Abstract: Science and technology of materials are widely interested in the development of new alloys involving tungsten due to its large applicability to the domain of nuclear material transportation. Tungsten is a refractory material and it has many applications in the nuclear industry due to its mechanical properties and excellent cross-section for thermal neutrons, being widely used for shielding of high-energy radiation. Some of the main elements added to tungsten forming alloys are Nb, Cr, Cu, Fe, Ni, Mo, Co, Sn, Ti, and Ta, which are responsible for modifications of the physical and chemical properties of the resulting alloy, interfering on the attenuation of gamma radiation. The main goal of this paper is to present a refractory alloy based on tungsten with embedded infiltrating elements like copper (Cu) and nickel (Ni) and characterize the microstructural evolution of different sintering process during its formation. Such a refractory alloy is submitted to the following characterization process: X-rays diffractometry, thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), scanning electron microscopy, and energy dispersive spectroscopy. The diffractometry exhibit typical standard results for the precursor powders: W, Cu, and Ni demonstrating high degrees of purity accordingly to the crystallographic determined parameters. The TGA for the powder W demonstrated thermal stability until 360 ºC, after an increase of mass due to the process of oxidation. The DSC analyze present two endothermal processes at temperatures 350 °C and 450 °C. The microstructural evolution of WCuNi samples presents the absence of oxidation, homogeneous morphology and stability of the binary phase α–β (W and CuNi respectively) for different sintering. These results shall be taken into consideration for future works, particularly on the study of shielding and gamma radiation attenuation.

Palavras-Chave: microstructure; alloys; tungsten; heat resisting alloys

SOUZA, ARMANDO C.; ROSSI, JESUALDO L.; TSAKIROPOULOS, PANOS; ARISTONE, FLAVIO. Microstructural evolution of the refractory WCuNi metallic alloy. Metals and Materials International, v. 27, n. 11, p. 4820-4830, 2021. DOI: 10.1007/s12540-020-00648-2. Disponível em: http://repositorio.ipen.br/handle/123456789/32404. Acesso em: $DATA.

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Abstract: Single-nucleon transfer reactions are processes that selectively probe single-particle components of the populated many-body nuclear states. In this context, recent efforts have been made to build a unified description of the rich nuclear spectroscopy accessible in heavy-ion collisions. An example of this multichannel approach is the study of the competition between successive nucleon transfer and charge exchange reactions, the latter being of particular interest in the context of single and double beta decay studies. To this extent, the one-proton pickup reaction 48Ti(18O, 19F) 47Sc at 275 MeV was measured for the first time, under the NUMEN experimental campaign. Differential cross-section angular distribution measurements for the 19F ejectiles were performed at INFN-LNS in Catania by using the MAGNEX large acceptance magnetic spectrometer. The data were analyzed within the distorted-wave and coupled-channels Born approximation frameworks. The initial and final-state interactions were described adopting the São Paulo potential, whereas the spectroscopic amplitudes for the projectile and target overlaps were derived from shell-model calculations. The theoretical cross sections are found to be in very good agreement with the experimental data, suggesting the validity of the optical potentials and the shell-model description of the involved nuclear states within the adopted model space.

Palavras-Chave: matrix elements; nuclear matrix; charge-exchange reactions; double beta decay; cross sections

SGOUROS, O.; CAVALLARO, M.; CAPPUZZELLO, F.; CARBONE, D.; AGODI, C.; GARGANO, A.; DE GREGORIO, G.; ALTANA, C.; BRISCHETTO, G.A.; BURRELLO, S.; CALABRESE, S.; CALVO, D.; CAPIROSSI, V.; CHAVEZ LOMELI, E.R.; CIRALDO, I.; CUTULI, M.; DELAUNAY, F.; DJAPO, H.; EKE, C.; FINOCCHIARO, P.; FISICHELLA, M.; FOTI, A.; HACISALIHOGLU, A.; IAZZI, F.; LA FAUCI, L.; LINARES, R.; LUBIAN, J.; MEDINA, N.H.; MORALLES, M.; OLIVEIRA, J.R.B.; PAKOU, A.; PANDOLA, L.; PINNA, F.; RUSSO, G.; GUAZZELLI, M.A.; SOUKERAS, V.; SOULIOTIS, G.; SPATAFORA, A.; TORRESI, D.; YILDIRIM, A.; ZAGATTO, V.A.B. One-proton transfer reaction for the 18O+48Ti system at 275 MeV. Physical Review C, v. 104, n. 3, p. 034617-1 - 034617-12, 2021. DOI: 10.1103/PhysRevC.104.034617. Disponível em: http://repositorio.ipen.br/handle/123456789/32402. Acesso em: $DATA.

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Abstract: A detailed investigation of the electronic structure in the neighborhood of Cd impurities in CeO2 has been performed by ab initio calculations to elucidate the interplay between the oxygen vacancies and electric quadrupole interactions. The quadrupole frequency related to the major component of the electric-field gradient (EFG) at impurities sites from its neighboring charge density as well as its symmetry were calculated by simulating oxygen vacancies at oxygen nearest neighbor of Cd. Results show a very good agreement with experimental hyperfine interactions measurements at the 111Cd nucleus replacing Ce at CeO2. A systematic mapping of oxygen vacancies in CeO2 supercells was proposed within the framework of density-functional theory using the WIEN2K code focusing on the electronic distribution in the vicinity of Cd impurities. Results show that the calculated values of EFG crucially depend on impurity-vacancy complex position and the striking axial symmetry observed when an oxygen monovancy is at the nearest neighborhood of Cd is explained by a rearrangement of its p orbitals.

