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Development and characterization of 3CaO·P_(2)O_(5)-SiO_(2)-MgO glass-ceramics with different crystallization degree

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Journal of Advanced Ceramics 2013年第4期2卷 378-388页

作者： Juliana Kelmy M.F.DAGUANO Paulo A.SUZUKI Kurt STRECKER JoséMartinho Marques de OLIVEIRA maria helena Figueira Vaz fernandes Claudinei SANTOS Universidade de São Paulo-Escola de Engenharia de Lorena USP-EEL-Pólo Urbo-Industrials/nGleba AI-6Lorena-SPCEP 12600-000Brazil Universidade Federal de São João del-Rei -UFSJ-CENENCampus S^(to)Antônio-Praça Frei Orlando 170-CentroS.J.del-Rei-MG.CEP 36307-352Brazil Escola Superior Aveiro Norte Edifício Rainha3720-232 O.AzeméisPortugal Universidade de Aveiro Campus Universitário de Santiago 3810-193 AveiroPortugal Universidade do Estado do Rio de Janeiro-Faculdade de Tecnologia de Resende-UERJ-FAT-Rod.Presidente Dutra km298Resende-RJCEP 27537-000Brazil

The CaO-P_(2)O_(5)-SiO_(2)-MgO system presents several compounds used as biomaterials such as hydroxyapatite(HA),tricalcium phosphate(TCP)and TCP with magnesium substituting partial calcium(TCMP).Theβ-TCMP phase with whitlockite structure has interesting biological features and mechanical properties,meeting the requirements of a bioactive material for bone *** this work,the production of Mg-doped TCP,β-TCMP,has been investigated by crystallization from a glass composed of 52.75 wt%3CaO·P_(2)O_(5),30 wt%SiO_(2)and 17.25 wt%MgO(i.e.,31.7 mol%CaO,10.6 mol%P_(2)O_(5),26.6 mol%MgO and 31.1 mol%SiO_(2))using heat treatments between 775℃and 1100℃for up to 8 *** devitrification process of the glass has been accompanied by differential scanning calorimetry(DSC),high-resolution X-ray diffraction(HRXRD),relative density and bending strength *** characterization by HRXRD and DSC revealed the occurrence of whitlockite soon after the bulk glass preparation,a transient non-cataloged silicate between 800℃and 1100℃,and the formation of diopside in samples treated at 1100℃as crystalline *** overall crystalline fraction varied from 26%to 70%depending on the heat ***,contraction of the a-axis lattice parameter and expansion of the c-axis lattice parameter of the whitlockite structure have been observed during the heat treatments,which were attributed to theβ-TCMP formation with the partial substitution of Ca^(2+)by Mg^(2+).Relative densities near 99%and 97%for the glass and glass-ceramics respectively indicated a discrete reduction as a function of the devitrification *** strengths of 70 MPa and 120 MPa were determined for the glass and glass-ceramic material crystallized at 975℃for 4 h,respectively.

关键词： glass-ceramics heat treatment high-resolution X-ray diffraction(HRXRD) bending strength

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Acellular Mineralized Exoskeleton Shrimp (MES): A Natural Source of Bioactive Factors for Tissue Regeneration—Preliminary Results

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Journal of Biosciences and Medicines 2022年第3期10卷 34-43页

作者： Raquel Zita Gomes Rodrigo Valdoleiros e Silva Américo Afonso maria helena fernandes Mário Vasconcelos José Cavalheiro Faculty of Dental Medicine University of Porto Porto Portugal Private Practice (Raquel Zita Dental Clinic) Porto Portugal i3S—Institute for Research and Innovation in Health University of Porto Porto Portugal INEB—National Institute of Biomedical Engineering Porto Portugal ICBAS—Institute of Biomedical Sciences Abel Salazar University of Porto Porto Portugal School of Medicine University of Minho Braga Portugal Department of Histology Faculty of Dental Medicine University of Oporto Porto Portugal Department of Pharmacology Faculty of Dental Medicine University of Oporto Porto Portugal Department of Biomaterials Faculty of Dental Medicine University of Oporto Porto Portugal Faculty of Engineering University of Oporto Porto Portugal

