Multivariate Curve Resolution Of Ph Gradient Flow Injection Mixture Analysis With Correction Of The Schlieren Effect.

Multivariate curve resolution using alternating least squares (MCR-ALS) was used to quantify ascorbic (AA) and acetylsalicylic (ASA) acids in four pharmaceutical samples using a flow injection analysis (FIA) system with pH gradient and a diode array (DAD) spectrometer as a detector. Four different pharmaceutical drugs were analyzed, giving a data array of dimensions 51 x 291 x 61, corresponding respectively to number of samples, FIA times and spectral wavelengths. MCR-ALS was applied to these large data sets using different constraints to have optimal resolution and optimal quantitative estimations of the two analytes (AA and ASA). Since both analytes give an acid-basic pair of species contributing to the UV recorded signal, at least four components sholuld be proposed to model AA and ASA in synthetic mixture samples. Moreover, one additional component was needed to resolve accurately the Schlieren effect and another additional component was also needed to model the presence of possible interferences (like caffeine) in the commercial drugs tablets, giving therefore a total number of 6 independent components needed. The best quantification relative errors were around 2% compared to the reference values obtained by HPLC and by the oxidation-reduction titrimetric method, for ASA and AA respectively. In this work, the application of MCR-ALS allowed for the first time the full resolution of the FIA diffusion profile due to the Schlieren effect as an independent signal contribution, suggesting that the proposed MCR-ALS method allows for its accurate correction in FIA-DAD systems.133774-8

Simulation of NaCl and KCI mass transfer during salting of prato cheese in brine with agitation: a numerical solution

The association of dietary NaCl with arterial hypertension has led to a reduction in the levels of this salt in cheeses. For salting, KCl has been used as a partial substitute for NaCl, which cannot be completely substituted without affecting product acceptability. In this study a sensorially adequate saline solution (NaCl/KCl) was simultaneously diffused during salting of Prato cheese in brine with agitation. The simultaneous multicomponent diffusion during the process was modeled with Fick’s second generalized law. The system of partial differential equations formed was solved by the finite element method (FEM). In the experimental data concentration the deviation for NaCl was of 7.3% and for KCl of 5.4%, both of which were considered acceptable. The simulation of salt diffusion will allow control and modulation of salt content in Prato cheese, permitting the prediction of final content from initial conditions.A associação da dieta com NaCl hipertensão arterial levou a uma redução nos níveis de este sal no queijo. Para a salga, KCl tem sido usado como substituto parcial do NaCl, que não pode ser totalmente substituído sem afetar a aceitabilidade do produto. Neste estudo, a solução salina sensorialmente adequadas solução (NaCl / KCl) foi difundida simultaneamente, durante a salga de queijo prato em salmoura com agitação. A difusão multicomponente simultânea durante o processo foi modelado com a segunda lei de Fick generalizada. O sistema de equações diferenciais parciais formados foi resolvido pelo método dos elementos finitos (FEM). Na concentração de dados experimentais do desvio de NaCl foi de 7,3% e KCl de 5,4%, sendo que ambos foram considerado aceitável. A simulação da difusão do sal vai permitir o controle e modulação do teor de sal no Queijo Prato, permitindo a predição do conteúdo final das condições iniciais

Controlled synthesis and structure characterization of a new fluconazole polymorph using analytical techniques and multivariate method