Palavras-Chave: electric fields; cadmium; cerium oxides; x-ray spectra

FERREIRA, W.L.; PEREIRA, L.F.D.; LEITE NETO, O.F.S.; MACIEL, L.S.; GONÇALVES, V.C.; SAXENA, R.N.; CARBONARI, A.W.; COSTA, M.S.; CABRERA-PASCA, G.A. Locally symmetric oxygen vacancy around Cd impurities in CeO2. Physical Review B, v. 104, n. 3, p. 035146-1 - 035146-11, 2021. DOI: 10.1103/PhysRevB.104.035146. Disponível em: http://repositorio.ipen.br/handle/123456789/32400. Acesso em: $DATA.

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Abstract: The breast cancer molecular subtype is an important classification to outline the prognostic. Gold-standard assessing using immunohistochemistry adds subjectivity due to interlaboratory and interobserver variations. In order to increase the diagnosis confidence, other techniques need to be examined, where the FTIR spectroscopy imaging allied with machine learning techniques may provide additional and quantitative information regarding the molecular composition. However, the impact of co-added scans acquisition parameter into machine learning classifications still needs better evaluation. In this study, FTIR images of Luminal B and HER2 subtypes were acquired varying the scan number and preprocessing techniques. It was demonstrated a spectral quality improvement when the scan number was increased, decreasing the standard deviation and outliers. Six machine learning models were used to classify the subtypes: Linear Discriminant Analysis, Partial Least Squares Discriminant Analysis, K-Nearest Neighbors, Support Vector Machine, Random Forest and Extreme Gradient Boosting. Best mean accuracy of 0.995 was achieved by Extreme Gradient Boosting model. It was found that all models achieved similar high accuracies with groups b256_064 (256 background and 064 scans), b256_128 and b128_128. Besides assessing the performance of different models, the b256_064 was established as the optimal group due to the minimum acquisition time. Therefore, this work indicates b256_064 for breast cancer subtype classification and also as a basis for other studies using machine learning for cancer evaluation.

Palavras-Chave: fourier transform spectrometers; mammary glands; neoplasms; machine learning; histological techniques

DEL-VALLE, MATHEUS; SANTOS, MOISES O. dos; SANTOS, SOFIA N. dos; CASTRO, PEDRO A.A. de; BERNARDES, EMERSON S.; ZEZELL, DENISE M. The impact of scan number and its preprocessing in micro-FTIR imaging when applying machine learning for breast cancer subtypes classification. Vibrational Spectroscopy, v. 117, p. 1-6, 2021. DOI: 10.1016/j.vibspec.2021.103309. Disponível em: http://repositorio.ipen.br/handle/123456789/32398. Acesso em: $DATA.

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Abstract: Food allergies have been increasing all over the world. Egg is an important component in the food industries and the second most common cause of food allergy, shortly after milk. In the wine industry, egg white is applied as a fining agent for tannin removal. In this study, a sandwich-based immunoassay for ultrasensitive detection of ovalbumin (OVA) in wine samples was developed. The assay involves the use of magnetic beads (MBs) decorated with a polyclonal anti-OVA antibody (Ab2) and horseradish peroxidase (HRP), used as label for the quantification in a disposable electrochemical microfluidic device (DEμD) here developed. The Ab2-MB-HRP prepared was applied to capture, separate, and pre-concentrate OVA from wine samples. In the DEμD, OVA was immune-magnetically captured (OVA-Ab2-MB-HRP), producing a sandwich structure (GO-Ab1-OVA-Ab2-MB-HRP) on the electrode's surface. This arrangement results in an ultrasensitive device, achieving the ultralow limit of detection of 0.2 fg mL−1 OVA. Five samples of wines were analyzed by using the immuno-magneto-assay which presents excellent accuracy compared with enzyme-linked immunosorbent assay (ELISA).

Palavras-Chave: egg; allergy; ovalbumin; enzyme immunoassay; beverages; antigens

BALDO, THAISA A.; PROENCA, CAMILA dos A.; FELIX, FABIANA da S.; FREITAS, TAYANE A.; SAKATA, SOLANGE K.; ANGNES, LUCIO; FARIA, RONALDO C. Disposable electrochemical microfluidic device for ultrasensitive detection of egg allergen in wine samples. Talanta, v. 232, p. 1-9, 2021. DOI: 10.1016/j.talanta.2021.122447. Disponível em: http://repositorio.ipen.br/handle/123456789/32396. Acesso em: $DATA.