Current challenges in the development of scaffolds for bone regeneration include the engineering of biomaterials that can withstand a natural dynamic physiology on the bone that provides a matrix capable of supporting cell migration and tissue ingrowth. The objective of the present work was to develop and characterize a new biomembrane—Mineralized Exoskeleton Shrimp (MES) developed from the exoskeleton of paleomonetes. The integration of MES as a biomaterial for tissue regeneration relies on the growing evidence that the shrimp is characterized by a hierarchically arranged chitin fiber structure, mineralized predominately by calcium carbonate and/or calcium phosphate, bringing beneficial effects in bone regeneration. Additionally, the tridimensional MES structure, can act as a “tent” for Guided Bone Regeneration (GBR). Recently, our team has characterized the MES biomaterial by in vitro (human osteoblastic cellular cultures and immersion of the membrane in modified synthetic plasma) and in vivo (soft tissue in lab mice and hard tissue in rabbit model). The cellular growth in the MES membrane was very exuberant in cellular culture with osteoblastic colonization on its surface (histophilic and biocompatible). After the immersion in modified synthetic plasma for one week, a mass mineralization occurred throughout the membrane’s surface (bioactive). The analysis of histological samples from experimental surgery in lab mice showed that the MES membrane wasn’t toxic to soft tissues and that it caused a moderate inflammatory response (first reabsorption signs at 8 weeks). The MES could act as a cell-guiding template that contains the necessary cues and adequate three-dimensional set to facilitate cell adhesion and promote tissue regeneration upon implantation and subsequent biodegradation.

关键词： Guided Bone Regeneration Biomaterial Biocompatibility Oral Surgery

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Antimicrobial Activity, Structural, Crystallographic and Thermal Characteristics of Alpha-Titanium Phosphate Promoted by Silver Ions

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Materials Sciences and Applications 2024年第8期15卷 253-269页

作者： Enzo Erbisti Garcia Agnes maria Cupertino fernandes Araujo Gerson Alberto Valencia Albitres Daniela de França da Silva Freitas Danielle Mattos mariano Carlos Magno Fialho Soares Sibele Piedade Cestari Marco Antônio Lemos Miguel Luis Claudio Mendes Institute of Macromolecules Professora Eloisa Mano Federal University of Rio de Janeiro Avenida Horacio Macedo 2030 Centro de Tecnologia Bloco J Ilha do Fundo Rio de Janeiro Brazil Institute of Microbiology Paulo de Ges Federal University of Rio de Janeiro Centro de Ciencias da Saude Bloco I Ilha do Fundo Rio de Janeiro Brazil Innovation in Polymer Engineering (PIEP) University of Minho Guimares Portugal

The recent global spread of the pandemic underscores the necessity of seeking new materials effective against microorganisms. Nanotechnology offers avenues for developing multifunctional materials. In this study, alpha-titanium phosphate (α-TiP) nanoparticles were synthesized and treated with silver salt to enhance their antimicrobial properties. The physicochemical characteristics and antimicrobial activity were evaluated. It was revealed by X-ray diffraction analysis that the structural integrity of α-TiP was influenced by ethylenediamine and silver ions. Distinct degradation profiles for each chemical modification were shown by thermogravimetric analysis. Infrared spectroscopy detected shifts and new absorption peaks in the spectra depending on the type of modification. Energy dispersive spectroscopy confirmed the disaggregation of α-TiP galleries following the addition of silver salt, which increased their effectiveness against microorganisms. Notably, only the sample treated with silver ions exhibited antimicrobial action. Antimicrobial activity was tested against the bacteria of medical importance Escherichia coli, Salmonella Enteritidis, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus cereus, Listeria momocytogenes and the yeast Candida albicans. All microorganisms were inhibited by sample containing silver. Minor inhibition was observed against the Gram-positive bacteria L. monocytogenes and Bacillus cereus, while the greatest inhibition occurred against the fungus (yeast) C. albicans. The results revealed a potential application of the nanoparticles for control of microorganisms in public health.

