Structural and functional stabilization of protein entities

XI Reunião Regional Nordeste da SBBq | 4th International Symposium in Biochemistry of Macromolecules and BiotechnologyStabilization of protein and protein-like molecules translates into preservation of both structure and functionality during storage and/or targeting, and such stabilization is mostly attained through establishment of a thermodynamic equilibrium with the (micro)environment. The basic thermodynamic principles that govern protein structural transitions and the interactions of the protein and/or peptide molecule with its (micro)environment will, therefore, be tackled. Protein stabilization is based upon dampening the molecular motions and, therefore, eliminating conformational transitions while the molecule is still in the native 3D (folded) state. The 3D structure of a protein molecule depends mostly on two types of interactions: intramolecular interactions between aminoacid moieties and intermolecular interactions with solute and/or solvent molecules present in its microenvironment. Stabilizing a biomolecule (aiming at preserving its function) involves dampening its molecular motions, and this can be achieved by reducing the chemical activity of the water present in its microenvironment, thus stabilizing both its structure and functionality. Recently, the simultaneous entrapment-stabilization of proteins and enzymes based on nanoencapsulation in a nanoemulsion (W/O/W) matrix with an hydrophilic core has started to gain momentum. Similarly to the stabilization mechanism of osmolytes, in nanoencapsulation the water activity is altered thus affecting the molecular motions of the proteins. Highlights will also be given to structural and functional stabilization of protein entities (viz. enzymes, (macro)peptides, (recombinant) proteins, and bacteriophages) by chemical methodologies. Modification of the biomolecules microenvironment via multipoint covalent attachment onto a solid surface followed by hydrophylic polymer coimmobilization, are some of the (latest) strategies that will be discussed.info:eu-repo/semantics/publishedVersio

On the Effects of Dissipative Turbulence on the Narrow Emission-Line Ratios in Seyfert Galaxies

We present a photoionization model study of the effects of micro-turbulence and dissipative heating on emission lines for number and column densities, elemental abundances, and ionizations typical for the narrow emission line regions (NLRs) of Seyfert galaxies. Earlier studies of NLR spectra generally found good agreement between the observations and the model predictions for most strong emission lines, such as [O III] $\lambda$5007, [O II] $\lambda$3727, [N II] $\lambda$6583, [Ne III] $\lambda$3869, and the H and He recombination lines. Nevertheless, the strengths of lines from species with ionization potentials greater than that of He$^{+}$(54.4 eV), e.g. N$^{+4}$ and Ne$^{+4}$, were often under-predicted. Among the explanations suggested for these discrepancies were (selectively) enhanced elemental abundances and contributions from shock heated gas. Interestingly, the NLR lines have widths of several 100 km s$^{-1}$, well in excess of the thermal broadening. If this is due to micro-turbulence, and the turbulence dissipates within the emission-line gas, the gas can be heated in excess of that due to photoionization. We show that the combined effects of turbulence and dissipative heating can strongly enhance N V $\lambda$1240 (relative to He II $\lambda$1640), while the heating alone can boost the strength of [Ne V] $\lambda$3426. We suggest that this effect is present in the NLR, particularly within $\sim$ 100 pc of the central engine. Finally, since micro-turbulence would make clouds robust against instabilities generated during acceleration, it is not likely to be a coincidence that the radially outflowing emission-line gas is turbulent.Comment: 29 oages, including 10 figures. Accepted for publication in the Astrophysical Journa

Spot-test identification and rapid quantitative sequential analysis of dipyrone

A qualitative spot-test and tandem quantitative analysis of dipyrone in the bulk drug and in pharmaceutical preparations is proposed. The formation of a reddish-violet color indicates a positive result. In sequence a quantitative procedure can be performed in the same flask. The quantitative results obtained were statistically compared with those obtained with the method indicated by the Brazilian Pharmacopoeia, using the Student's t and the F tests. Considering the concentration in a 100 µL aliquot, the qualitative visual limit of detection is about 5×10-6 g; instrumental LOD ≅ 1.4×10-4 mol L-1 ; LOQ ≅ 4.5×10-4 mol L-1.Um método spot-test qualitativo e seqüencialmente quantitativo é proposto para análise de dipirona em fármaco puro e em preparações farmacêuticas. A formação de coloração vermelho-violeta indica um resultado qualitativo positivo. Na seqüência, um procedimento quantitativo pode ser realizado no mesmo frasco. Os resultados quantitativos obtidos foram comparados estatisticamente com os resultados obtidos pelo método indicado pela Farmacopéia Brasileira, utilizando o teste t de Student e o teste F. Considerando a concentração em uma alíquota de 100 µL, o limite qualitativo visual de detecção foi de cerca 5×10-6 g; instrumentalmente o limite de detecção foi de LOD ≅ 1.4×10-4 mol L-1 e o limite de quantificação de LOQ ≅ 4.5×10-4 mol L-1.4146Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq

Recent Technological Developments on LGAD and iLGAD Detectors for Tracking and Timing Applications