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Abstract: Men with castration-resistant prostate cancer (CRPC) face poor prognosis and increased risk of treatment-incurred adverse effects resulting in one of the highest mortalities among patient population globally. Immune cells act as double-edged sword depending on the tumor microenvironment, which leads to increased infiltration of pro-tumor (M2) macrophages. Development of new immunomodulatory therapeutic agents capable of targeting the tumor microenvironment, and hence orchestrating the transformation of pro-tumor M2 macrophages to anti-tumor M1, would substantially improve treatment outcomes of CRPC patients. We report, herein, Mangiferin functionalized gold nanoparticulate agent (MGF-AuNPs) and its immunomodulatory characteristics in treating prostate cancer. We provide evidence of immunomodulatory intervention of MGF-AuNPs in prostate cancers through observations of enhanced levels of anti-tumor cytokines (IL-12 and TNF-α) with concomitant reductions in the levels of pro-tumor cytokines (IL-10 and IL-6). In the MGF-AuNPs treated groups, IL-12 was elevated to ten-fold while TNF-α was elevated to about 50-fold, while IL-10 and IL-6 were reduced by two-fold. Ability of MGF-AuNPs to target splenic macrophages is invoked via targeting of NF-kB signaling pathway. Finally, therapeutic efficacy of MGF-AuNPs, in treating prostate cancer in vivo in tumor bearing mice, is described taking into consideration various immunomodulatory interventions triggered by this green nanotechnology-based nanomedicine agent.

Palavras-Chave: nanotechnology; neoplasms; prostate; therapy; gold; nanoparticles; immunotherapy

KHOOBCHANDANI, MENKA; KHAN, ASLAM; KATTI, KAVITA K.; THIPE, VELAPHI C.; AL-YASIRI, AMAL Y.; MOHANDOSS, DARSHA K.D.; NICHOLL, MICHAEL B.; LUGAO, ADEMAR B.; HANS, CHETAN P.; KATTI, KATTESH V. Green nanotechnology of MGF‑AuNPs for immunomodulatory intervention in prostate cancer therapy. Scientific Reports, v. 11, n. 1, p. 1-30, 2021. DOI: 10.1038/s41598-021-96224-8. Disponível em: http://repositorio.ipen.br/handle/123456789/32394. Acesso em: $DATA.

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Abstract: Tetracaine (TTC) is a local anesthetic broadly used for topical and spinal blockade, despite its systemic toxicity. Encapsulation in nanostructured lipid carriers (NLC) may prolong TTC delivery at the site of injection, reducing such toxicity. This work reports the development of NLC loading 4% TTC. Structural properties and encapsulation efficiency (%EE > 63%) guided the selection of three pre-formulations of different lipid composition, through a 23 factorial design of experiments (DOE). DLS and TEM analyses revealed average sizes (193–220 nm), polydispersity (< 0.2), zeta potential |− 21.8 to − 30.1 mV| and spherical shape of the nanoparticles, while FTIR-ATR, NTA, DSC, XRD and SANS provided details on their structure and physicochemical stability over time. Interestingly, one optimized pre-formulation (CP-TRANS/TTC) showed phase-separation after 4 months, as predicted by Raman imaging that detected lack of miscibility between its solid (cetyl palmitate) and liquid (Transcutol) lipids. SANS analyses identified lamellar arrangements inside such nanoparticles, the thickness of the lamellae been decreased by TTC. As a result of this combined approach (DOE and biophysical techniques) two optimized pre-formulations were rationally selected, both with great potential as drug delivery systems, extending the release of the anesthetic (> 48 h) and reducing TTC cytotoxicity against Balb/c 3T3 cells.

Palavras-Chave: anesthetics; nanostructures; carriers; lipids; drug delivery

CASTRO, SIMONE R.; RIBEIRO, LIGIA N.M.; BREITKREITZ, MARCIA C.; GUILHERME, VIVIANE A.; SILVA, GUSTAVO H.R. da; MITSUTAKE, HERY; ALCANTARA, ANA C.S.; YOKAICHIYA, FABIANO; FRANCO, MARGARETH K.K.D.; CLEMENS, DANIEL; KENT, BEN; LANCELLOTTI, MARCELO; ARAUJO, DANIELE R. de; PAULA, ENEIDA de. A pre‑formulation study of tetracaine loaded in optimized nanostructured lipid carriers. Scientific Reports, v. 11, n. 1, p. 1-15, 2021. DOI: 10.1038/s41598-021-99743-6. Disponível em: http://repositorio.ipen.br/handle/123456789/32392. Acesso em: $DATA.

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Abstract: Rule-following is affected by multiple variables. A relevant aspect of rules regards whether they “make sense”, that is, the extent to which the instruction coheres with previously reinforced patterns of relational responding. The present study aimed to evaluate the influence of relational coherence upon rule-following. After mastering a particular set of conditional relations (e.g., A1B1, A2B2), the participants were exposed to two speakers, one of which would “state” relations that cohered (e.g., A1B1, A2B2) with the participant’s previous relational training and the other that would present relations that were incoherent (e.g., A1B2, A2B1). Then, rule-following was measured in a preference test in which the participant would have to choose which of the two speakers would provide instructions in each test trial. Results show that the participants preferred the coherent speaker to provide instructions and followed the rules presented by that speaker throughout the test. Coherence is discussed as a critical aspect of rule following and preference for particular narratives.