关键词： Titanium Phosphate Silver Nitrate Antimicrobial Action

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Anal canal gastrointestinal stromal tumors:Case report and literature review

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World Journal of Gastroenterology 2014年第1期20卷 319-322页

作者： Nuno Carvalho Diogo Albergaria Rui Lebre Joo Giria Vitor fernandes helena Vidal maria José Brito Department of General Surgery Garcia de Orta Hospital2801-951 AlmadaPortugal Department of Gastroenterology Garcia de Orta Hospital2801-951 AlmadaPortugal Department of Radiology Garcia de Orta Hospital2801-951 AlmadaPortugal Department of Pathology Garcia de Orta Hospital2801-951 AlmadaPortugal

Gastrointestinal stromal tumors (GIST) are an uncommon group of tumors of mesenchymal origin. GIST of the anal canal is extremely rare. At present, only 10 cases of c-kit positive anal GIST have been reported in the literature. There is no widely accepted treatment approach for this neoplasia. Literature is sparse on imaging evaluation of anal canal GIST, usually described as a lesion in the intersphincteric space. We describe the case of a 73-year-old man with a mass in the anal canal, and no other symptoms. Endoanal ultrasound and magnetic resonance imaging showed a well circumscribed solid nodule in the intersphincteric space. The patient was treated by local excision. Gross pathological examination showed a 7 cm × 3.5 cm × 3 cm mass, and histological examination showed a proliferation of spindle cells, with prominent nuclear palisading. The mitotic count was of 12 mitoses/50 HPF. The tumor was positive for KIT protein, CD34 and vimentin in the majority of cells, and negative for desmin and S100. A diagnosis of GIST, with high risk aggressive behavior was made. An abdomino-perineal resection was discussed, but refused. The follow-up included clinical evaluation and anal ultrasound. After 5 years the patient is well, with maintained continence and no evidence of local recurrence.

关键词： Gastrointestinal stromal tumors Anal canal Endoanal ultrasound Magnetic resonance imaging C-Kit receptor Local excision

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Quantifying Electronic Effects in QM and QM/MM Biomolecular Modeling with the Fukui Function

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物理化学学报 2018年第1期34卷 81-91页

作者： QI helena W. KARELINA maria KULIK Heather J. Department of Chemical Engineering Massachusetts Institute of Technology Cambridge MA 02139 USA. Department of Chemistry Massachusetts Institute of Technology Cambridge MA 02139 USA.

Multi-scale quantum-mechanical/molecular-mechanical(QM/MM) and large-scale QM simulation provide valuable insight into enzyme mechanism and structure-property relationships. Analysis of the electron density afforded through these methods can enhance our understanding of how the enzyme environment modulates reactivity at the enzyme active site. From this perspective, tools from conceptual density functional theory to interrogate electron densities can provide added insight into enzyme function. We recently introduced the highly parallelizable Fukui shift analysis(FSA) method, which identifies how frontier states of an active site are altered by the presence of an additional QM residue to identify when QM treatment of a residue is essential as a result of quantum-mechanically affecting the behavior of the active site. We now demonstrate and analyze distance and residue dependence of Fukui function shifts in pairs of residues representing different non-covalent interactions. We also show how the interpretation of the Fukui function as a measure of relative nucleophilicity provides insight into enzymes that carry out S_N2 methyl transfer. The FSA method represents a promising approach for the systematic, unbiased determination of quantum mechanical effects in enzymes and for other complex systems that necessitate multi-scale modeling.