This paper reports the last technological development on the Low Gain Avalanche Detector (LGAD) and introduces a new architecture of these detectors called inverse-LGAD (iLGAD). Both approaches are based on the standard Avalanche Photo Diodes (APD) concept, commonly used in optical and X-ray detection applications, including an internal multiplication of the charge generated by radiation. The multiplication is inherent to the basic n++-p+-p structure, where the doping profile of the p+ layer is optimized to achieve high field and high impact ionization at the junction. The LGAD structures are optimized for applications such as tracking or timing detectors for high energy physics experiments or medical applications where time resolution lower than 30 ps is required. Detailed TCAD device simulations together with the electrical and charge collection measurements are presented through this work.Comment: Keywords: silicon detectors, avalanche multiplication, timing detectors, tracking detectors. 8 pages. 8 Figure

A Multi-Wavelength Study of Sgr A*: The Role of Near-IR Flares in Production of X-ray, Soft γ\gamma-ray and Sub-millimeter Emission

(abridged) We describe highlights of the results of two observing campaigns in 2004 to investigate the correlation of flare activity in Sgr A* in different wavelength regimes, using a total of nine ground and space-based telescopes. We report the detection of several new near-IR flares during the campaign based on {\it HST} observations. The level of near-IR flare activity can be as low as $\sim0.15$ mJy at 1.6 $\mu$m and continuous up to about 40% of the total observing time. Using the NICMOS instrument on the {\it HST}, the {\it XMM-Newton} and CSO observatories, we also detect simultaneous bright X-ray and near-IR flare in which we observe for the first time correlated substructures as well as simultaneous submillimeter and near-IR flaring. X-ray emission is arising from the population of near-IR-synchrotron-emitting relativistic particles which scatter submillimeter seed photons within the inner 10 Schwarzschild radii of Sgr A* up to X-ray energies. In addition, using the inverse Compton scattering picture, we explain the high energy 20-120 keV emission from the direction toward Sgr A*, and the lack of one-to-one X-ray counterparts to near-IR flares, by the variation of the magnetic field and the spectral index distributions of this population of nonthermal particles. In this picture, the evidence for the variability of submillimeter emission during a near-IR flare is produced by the low-energy component of the population of particles emitting synchrotron near-IR emission. Based on the measurements of the duration of flares in near-IR and submillimeter wavelengths, we argue that the cooling could be due to adiabatic expansion with the implication that flare activity may drive an outflow.Comment: 48 pages, 12 figures, ApJ (in press

The Resolved Narrow Line Region in NGC4151

We present slitless spectra of the Narrow Line Region (NLR) in NGC4151 from the Space Telescope Imaging Spectrograph (STIS) on HST, and investigate the kinematics and physical conditions of the emission line clouds in this region. Using medium resolution (~0.5 Angstrom) slitless spectra at two roll angles and narrow band undispersed images, we have mapped the NLR velocity field from 1.2 kpc to within 13 pc (H_o=75 km/s/Mpc) of the nucleus. The inner biconical cloud distribution exhibits recessional velocities relative to the nucleus to the NE and approaching velocities to the SW of the nucleus. We find evidence for at least two kinematic components in the NLR. One kinematic component is characterized by Low Velocities and Low Velocity Dispersions (LVLVD clouds: |v| < 400 km/s, and Delta_v < 130 km/s). This population extends through the NLR and their observed kinematics may be gravitationally associated with the host galaxy. Another component is characterized by High Velocities and High Velocity Dispersions (HVHVD clouds: 400 130 km/s). This set of clouds is located within 1.1 arcsec (~70pc) of the nucleus and has radial velocities which are too high to be gravitational in origin, but show no strong correlation between velocity or velocity dispersion and the position of the radio knots. Outflow scenarios will be discussed as the driving mechanism for these HVHVD clouds.Comment: 38 pages, 14 figures, accepted by ApJ. For higher resolution images see http://www.pha.jhu.edu/~kaiser

Quantitative reflectance spot test for the determination of acetylsalicylic acid in pharmaceutical preparations

This paper describes a quantitative reflectance spot test procedure for the determination of acetylsalicylic acid (ASA) in pharmaceutical preparations. The method is based on the reaction of salicylic acid, obtained from the hydrolysis of ASA, with Fe(III) forming a deep blue-violet compound. Medicines containing ASA can be easily analyzed by the proposed method as it is not necessary to do any separation. The final mixture is placed on a sheet of filter paper, and the reflectance is directly measured. Nine commercial medicines containing acetylsalicylic acid were analyzed with the proposed method. The mean RSD was 0.9%. Results were compared with those obtained with the United States Pharmacopoeia recommended procedure (RSD 0.6%). The quantitative detection limit is 0.6 mg ASA in the working solution. For a degree of freedom n = 4 (n = n1+ n2 - 2) and a confidence coefficient a = 0.05 all the results agree under the tabulated t-Student test value (2.78).Este trabalho descreve um método para a determinação quantitativa de ácido acetilsalicílico (ASA) utilizando procedimento spot test e reflectância difusa. O método é baseado na formação do complexo de cor roxa intensa entre o ácido salicílico, obtido a partir da hidrólise alcalina do ASA, e íons Fe(III). O procedimento proposto permite a análise de medicamentos contendo ASA de forma fácil e simples, uma vez que não é necessário fazer separações. A reflectância da mistura final, colocada sobre um disco de papel de filtro, é medida diretamente. Foram analisados nove medicamentos comerciais contendo ASA cujos resultados apresentaram um desvio padrão relativo médio de 0,9%. O limite para a determinação quantitativa é de 0,6 mg de ASA na solução de trabalho. As análises feitas com o método proposto foram comparadas com outras análises, das mesmas amostras, segundo o procedimento recomendado pela United States Pharmacopoeia, onde se observou um desvio padrão relativo de 0,6%. Compararam-se os dois métodos utilizando-se o teste t de Student. Para um grau de liberdade n = 4 (n = n1 + n2 - 2) e um limite de confiança a = 0.05, onde t = 2,78, todos os resultados foram concordantes.327330Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES

Dense Molecular Gas Associated with the Circumnuclear Star Forming Ring in the Barred Spiral Galaxy NGC 6951

We present high resolution (3" - 5") observations of CO(1-0) and HCN(1-0) emission from the circumnuclear star forming ring in the barred spiral galaxy NGC 6951, a host of a type-2 Seyfert, using the Nobeyama Millimeter Array and 45 m telescope. We find that most of the HCN emission is associated with the circumnuclear ring, where vigorous star formation occurs. The HCN to CO integrated intensity ratio is also enhanced in the star forming ring; the peak value of HCN/CO ratio is 0.18, which is comparable to the ratio in the starbursts NGC 253 and M82. The formation mechanism of dense molecular gas has been investigated. We find that the shocks along the orbit crowding do not promote the formation of the dense molecular gas effectively but enhance the presence of low density GMCs. Instead, gravitational instabilities of the gas can account for the dense molecular gas formation. The HCN/CO ratio toward the Seyfert nucleus of NGC 6951 is a rather normal value (0.086), in contrast with other Seyferts NGC 1068 and M51 where extremely high HCN/CO value of ~ 0.5 have been reported.Comment: 33 pages, 17 figures, to appear in the Astrophysical Journa

Deformulation of a solid pharmaceutical form using computed tomography and X-ray fluorescence

Deformulation of medicines is of undeniable importance, since it can be utilized both to unravel the chemical composition of the excipients integrating a pharmaceutical formulation of a specific medicine and as an important tool to conduct morphometric studies of the formulation under study. Such strategy may be utilized in analytical studies aiming at quantifying the components of reference drugs, or in the identification of putative counterfeit pharmaceuticals. Deformulation makes use of physicochemical analysis tools to characterize, from the chemical point of view, the components integrating medicine pharmaceutical formulations and from the physical point of view, the morphological part of the pharmaceutical formulation. The techniques of computer tomography (SkyScan 1174 - Bruker microCT) and X-ray fluorescence analyses (using an X-ray source with W-anode from Hammatsu Photonics and Silicon Drift detector from Amptek) were successfully used in performing a process of deformulation of a solid pharmaceutical formulation of tablets, utilized herein as a model medicine for controlled drug release. The analytical methods used in this work, proved their effectiveness for the main goal of this study, which aimed to characterize a pharmaceutical formulation via its deconstruction.Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP, São Paulo, Brasil) (FAPESP Ref. No. 2012/15651-4, Tomógrafo para Aplicações na Área das Ciências Farmacêutica; FAPESP Ref. No. 2013/03181-6, Project PneumoPhageKill; FAPESP Ref. No. 2012/15651-4 and FAPESP Ref. No. 2013/19300-4, Auxílio à Pesquisa - Reserva Técnica para Infra-estrutura Institucional de Pesquisa) and by FINEP – Financiadora de Estudos e Projetos (FINEP, Rio de Janeiro, Brasil) (FINEP Ref. No. 01.13.0286.00

Accelerating the adoption of Industry 4.0 supporting technologies in manufacturing engineering courses

[EN] Universities are one of the fundamental actors to guarantee the dissemination of knowledge and the development of competences related to the Industry of the Future (IoF) or Industry 4.0. Computer Aided (CAX) and Product Lifecycle Management (PLM) technologies are key part in the IoF. With this aim, it was launch a project focused on Manufacturing and partially funded by La Fondation Dassault Systèmes. This communication presents a review on CAX-PLM training, four initiatives already in place in universities participating in the project, the project scope, the approach to integrate with the industrial context, the working method to consider different competence profiles and the development framework.The authors express their gratitude to the other project colleagues and to La Fondation Dassault Systèmes for its funding support.Ríos, J.; Mas, F.; Marcos, M.; Vila, C.; Ugarte, D.; Chevrot, T. (2017). Accelerating the adoption of Industry 4.0 supporting technologies in manufacturing engineering courses. MATERIALS SCIENCE FORUM. 903:100-111. https://doi.org/10.4028/www.scientific.net/MSF.903.100S10011190