Palavras-Chave: human populations; testing; behavior; human factors; sociology

BIANCHI, PAULO H.; PEREZ, WILLIAM F.; HARTE, COLIN; BARNES-HOLMES, DERMOT. Effects of coherence on speaker preference and rule-following. Perspectivas em Análise do Comportamento, v. 12, n. 1, p. 214-227, 2021. DOI: 10.18761/PAC.2021.v12.RFT.07. Disponível em: http://repositorio.ipen.br/handle/123456789/32390. Acesso em: $DATA.

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Abstract: Pt/C, PtBi(95:5)/C, Pd/C, and PdBi(95:5)/C were synthesized by the sodium borohydride reducing method to produce metal nanoparticles with advanced electronic properties to enhance the ethanol oxidation reaction (EOR) mechanism. The Transmission Electron Microscopy (TEM) images and X-ray photoelectron spectroscopy (XPS) showed that a small Bi content does not affect the nanoparticle size PdBi/C; in contrast, it does affect the PtBi ones. The X-ray diffraction analysis revealed a lattice parameter modification by Bi dope in Pt crystalline structure. Furthermore, the ATR-FTIR results indicated the suppression of carbonate formation and increment in acetate production. The results of polarization and power density curves on DEFC, the material PtBi/C presented the more high power density, almost six times bigger than Pt/C. PtBi/C also has the highest current density (44 mW/cm2) and the lowest onset potential (−0.6 V) in linear sweep voltammetry experiments. It also has the highest final current density in current-time experiments. Hence, PtBi/C is a very promising electrocatalyst for DEFC.

Palavras-Chave: direct ethanol fuel cells; bismuth; ethanol; oxidation

LIMA, F.S.; FONTES, E.H.; NANDENHA, J.; SOUZA, R.F.B. de; NETO, A.O. Addition of bismuth to Pt and Pd for electric power generation with selective cogeneration of acetate from ethanol in a fuel cell type reactor. Journal of Fuel Chemistry and Technology, v. 49, n. 10, p. 1540-1548, 2021. DOI: 10.1016/S1872-5813(21)60141-X. Disponível em: http://repositorio.ipen.br/handle/123456789/32386. Acesso em: $DATA.

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Abstract: A catalyst is a substance that changes the rate of a reaction. In the petroleum industry, the catalysts are commonly used for fluid catalytic cracking and hydrocracking carried out with catalyst, each of them applied in a specific stage. These catalysts are used to facilitate the molecular chains cracking, which will generate a mixture of hydrocarbons. However, the catalyst gradually loses its activity, either by changing its original molecular structure or by its contamination from other petroleum molecules. The application of ionizing radiation (medium-energy electron beam) over these spent catalysts was studied to contribute the extraction of metals or rare-earths of high added-value. Tests conducted with hydrocracking catalysts were used the technique of electron beam irradiation (1.3 MeV) and had as a subject the extraction of molybdenum. Energy Dispersive X-ray analysis was performed on a Shimadzu EDX-720/800HS and X-ray Diffraction analysis on a Rigaku MultiFlex. Electron beam irradiation had a positive contribution if compared to traditional thermal and chemical methods. In temperature around 750 °C, hydrocracking irradiated catalysts of the lower region have an extraction of molybdenum (MoO3) yield twice higher compared to non-irradiated ones, in other words 57.65% and 26.24%, respectively.

Palavras-Chave: electron beams; irradiation; cracking; molybdenum; hydrocarbons

KONDO, F.M.; DUARTE, C.L.; SOMESSARI, S.L.; SATO, M.I.; SALVADOR, V.L.R.; LIMA, N.B.; MARTINELLI, J.R.; CALVO, W.A.P. Extraction of molybdenum from spent NiMo hydrocracking catalysts assisted by ionizing radiation. Radiation Physics and Chemistry, v. 191, p. 1-7, 2022. DOI: 10.1016/j.radphyschem.2021.109815. Disponível em: http://repositorio.ipen.br/handle/123456789/32384. Acesso em: $DATA.

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Abstract: Al and its alloys are found in several industrial applications. However, like most metals, this material is not immune to corrosion, being necessary to be protected against corrosion. One of the methods most commonly employed to improve the corrosion resistance of Al alloys is the anodizing process, which consists of thickening of the natural oxide (Al2O3) presents in Al through anodic oxidation. The anodizing process is accomplished by immersion of the Al alloy into an acid bath and passing an electric current through it. This process produces two layers: a barrier layer thicker than the natural oxide and a layer with regular arrangement of nanopores (porous layer). This duplex structure forms the anodized layer with a large specific surface area. With the advent of nanotechnology, this layer has been applied in other areas due to its low cost, stability, absence of toxicity, and biocompatibility. In this context, this paper addresses a historical and electrochemical review of the anodizing process of Al and its alloys, presenting the main events that culminated in the development of the current processes and the understanding of the relationship between the chemical reactions and the mechanisms that occur during nucleation and development of the oxide layer.

Palavras-Chave: electrochemistry; aluminium; anodization; corrosion; nanotechnology

ARAUJO, JOAO V. de S.; SILVA, REJANE M.P. da; KLUMPP, RAFAEL E.; COSTA, ISOLDA. O processo de anodização do alumínio e suas ligas: uma abordagem histórica e eletroquímica. Quimica Nova, v. 44, n. 8, p. 999-1011, 2021. DOI: 10.21577/0100-4042.20170748. Disponível em: http://repositorio.ipen.br/handle/123456789/32382. Acesso em: $DATA.