关键词：《物理化学学报》期刊编辑工作发行工作

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Siderophore-Producing Rhizobacteria as a Promising Tool for Empowering Plants to Cope with Iron Limitation in Saline Soils:A Review

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Pedosphere 2019年第4期29卷 409-420页

作者： maria J.FERREIRA helena SILVA Angela CUNHA Biology Department and Centre for Environmental and Marine Studies(CESAM) University of Aveiro Campus de Santigo

Iron(Fe) bioavailability to plants is reduced in saline soils;however, the exact mechanisms underlying this effect are not yet completely understood. Siderophore-expressing rhizobacteria may represent a promising alternative to chemical fertilizers by simultaneously tackling salt-stress effects and Fe limitation in saline soils. In addition to draught, plants growing in arid soils face two other major challenges: high salinity and Fe deficiency. Salinity attenuates growth, affects plant physiology, and causes nutrient imbalance,which is, in fact, one of the major consequences of saline stress. Iron is a micronutrient essential for plant development, and it is required by several metalloenzymes involved in photosynthesis and respiration. Iron deficiency is associated with chlorosis and low crop productivity. The role of microbial siderophores in Fe supply to plants and the effect of plant growth-promoting rhizobacteria(PGPR) on the mitigation of saline stress in crop culture are well documented. However, the dual effect of siderophore-producing PGPR, both on salt stress and Fe limitation, is still poorly explored. This review provides a critical overview of the combined effects of Fe limitation and soil salinization as challenges to modern agriculture and intends to summarize some indirect evidence that argues in favour of siderophore-producing PGPR as biofertilization agents in salinized soils. Recent developments and future perspectives on the use of PGPR are discussed as clues to sustainable agricultural practices in the context of present and future climate change scenarios.

关键词： aridity bioavailability biofertilizer Fe deficiency high salinity plant growth-promoting rhizobacteria(PGPR) saline stress soil salinization

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In Silico and in Vitro Analysis of Pyrazolone Derivatives against Zika Virus and Identification of Potential NS5 Methyltransferase Inhibitors by Molecular Docking

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Journal of Biosciences and Medicines 2024年第7期12卷 214-229页

作者： Luciene Soares Silva Tiago Soares Barbosa maria Leonisa Sanchez-Nuñez Aldenise Mont Serrat Rosa da Silva Vitor Won-Held Rabelo Leonardo dos Santos Corrêa Amorim Leonardo Alves Miceli Percilene Fazolin Vegi Alice Bernardino helena Carla Castro Izabel Christina Nunes de Palmer Paixão Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niteri Brazil Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Antibiotics Biochemistry Teaching and Molecular Modeling Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Organic Chemistry at the Institute of Chemistry Institute of Biology Fluminense Federal University Niterói Brazil

Zika virus (ZIKV), a mosquito-borne flavivirus, has been associated with benign infections for decades. However, it has become a public health concern due to its association with severe fetal and neurological complications. Although many efforts have been made to control ZIKV infection, approved vaccines or antiviral drugs are still lacking. Consequently, the development of new effective anti-ZIKV agents is urgently needed. In this context, we investigated the antiviral potential of pyrazolone derivatives against ZIKV replication using in silico and in vitro methods. The four pyrazolone derivatives evaluated (1a, 1b, 1c, and 1d) inhibited over 50% of ZIKV replication with low cytotoxicity. Among them, compound 1b exhibited the most potent activity (EC50 = 4.3 μM) and the highest selectivity (SI = 342). Mechanism of action studies indicated that these compounds act at early stages of virus replication, and compound 1b can also directly inactivate ZIKV particles. Molecular docking studies suggested that these compounds can bind to and block the activity of ZIKV NS5 methyltransferase. Finally, pharmacokinetic and toxicological predictions have reinforced the safety and drug-like profiles of these derivatives. In conclusion, the pyrazolone scaffold proved to be valuable for anti-ZIKV drug development, and the derivatives studied deserve further investigation.