In the crystallization and search for higher multicomponent forms of fluconazole (FLZ), a metastable FLZ polymorph (concomitant) that manifests in the same crystallization system and transforms into the stable FLZ form (II) after the lyophilization process was observed. In this report, we demonstrated and showed how this FLZ polymorph 10 (Mw = 306.79 g/mol) of the monoclinic C2 space group was detected and reproduced through a controlled lyophilized experiment, and modeled differentiation between vibrational and absorption modes of FLZ functionalities like C=O, OH, –CH2 and –NH. The FLZ polymorph shows strong O–H···N and weak C−H···X (X = N, and F) hydrogen bond and the presence of pi-pi bond interactions in the overlapping triazole rings. The combination of vibrational spectroscopic techniques (Raman/FT-IR) and principal component analysis (PCA) aid the development of important models for polymorph screening and identification. In addition, X-ray diffraction (powder and single crystal) techniques support the polymorph characterization and structure depiction. The PCA models and X-ray diffraction analyses confirmed the newness of FLZ polymorph 10, and further solid-state characterization using thermal techniques (DSC and TGA) affirmed its uniqueness and novelty. Finally, the thermal stability and solubility studies on the new FLZ polymorph were determined to understand its structure properties and compare these with previously reported polymorphs of FLZ

J-PAS: Forecasts for dark matter - dark energy elastic couplings

We consider a cosmological model where dark matter and dark energy feature a coupling that only affects their momentum transfer in the corresponding Euler equations. We perform a fit to cosmological observables and confirm previous findings within these scenarios that favour the presence of a coupling at more than $3\sigma$. This improvement is driven by the Sunyaev-Zeldovich data. We subsequently perform a forecast for future J-PAS data and find that clustering measurements will permit to clearly discern the presence of an interaction within a few percent level with the uncoupled case at more than $10\sigma$ when the complete survey, covering $8500$ sq. deg., is considered. We found that the inclusion of weak lensing measurements will not help to further constrain the coupling parameter. For completeness, we compare to forecasts for DESI and Euclid, which provide similar discriminating power.Comment: 34 pages, 17 figures, added some clarifications and discussions, matches published versio

The mini-JPAS: A study of the wavelength dependence of the photon response nonuniformity of the JPAS-pathfinder camera

Understanding the origins of small-scale flats of CCDs and their wavelength-dependent variations plays an important role in high-precision photometric, astrometric, and shape measurements of astronomical objects. Based on the unique flat data of 47 narrowband filters provided by JPAS-Pathfinder, we analyze the variations of small-scale flats as a function of wavelength. We find moderate variations (from about 1.0% at 390 nm to 0.3% at 890 nm) of small-scale flats among different filters, increasing toward shorter wavelengths. Small-scale flats of two filters close in central wavelengths are strongly correlated. We then use a simple physical model to reproduce the observed variations to a precision of about ±0.14% by considering the variations of charge collection efficiencies, effective areas, and thicknesses between CCD pixels. We find that the wavelength-dependent variations of the small-scale flats of the JPAS-Pathfinder camera originate from inhomogeneities of the quantum efficiency (particularly charge collection efficiency), as well as the effective area and thickness of CCD pixels. The former dominates the variations in short wavelengths, while the latter two dominate at longer wavelengths. The effects on proper flat-fielding, as well as on photometric/flux calibrations for photometric/slitless spectroscopic surveys, are discussed, particularly in blue filters/wavelengths. We also find that different model parameters are sensitive to flats of different wavelengths, depending on the relations between the electron absorption depth, photon absorption length, and CCD thickness. In order to model the wavelength-dependent variations of small-scale flats, a small number (around 10) of small-scale flats with well-selected wavelengths are sufficient to reconstruct small-scale flats in other wavelengths. © 2021. The American Astronomical Society. All rights reserved.he PRNU model adopted in this work was developed as part of Mr. Baocun Chen's undergraduate thesis work under the supervision of H.Z. This work is supported by the National Natural Science Foundation of China through projects NSFC 12173007 and 11603002, the National Key Basic R&D Program of China via 2019YFA0405503, and Beijing Normal University grant No. 310232102. We acknowledge the science research grants from the China Manned Space Project with Nos. CMS-CSST-2021-A08 and CMS-CSST2021-A09. Based on observations made with the JST/T250 telescope and JPCam at the Observatorio Astrofisico de Javalambre (OAJ) in Teruel, owned, managed, and operated by the Centro de Estudios de Fisica del Cosmos de Aragon (CEFCA). We acknowledge the OAJ Data Processing and Archiving Unit (UPAD) for reducing and calibrating the OAJ data used in this work. Funding for the JPAS Project has been provided by the Governments of Spain and Aragon through the Fondo de Inversion de Teruel, European FEDER funding, and the Spanish Ministry of Science, Innovation and Universities, as well as by the Brazilian agencies FINEP, FAPESP, and FAPERJ and the National Observatory of Brazil. Additional funding was also provided by the Tartu Observatory and the JPAS Chinese Astronomical Consortium. With funding from the Spanish government through the Severo Ochoa Centre of Excellence accreditation SEV-2017-0709