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Abstract: Composite materials have widened their application range in recent years. The polymeric composite reinforced with carbon fibers can be described as a high-performance structural material which merges two important features: low weight and mechanical stability. Carbon fiber production which uses polyacrylonitrile as precursor is composed of many stages such as polymerization, spinning, thermal stabilization, carbonization, and surface treatment. Thermal stabilization is the critical stage of this production process, during which aromatic rings are generated, and therefore the main factor for the carbon fiber structure definition and thus for this material quality. A thermal stabilization model using intelligent algorithms was developed aiming a possible optimization of the production process and consequent cost reduction. This work was based on real experimental data obtained from a composite material production pilot plant. A qualitative analysis was initially performed using Self-Organizing Maps trained with variables of fiber production reagents and process. Thereafter, a supervised training with feedforward backpropagation neural network was used for a quantitative analysis. Based on this quantitative analysis, the carbon fiber thermal stabilization process was simulated, obtaining 2.98% and 2.48% mean errors relative to experimental results of Volumetric Density and FTIR Conversion index, respectively.

Palavras-Chave: carbon fibers; stabilization; polymers; artificial intelligence; neural networks

TERRA, BRUNA M.; ANDRADE, DELVONEI A. de; MESQUITA, ROBERTO N. de. Characterization of polyacrylonitrile thermal stabilization process for carbon fiber production using intelligent algorithms. Polymer Testing, v. 100, p. 1-11, 2021. DOI: 10.1016/j.polymertesting.2021.107238. Disponível em: http://repositorio.ipen.br/handle/123456789/32380. Acesso em: $DATA.

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Abstract: Dermatophytosis is a superficial skin infection that widely effects companion animals. Miscrosporum canis is one of the most prevalent species isolated from dogs and cats, and because of the serious zoonotic potential, short-term treatment regimens are preferred to prevent the spread of disease either by direct contact or through contamination of the environment. Antimicrobial photodynamic therapy (APDT) has emerged as a promising strategy able to kill effectively a wide range of pathogens in a short period with minimal morbidity . In this case report, a 7-year-old male dog was diagnosed with dermatophytosis caused by M. canis. Methylene blue-mediated antimicrobial photodynamic therapy (MB-APDT) was applied over the lesions in two sessions with an interval of 7 days. The dog successfully healed, achieving a complete clinical cure after 21 days, without reports of recurrence after a follow-up period of 6 months. Therefore, MB-APDT could be a potential ally of small animal clinicians to treat superficial fungal diseases and should be further explored in Veterinary Medicine.

Palavras-Chave: antimicrobial agents; methylene blue; veterinary medicine; therapy; skin diseases; tinea

CABRAL, FERNANDA V.; SELLERA, FABIO P.; RIBEIRO, MARTHA S. Methylene blue-mediated antimicrobial photodynamic therapy for canine dermatophytosis caused by Microsporum canis: a successful case report with 6 months follow-up. Photodiagnosis and Photodynamic Therapy, v. 36, p. 1-3, 2021. DOI: 10.1016/j.pdpdt.2021.102602. Disponível em: http://repositorio.ipen.br/handle/123456789/32378. Acesso em: $DATA.

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Abstract: MUC1, the transmembrane glycoprotein Mucin 1, is usually found to be overexpressed in a variety of epithelial cancers playing an important role in disease progression. MUC1 isoforms such as MUC1/Y, which lacks the entire variable number of tandem repeat region, are involved in oncogenic processes by enhancing tumour initiation. MUC1/Y is therefore considered a promising target for the identification and treatment of epithelial cancers; but so far, the precise role of MUC1/Y remains to be elucidated. In this work, we developed and identified a DNA aptamer that specifically recognizes the splice variant MUC1/Y for the first time. The DNA aptamer could bind to a wide variety of human cancer cells, and treatment of MUC1/Y positive cells resulted in reduced growth in vitro. Moreover, MUC1/Y aptamer inhibited the tumour growth of breast cancer cells in vivo. The present study highlights the importance of targeting MUC1/Y for cancer treatment and unravels the suitability of a DNA aptamer to act as a new therapeutic tool.

Palavras-Chave: neoplasms; mammary glands; drugs; pharmacology; kinetics

KHAN, HUMA; MAKWANA, VAIDEHI; SANTOS, SOFIA N. dos; ALMEIDA, CARLOS E.B. de; SANTOS-OLIVEIRA, RALPH; MISSAILIDIS, SOTIRIS. Development, characterization, and in vivo evaluation of a novel aptamer (anti-MUC1/Y) for breast cancer therapy. Pharmaceutics, v. 13, n. 8, p. 1-17, 2021. DOI: 10.3390/pharmaceutics13081239. Disponível em: http://repositorio.ipen.br/handle/123456789/32376. Acesso em: $DATA.