关键词： Zika Pyrazolone NS5 Methyltransferase Antivirals

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Experimental evidence for heritable reproductive time in 2 allochronic populations of pine processionary moth

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Insect Science 2017年第2期24卷 325-335页

作者： Manuela Branco maria-Rosa Paiva helena maria Santos Christian Burban Carole Kerdelhue Centro de Estudos Florestais (CEF) Instituto Superior de Agronomia (ISA) Universidade de Lisboa (ULisboa) 1349-017 Lisboa Portugal CENSE Faculty of Sciences and Technology (FCT) Universidade Nova de Lisboa (UNL) 2829-516 Caparica Portugal INRA Centre de Bordeaux UMR1202 BIOGECO Cestas cedex France INRA Centre de Montpellier UMR CBGP F-34988 Montferrier-sur-Lez cedex France

Phenology allows organisms to overcome seasonally variable conditions through life-cycle adjustment. Changes in phenology can drastically modify the evolutionary tra- jectory of a population, while a shift in the reproductive time may cause allochronic differentiation. The hypothesis of heritable reproductive time was experimentally tested, by studying a unique population of the pine processionary moth Thaumetopoeapityocampa （Den. ＆ Schiff.） which has a shifted phenology, and however co-occurs with the typical population following the classical life cycle. When populations of both types were reared under controlled conditions, the reproductive time was maintained asynchronous, as ob- served in the field. The shifted population was manipulated in the laboratory to reproduce later than usual, yet the offspring emerged in the next year at the expected dates thus ＂com- ing back＂ to the usual cycle. Hybrids from crosses performed between the 2 populations showed an intermediate phenology. From the emergence times of parents and offspring, a high heritability of the reproductive time （h = 0.76） was observed. The offspring ob- tained from each type of cross was genetically characterized using microsatellite markers. Bayesian clustering analysis confirmed that hybrids can he successfully identified and separated from the parental genetic classes by genotyping. Findings support the hypothesis that, for this particular population, incipient allochronic speciation is due to a heritable shift in the reproductive time that further causes assortative mating and might eventually cause ecological adaptation/maladaptation in response to environmental changes.

关键词： allochronic speciation experimental crossings heritability phenology reproductive isolation Thaumetopoeapityocampa

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Molecular evaluation of glutathione S transferase family genes in patients with sporadic colorectal cancer

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World Journal of Gastroenterology 2018年第39期24卷 4462-4471页

作者： Gabriela helena Rodrigues-Fleming Glaucia maria de Mendonca fernandes Anelise Russo Patrícia Matos Biselli-Chicote Joao Gomes Netinho Erika Cristina Pavarino Eny maria Goloni-Bertollo Genetics and Molecular Biology Research Unit-UPGEM Sao Jose do Rio Preto Medical SchoolFAMERPSao Jose do Rio PretoSP 15090-000Brazil Department of Surgery and Coloproctology Sao Joes do Rio Preto Medical SchoolFAMERPSao Joes do Rio PretoSP 15090-000Brazil

AIM To evaluate the association between polymorphismsin glutathione S transferases(GSTs) and the risk of sporadic colorectal cancer(SCRC), tumor progression and the survival of *** A case-control study of 970 individuals from the Brazilian population was conducted(232 individuals from the case group with colorectal cancer and 738 individuals from the control group without a history of cancer). PCR multiplex and PCR-RFLP techniques were used to genotype the GST polymorphisms. The tumors were categorized according to the TNM classification: tumor extension(T), affected lymph nodes(N), and presence of metastasis(M). Logistic regression, multiple logistic regression and survival analysis were used to analyze the data. The results are presented in terms of odds ratio(OR) and 95% confidence interval(CI). The level of significance was set at 5%(P ≤ 0.05).RESULTS Age equal to or over 62 years(OR = 8.79; 95%CI: 5.90-13.09, P < 0.01) and female gender(OR = 2.91; 95%CI: 1.74-4.37; P < 0.01) were associated with increased risk of SCRC. Analysis of the polymorphisms revealed an association between the GSTM1 polymorphisms and a risk of SCRC(OR = 1.45; 95%CI: 1.06-2.00; P = 0.02), as well as between GSTT1 and a reduced risk of the disease(OR = 0.65; 95%CI: 0.43-0.98; P = 0.04). An interaction between the presence of the wild-type allele of GSTP1 Ile105 Val polymorphism and tobacco consumption on risk of SCRC(OR = 2.33; 95%CI: 1.34-4.05; P = 0.05) was observed. There was an association between the GSTM1 null genotype and the presence of advanced tumors(OR = 2.33; 95%CI: 1.23-4.41; P = 0.009), as well as increased risk of SCRC in the presence of a combination of GSTT1 non-null/GSTM1 null genotypes(OR = 1.50; 95%CI: 1.03-2.19; P = 0.03) and GSTT1 non-null/GSTM1 null/GSTP1 Val~*(OR = 1.85; 95%CI: 1.01-3.36, P = 0.04). Combined GSTT1 non-null/GSTM1 null genotypes(OR = 2.40; 95%CI: 1.19-4.85; P = 0.01) and GSTT1 non-null/GSTM1 null/GSTP1 Val~*(OR = 2.92; 95%CI: 1.05-8.12; P

