. The surface and bulk morphologies of the obtained nanostructured materials were examined by SEM. Further, the distribution of Fe₃O₄ and TiO₂ nanoparticles was estimated by TEM analyses, as well as their surface chemical composition was determined by XPS. It was found that the simultaneous electrospinning and electrospraying of Fe₃O₄/chitosan or TiO₂/COS dispersions resulted in uniform distribution of the nanoparticles along the length of the fibers, while electrospraying of the mixed Fe₃O₄/TiO₂/chitosan dispersion led to agglomerate formation. Furthermore, the nanostructured hybrid materials preserved the magnetic properties of Fe₃O₄ embedded therein. It was demonstrated that the hybrid materials of different designs displayed excellent photocatalytic activity under UV light irradiation against a model organic contaminant—methylene blue, even after threefold use of the materials.