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Abstract: Background: Mucopolysaccharidosis type VII (MPS VII), also known as Sly syndrome, caused by deficiency of the lysosomal enzyme β-glucuronidase, is an ultra-rare disorder with scarce epidemiological data and few publications about natural history and clinical spectrum. Methods: We conducted a case series report which included retrospective data from all MPS VII patients diagnosed through the “MPS Brazil Network” who were known to be alive in 2020 in Brazil (N = 13). Clinical data were obtained from a review of the medical records and descriptive statistics and variables were summarized using counts and percentages of the total population. Results: The majority of the patients were from the Northeast region of Brazil. Among the signs and symptoms that raised the clinical suspicion of MPS, coarse face was the most frequent; 58% of the patients had a history of non-immune hydrops fetalis. All the subjects presented short neck and trunk. The majority presented typical phenotypical signs of MPS disorders. They all presented neurodevelopmental delay and cognitive impairment. About half of this cohort had knees deformities. Dysostosis multiplex was identified in almost all patients and cardiomyopathy was less frequent than observed in other types of MPSs. The mean age at diagnosis was 5 years, ranging from 1 to 14 years. Almost all patients (12/13) were homozygous for the c.526C>T (p.Leu176Phe) mutation. A novel variant of the GUSB gene was found, the c.875T>C (p.Leu292Pro), in a compound heterozygous with the c.526C>T (p.Leu176Phe) variant. Conclusions: This case series is the biggest data collection of MPS VII patients alive in Latin America. The overall clinical picture of the MPS VII patients is very similar to other MPS disorders, including a spectrum of severity and delayed diagnosis.

Palavras-Chave: mucopolysaccharides; congenital diseases; lysosomes; enzyme activity; malformations; metabolism

GIUGLIANI, ROBERTO; BARTH, ANNELIESE L.; DUMAS, MELISSA R.C.; FRANCO, JOSE F. da S.; GIULIANI, LIANE de R.; GRANGEIRO, CARLOS H.P.; HOROVITZ, DAFNE D.G.; KIM, CHONG A.; LEAO, EMILIA K.E. de A.; MEDEIROS, PAULA F.V. de; MIGUEL, DIEGO S.C.G.; MOREIRA, MARIA E.S.A.; SANTOS, HELENA M.G.P. dos; SILVA, LUIZ C.S. da; SILVA, LUIZ R. da; SOUZA, ISABEL N. de; NALIN, TATIELE; GARCIA, DANIEL. Mucopolysaccharidosis VII in Brazil: natural history and clinical findings. Orphanet Journal of Rare Diseases, v. 16, n. 1, p. 1-9, 2021. DOI: 10.1186/s13023-021-01870-w. Disponível em: http://repositorio.ipen.br/handle/123456789/32374. Acesso em: $DATA.

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Abstract: JOYSpectra is a free-of-charge web platform to perform online calculations of spectroscopic properties of lanthanide-based compounds and materials. It has several features and functionalities to provide a detailed analysis of the intensity parameters. For instance, their dependence on the chemical environment of the lanthanide ion (Ln3+) such as structure and nature of ligating atoms, can be performed automatically and consider covalency and thermal effects. The program can also calculate the intramolecular energy transfer rates from excited donor states up to 310 transitions involving 12 Ln3+ ions. The web platform was designed to be user-friendly for experimentalists and theoreticians interested in calculations and analyses of the photophysical behavior of lanthanides. Its use requires only the structure of the compound and the choices of a few calculation options. To show its easiness and usefulness, a detailed step-by-step calculation and analysis are performed for the [Ln(tta)3(H2O)2] (Ln: Eu and Tb) complexes to explain and quantify their distinct luminescence properties.

Palavras-Chave: rare earths; internet; information systems; spectroscopy; calculators; energy transfer

MOURA JUNIOR, RENALDO T.; CARNEIRO NETO, ALBANO N.; AGUIAR, EDUARDO C.; SANTOS-JUNIOR, CARLOS V.; LIMA, EWERTON M. de; FAUSTINO, WAGNER M.; TEOTONIO, ERCULES E.S.; BRITO, HERMI F.; FELINTO, MARIA C.F.C.; FERREIRA, RUTE A.S.; CARLOS, LUIS D.; LONGO, RICARDO L.; MALTA, OSCAR L. (INVITED) JOYSpectra: a web platform for luminescence of lanthanides. Optical Materials: X, v. 11, p. 1-8, 2021. DOI: 10.1016/j.omx.2021.100080. Disponível em: http://repositorio.ipen.br/handle/123456789/32372. Acesso em: $DATA.

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Abstract: Constructal law explains the sense of evolution (morphing to get access to flows) of finite size systems, but paradoxes do exist as not all vegetables have a tree form. Also, nature does not improve all animals for displacement. This work aims at creating a model to explain those paradoxes about constructal law. It adopted the system engineering technique of segregation between functions (abstract goals) and solutions (physical entities). Further, this work introduced the assumptions of flow under external threats and imperfect channels (subject to leakages and suboptimal form). Results showed that there are always elements doing four functions in all types of channels: to reduce entropy, to protect channel, to retain integrity and to drive flow. Although the four functions are always present, natural systems typically privilege one function over others, depending on environmental demands. As a solution to improve flows, animal brains also fit in the model of four functions. Human mind seems to have groups of instincts associated with each of the four channel design functions, leading to four behavior phenotypes and four motivations (prominence, inclusiveness, negativity prevention and tradition). Finally, this model (channels need to meet four goals) unified physics and animal psychology and extended applications of Constructal law to the fields of systems engineering methods, management, and psychological science.