Marine biotechnology in Brazil : recent developments and its potential for innovation

Marine biotechnology is an emerging field in Brazil and includes the exploration of marine microbial products, aquaculture, omics, isolation of biologically active compounds, identification of biosynthetic gene clusters from symbiotic microorganisms, investigation of invertebrate diseases caused by potentially pathogenic marine microbes, and development of antifouling compounds. Furthermore, the field also encompasses description of new biological niches, current threats, preservation strategies as well as its biotechnological potential. Finally, it is important to depict some of the major approaches and tools being employed to such end. To address the challenges of marine biotechnology, the Brazilian government, through the Ministry of Science, Technology, Innovation, and Communication, has established the National Research Network in Marine Biotechnology (BiotecMar) (www.biotecmar.sage.coppe.ufrj.br). Its main objective is to harness marine biodiversity and develop the marine bioeconomy through innovative research

The miniJPAS survey quasar selection IV: Classification and redshift estimation with SQUEzE

We present a list of quasar candidates including photometric redshift estimates from the miniJPAS Data Release constructed using SQUEzE. This work is based on machine-learning classification of photometric data of quasar candidates using SQUEzE. It has the advantage that its classification procedure can be explained to some extent, making it less of a `black box' when compared with other classifiers. Another key advantage is that using user-defined metrics means the user has more control over the classification. While SQUEzE was designed for spectroscopic data, here we adapt it for multi-band photometric data, i.e. we treat multiple narrow-band filters as very low-resolution spectra. We train our models using specialized mocks from Queiroz et al. (2022). We estimate our redshift precision using the normalized median absolute deviation, $\sigma_{\rm NMAD}$ applied to our test sample. Our test sample returns an $f_1$ score (effectively the purity and completeness) of 0.49 for quasars down to magnitude $r=24.3$ with $z\geq2.1$ and 0.24 for quasars with $z<2.1$. For high-z quasars, this goes up to 0.9 for $r<21.0$. We present two catalogues of quasar candidates including redshift estimates: 301 from point-like sources and 1049 when also including extended sources. We discuss the impact of including extended sources in our predictions (they are not included in the mocks), as well as the impact of changing the noise model of the mocks. We also give an explanation of SQUEzE reasoning. Our estimates for the redshift precision using the test sample indicate a $\sigma_{NMAD}=0.92\%$ for the entire sample, reduced to 0.81\% for $r<22.5$ and 0.74\% for $r<21.3$. Spectroscopic follow-up of the candidates is required in order to confirm the validity of our findings.Comment: Accepted in A&A 24 pages, 24 figures, 7 table