关键词： Colorectal neoplasms Smoking Alcohol Glutathione S transferase Genetic polymorphisms

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Development of a Ready-to-Use PSMA-11 Kit Formulation and Biological Evaluation of Binding Affinity

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Advances in Molecular Imaging 2024年第2期13卷 7-22页

作者： maria Renata Valente Brandão Freire Natália Marchesan Bexiga Marco Antonio Stephano João Ezequiel Oliveira Carlos Roberto Jorge Soares Ana Cláudia Camargo Miranda Anna Carolina de Alcântara Barbosa Marycel Figols de Barboza Laura Fernanda Garcia Luiz Felipe S. Teixeira maria helena Marumo Bellini Natanael Gomes da Silva Luiza Mascarenhas Balieiro Joel Mendes Elaine Bortoleti de Araújo Centro de Radiofarmcia Instituto de Pesquisas Energticas e Nucleares (IPEN) Cidade Universitria So Paulo Brasil Departamento de Tecnologia Farmacutica Faculdade de Cincias Farmacuticas (USP) Cidade Universitria So Paulo Brasil Centro de Biotecnologia Instituto de Pesquisas Energticas e Nucleares (IPEN) Cidade Universitria So Paulo Brasil Departamento de Medicina Nuclear do Hospital Israelita Albert Einstein So Paulo/SP Brasil

Introduction: 68Ga-PSMA-11 is considered the gold standard in detection of micro and oligometastases in advanced prostate cancer, being used for therapeutic planning, as well as, potentially, for evaluating response to treatment. The development of ready-to-use lyophilized kit of PSMA-11 adds quality and safety to the routine use of this radiopharmaceutical and represents a pharmacotechnical challenge as it must preserve the integrity and specificity of the ligand. Methods: PSMA-11 kit formulation was proposed, considering radiolabeling parameters and the preservation of the peptide during the lyophilization process, using mannitol as an excipient. Critical temperature characterization studies were carried out using DSC equipment and the freeze-drying process was developed. The direct radiolabeling conditions were evaluated and standardized using 68Ge/68Ga generator eluate from two different manufacturers (ITG and Eckert & Ziegler). The radiochemical purity was evaluated by TLC and HPLC. Biological evaluation was carried out with lyophilized PSMA-11 to demonstrate the integrity of the peptide and preservation of biological activity after the lyophilization process. Results: Based on critical temperature characterization studies, the freeze-drying cycle was designed to reach a freezing temperature of around −40˚C and primary drying at 2˚C. Using 20 mg of mannitol, an intact and elegant lyophilized cake was obtained. PSMA-11 lyophilized kit was directly labeled with 68Ga eluate from 68Ge/68Ga GMP generators (ITG and Eckert & Ziegler) resulting in % RP > 95% at pH 4.0 to 4.5. The results obtained from in vitro and in vivo biological competition studies confirmed the preservation of PSMA-11 affinity for the receptor after lyophilization. Conclusion: A lyophilized formulation (Kit) of PSMA-11 was successfully obtained, which preserved the integrity and biological activity of the peptide and guaranteed radiolabeling efficiency.

关键词： 68Ga-PSMA-11 Prostate-Specific Membrane Antigen (PSMA) Ready-to-Use Kit GMP-Grade Generators Metastatic Prostate Cancer PET Imaging

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