Palavras-Chave: evolution; engineering; entropy; game theory; biological evolution; design

FREIRE, LUCIANO O.; ANDRADE, DELVONEI A. de. Novel aspects of constructal law: four distinct and competing goals in flow channels design. Open Journal of Applied Sciences, v. 11, n. 6, p. 647-664, 2021. DOI: 10.4236/ojapps.2021.116047. Disponível em: http://repositorio.ipen.br/handle/123456789/32370. Acesso em: $DATA.

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Abstract: Resistive switching (RS) devices are promising forms of non-volatile memory. However, one of the biggest challenges for RS memory applications is the device-to-device (D2D) variability, which is related to the intrinsic stochastic formation and configuration of oxygen vacancy (VO) conductive filaments (CFs). In order to reduce the D2D variability, control over the formation and configuration of oxygen vacancies is paramount. In this study, we report on the Zr doping of TaOx-based RS devices prepared by pulsed-laser deposition as an efficient means of reducing the VO formation energy and increasing the confinement of CFs, thus reducing D2D variability. Our findings were supported by XPS, spectroscopic ellipsometry and electronic transport analysis. Zr-doped films showed increased VO concentration and more localized VOs, due to the interaction with Zr. DC and pulse mode electrical characterization showed that the D2D variability was decreased by a factor of seven, the resistance window was doubled, and a more gradual and monotonic long-term potentiation/depression in pulse switching was achieved in forming-free Zr:TaOx devices, thus displaying promising performance for artificial synapse applications.

Palavras-Chave: tantalum oxides; doped materials; zirconium oxides; memory devices; resistors; oxygen; vacancies

PALHARES, JOAO H.Q.; BEILLIARD, YANN; ALIBART, FABIEN; BONTURIM, EVERTON; FLORIO, DANIEL Z. de; FONSECA, FABIO C.; DROUIN, DOMINIQUE; FERLAUTO, ANDRE S. Oxygen vacancy engineering of TaOx-based resistive memories by Zr doping for improved variability and synaptic behavior. Nanotechnology, v. 32, n. 40, p. 1-8, 2021. DOI: 10.1088/1361-6528/ac0e67. Disponível em: http://repositorio.ipen.br/handle/123456789/32368. Acesso em: $DATA.

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Abstract: The treatment of high-risk patients still is a challenge. The understanding and development non-invasive, non-destructive, and non-ionizing techniques, can help to guide the treatment and the diagnosis of primary and recurrent caries. The present study evaluated the behavior of enamel/restoration interface after a cariogenic challenge by Fourier domain optical coherence tomography (FD-OCT), scanning electron microscopy (SEM) examination, and the fluoride release of the different restorative materials. Cavities (1.5 × 0.5 mm) were performed in enamel surface and divided into groups (n = 8): glass ionomer cement (GIC), resin-modified glass ionomer cement (RMGIC), and resin composite (RC). The samples were submitted to pH-cycling, and the solutions analyzed for cumulative fluoride by ion-analyzer. The morphology was analyzed by SEM through replicas. The optical attenuation coefficient (OAC) was calculated through exponential decay from the images generated by FD-OCT. Data were analyzed considering α = 0.05. OAC values increased for all groups after pH-cycling indicating demineralization (p < .05). Considering the remineralizing solution, RMGIC presented higher fluoride release rate, followed by GIC, while RC did not release any fluoride. Yet for the demineralizing solution, RMGIC and GIC released similar fluoride rates, overcoming RC (p < .05). Micrographs revealed no changes on the restorations margins, although enamel detachment was observed for RC and GIC after pH-cycling.

Palavras-Chave: dentistry; caries; enamels; biological recovery; demineralization; fluorides

RODRIGUES, RAQUEL V.; SAMPAIO, CAMILA S.; GIROTTO, ALINE C.; PINHATTI, CAROLINE P.; IWAMOTO, ALEXSANDRA S.; FREITAS, ANDERSON Z. de; AMBROSANO, GLAUCIA M.B.; PUPPIN-RONTANI, REGINA M.; PASCON, FERNANDA M. Analysis of enamel/restoration interface submitted cariogenic challenge and fluoride release. Microscopy Research and Technique, v. 84, n. 12, p. 2857-2866, 2021. DOI: 10.1002/jemt.23844. Disponível em: http://repositorio.ipen.br/handle/123456789/32366. Acesso em: $DATA.

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Abstract: Non-Thermal Plasma source was used in this work to exfoliated boron-nitride (BN) powders. The generation of hexagonal BN nanosheets (h-BNNSs) few-layered was observed by TEM. The hBN exfoliation occurred along their transverse axis, preserving the hexagonal structure. The micrographs showed ordered lattice fringes with d-spacing of approximately 0.33 nm indicating the increase of (0 0 2) h-BNNSs crystal lattice planes, also confirmed by the relative peak intensity decrease in relation to the other peaks in XRD measures. The few amounts of layers were confirmed by intensity decrease, enlargement, and blue shift of E2 g vibrational mode in Raman spectra. Moreover, the appearance of the FTIR band corresponding to the hydroxyl group occurs due to large amounts of defects such as vacancy defects.