J-PAS: forecasts on dark energy and modified gravity theories

The next generation of galaxy surveys will allow us to test one of the most fundamental assumptions of the standard cosmology, i.e. that gravity is governed by the general theory of relativity (GR). In this paper, we investigate the ability of the Javalambre Physics of the AcceleratingUniverseAstrophysical Survey (J-PAS) to constrainGR and its extensions. Based on the J-PAS information on clustering and gravitational lensing, we perform a Fisher matrix forecast on the effective Newton constant, mu, and the gravitational slip parameter, eta, whose deviations from unity would indicate a breakdown of GR. Similar analysis is also performed for the DESI and Euclid surveys and compared to J-PAS with two configurations providing different areas, namely an initial expectation with 4000 deg(2) and the future best case scenario with 8500 deg(2). We show that J-PAS will be able to measure the parameters mu and eta at a sensitivity of 2-7 per cent, and will provide the best constraints in the interval z = 0.3-0.6, thanks to the large number of ELGs detectable in that redshift range. We also discuss the constraining power of J-PAS for dark energy models with a time-dependent equation-of-state parameter of the type w(a) = w(0) + w(a)(1 - a), obtaining Delta w(0) = 0.058 and Delta w(a) = 0.24 for the absolute errors of the dark energy parameters.© 2020 The Author(s) Published by Oxford University Press on behalf of the Royal Astronomical SocietyWe are thankful to our colleagues of J-PAS Theory Working Group for useful discussions and to Ricardo Landim for his comments. MAR and ALM acknowledge support from MINECO (Spain) project FIS2016-78859-P (AEI/FEDER, UE), Red Consolider MultiDark FPA2017-90566-REDC, and UCM pre-doctoral grant. JSA acknowledges support from FAPERJ grant no. E-26/203.024/2017; CNPq grant no. 310790/2014-0 and 400471/2014-0; and the Financiadora de Estudos e Projetos -FINEP grants REF. 1217/13-01.13.0279.00 and REF0859/10-01.10.0663.00. SC acknowledges support from CNPq grant nos 307467/2017-1 and 420641/2018-1. This paper has gone through internal review by the J-PAS collaboration. Funding for the J-PAS Project has been provided by the Governments of Espana and Aragon through the Fondo de Inversion de Teruel, European FEDER funding, the MINECO projects AYA2015-66211-C2-1- P, AYA2015-66211-C2-2, and AYA2012-30789; the Brazilian agencies FINEP, FAPESP, FAPERJ and by the National Observatory of Brazil.Peer reviewe

J-PAS: forecasts on interacting vacuum energy models

The next generation of galaxy surveys will allow us to test some fundamental aspects of the standard cosmological model, including the assumption of a minimal coupling between the components of the dark sector. In this paper, we present the Javalambre Physics of the Accelerated Universe Astrophysical Survey (J-PAS) forecasts on a class of unified models where cold dark matter interacts with a vacuum energy, considering future observations of baryon acoustic oscillations, redshift-space distortions, and the matter power spectrum. After providing a general framework to study the background and linear perturbations, we focus on a concrete interacting model without momentum exchange by taking into account the contribution of baryons. We compare the J-PAS results with those expected for DESI and Euclid surveys and show that J-PAS is competitive to them, especially at low redshifts. Indeed, the predicted errors for the interaction parameter, which measures the departure from a ΛCDM model, can be comparable to the actual errors derived from the current data of cosmic microwave background temperature anisotropies. © 2021 IOP Publishing Ltd and Sissa Medialab.MB acknowledges Istituto Nazionale di Fisica Nucleare (INFN), sezione di Napoli, iniziativa specifica QGSKY. RvM acknowledges support from the Programa de Capacitacao Institucional do Observatorio Nacional PCI/ON/MCTI. SC is supported by CNPq (Grants No. 307467/2017-1 and 420641/2018-1). JA is supported by CNPq (Grants No. 310790/20140 and 400471/2014-0) and FAPERJ (Grant No. 233906). JCF is supported by CNPq (Grant No. 304521/2015-9) and FAPES (Grant No. 78/2017). ST is supported by the Grant-inAid for Scientific Research Fund of the JSPS No. 19K03854. VM thanks CNPq (Brazil) and FAPES (Brazil) for partial financial support. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No. 888258. This paper has gone through internal review by the J-PAS collaboration. Funding for the J-PAS Project has been provided by the Governments of Spain and Aragon through the Fondo de Inversion de Teruel, European FEDER funding and the MINECO and by the Brazilian agencies FINEP, FAPESP, FAPERJ and by the National Observatory of Brazil.With funding from the Spanish government through the Severo Ochoa Centre of Excellence accreditation SEV-2017-0709.Peer reviewe