Palavras-Chave: boron nitrides; plasma heating; function generators; two-dimensional systems

SOUZA, RODRIGO F.B. de; MAIA, VICTORIA A.; ZAMBIAZZI, PRISCILLA J.; OTUBO, LARISSA; LAZAR, DOLORES R.R.; NETO, ALMIR O. Facile, clean and rapid exfoliation of boron-nitride using a non-thermal plasma process. Materials Today Advances, v. 12, p. 1-5, 2021. DOI: 10.1016/j.mtadv.2021.100181. Disponível em: http://repositorio.ipen.br/handle/123456789/32364. Acesso em: $DATA.

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Abstract: Sulforaphane (SFN) is an isothiocyanate with anti-arthritic and immuno-regulatory activities, supported by the downregulation of NF-κB pathway, reduction on metalloproteinases expression and prevention of cytokine-induced cartilage degeneration implicated in OA progression. SFN promising pharmacological effects associated to its possible use, by intra-articular route and directly in contact to the site of action, highlight SFN as promising candidate for the development of drug-delivery systems. The association of poloxamers (PL) and hyaluronic acid (HA) supports the development of osteotrophic and chondroprotective pharmaceutical formulations. This study aims to develop PL-HA hybrid hydrogels as delivery systems for SFN intra-articular release and evaluate their biocompatibility and efficacy for osteoarthritis treatment. All formulations showed viscoelastic behavior and cubic phase organization. SFN incorporation and drug loading showed a concentration-dependent behavior following HA addition. Drug release profiles were influenced by both diffusion and relaxation of polymeric chains mechanisms. The PL407-PL338-HA-SFN hydrogel did not evoke pronounced cytotoxic effects on either osteoblast or chondrosarcoma cell lines. In vitro/ex vivo pharmacological evaluation interfered with an elevated activation of NF-κB and COX-2, increased the type II collagen expression, and inhibited proteoglycan depletion. These results highlight the biocompatibility and the pharmacological efficacy of PL-HA hybrid hydrogels as delivery systems for SFN intra-articular release for OA treatment.

Palavras-Chave: hydrogels; pharmacology; polymers; hyaluronic acid; rheumatic diseases

NASCIMENTO, MONICA H.M. do; AMBROSIO, FELIPE N.; FERRARAZ, DEBORA C.; WINDISCH-NETO, HERMANN; QUEROBINO, SAMYR M.; NASCIMENTO-SALES, MICHELLE; ALBERTO-SILVA, CARLOS; CHRISTOFFOLETE, MARCELO A.; FRANCO, MARGARETH K.K.D.; KENT, BEN; YOKAICHIYA, FABIANO; LOMBELLO, CHRISTIANE B.; ARAUJO, DANIELE R. de. Sulforaphane-loaded hyaluronic acid-poloxamer hybrid hydrogel enhances cartilage protection in osteoarthritis models. Materials Science & Engineering C, v. 128, p. 1-15, 2021. DOI: 10.1016/j.msec.2021.112345. Disponível em: http://repositorio.ipen.br/handle/123456789/32362. Acesso em: $DATA.

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Abstract: The (de)hydrogenation properties of a TiFe intermetallic compound (IMC) alloy activated by cold rolling inside a glovebox at ambient temperature were investigated by kinetic measurements, x-ray powder diffraction (XRD), and transmission electron microscopy (TEM). Rate-limiting steps were identified by testing kinetic models on hydrogen absorption and desorption curves. To prevent surface poisoning during air exposure, the TiFe IMC was also cold rolled with polytetrafluoroethylene (PTFE) and ultra-high molecular weight polyethylene (UHMWPE). The addition of either PTFE or UHMWPE to nanostructured TiFe by cold rolling did not produce a polymer-metal composite with O2 poisoning resistance, regardless of the polymer-mixing way adopted. This occurred because large surfaces of the particles were not adequately coated with polymer. The results identify challenges to the TiFe IMC polymer-covered material that must be overcome before a methodology can significantly contribute to the formation of nanostructured TiFe-polymer composites with enhanced hydrogen storage properties. The diffusion-controlled reactions in the cold-rolled TiFe IMC without polymer were prevalent in all cases, as predicted by the Jander three-dimensional diffusion model. The main contribution of this work regards estimation of the amount of hydrogen released, which was 0.60% after 6 min and reproducible for the three subsequent cycles.

Palavras-Chave: intermetallic compounds; titanium compounds; nanostructures; rolling; polymers; simulation; hydrides

OLIVEIRA, VERONA B.; BEATRICE, CESAR A.G.; LEAL NETO, RICARDO M.; SILVA, WAGNER B.; PESSAN, LUIZ A.; BOTTA, WALTER J.; LEIVA, DANIEL R. Hydrogen absorption/desorption behavior of a cold-rolled TiFe intermetallic compound. Materials Research, v. 24, n. 6, p. 1-10, 2021. DOI: 10.1590/1980-5373-MR-2021-0204. Disponível em: http://repositorio.ipen.br/handle/123456789/32360. Acesso em: $DATA.

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