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Open Journal of Rheumatology and Autoimmune Diseases 2014年第3期4卷 146-152页

作者： Damien Mikael Hansra Mario Ponce Francisco Socola maria helena restrepo Department of Hematology/Oncology Sylvester Comprehensive Cancer Institute Jackson Memorial Hospit-al/University of Miami Miami Florida USA Department of Hematology/Oncology Sylvester Comprehensive Cancer Institute University of Miami Miami Florida USA Department of Medicine Jackson Memorial Hospital/University of Miami Miami Florida USA

A Pleural mass biopsy was performed showing an invasive thymoma. Computed tomography (CT) scan of the chest performed on admission revealed a left sided pleural mass, anterior mediastinal mass, lymphadenopathy and pericardial effusion. Pleural mass biopsy showed an invasive thymoma. Due to her clinical presentation, a complete work-up was performed revealing paraneoplastic systemic lupus erythematous (SLE), myasthenia gravis (MG) and hypogammaglobulinemia. We reviewed the literature regarding thymoma and its relationship with paraneoplastic SLE, MG and hypogammaglobulinemia.

关键词： Thymoma Paraneoplastic Systemic Lupus Erythematosus Myasthenia Gravis Hypogammaglobulinemia

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

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

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

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

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

Survival predictors in patients treated with a molecular adsorbent recirculating system

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World Journal of Gastroenterology 2009年第24期15卷 3015-3024页

作者： Taru Kantola Anna-maria Koivusalo Satu Parmanen Krister Hckerstedt helena Isoniemi Department of Anesthesiology and Intensive Care Medicine Surgical Hospital of HelsinkiHelsinki University Central Hospital Department of Mathematics and Statistics University of Helsinki Transplantation and Liver Surgery Clinic Helsinki University Central Hospital

AIM:To identify prognostic factors for survival in patients with liver failure treated with a molecular adsorbent recirculating system(MARS). METHODS:MARS is a liver-assisting device that has been used in the treatment of liver failure to enable native liver recovery,and as a bridge to liver transplantation(LTX).We analyzed the 1-year outcomes of 188 patients treated with MARS,from 2001 to 2007, in an intensive care unit specializing in liver disease. Demographic,clinical and laboratory parameters were recorded before and after each ***-year survival and the number of LTXs were *** regression analysis was performed to determine factors predicting survival. RESULTS:The study included 113 patients with acute liver failure(ALF),62 with acute-on-chronic liver failure(AOCLF),11 with graft failure(GF),and six with miscellaneous liver *** was performed for 29% of patients with ALF,18% with AOCLF and 55%with *** overall 1-year survival rate was 74% for ALF,27% for AOCLF,and 73% for *** poorest survival rate,6%,was noted in non-transplanted patients with alcohol-related AOCLF and cirrhosis,whereas,patients with enlarged and steatotic liver had 55% *** etiology of liver failure was the most important predictor of survival(P<0.0001).Other prognostic factors were encephalopathy(P=0.001)in paracetamol-related ALF, coagulation factors(P=0.049)and encephalopathy(P=0.064)in non-paracetamol-related toxic ALF,and alanine aminotransferase(P=0.013)and factor V levels(P =0.022)in ALF of unknown etiology. CONCLUSION:The etiology of liver disease was the most important prognostic *** treatment appears to be ineffective in AOCLF with end-stage cirrhosis without an LTX option.

关键词： Molecular adsorbent recirculating system Prognostic factors Acute liver failure Acute-on-chronic liver failure Liver transplantation

Iron homeostasis and H63D mutations in alcoholics with and without liver disease

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World Journal of Gastroenterology 2009年第1期15卷 106-111页

作者： mariana Verdelho Machado Paula Ravasco Alexandra Martins maria Rosário Almeida maria Ermelinda Camilo helena Cortez-Pinto Unidade de Nutrio e Metabolismo Instituto de Medicina Molecular Faculdade de Medicina da Universidade de Lisboa1649-035 Departamento de Gastrenterologia do Hospital de Santa maria 1649-035 Lisboa Portugal Genomed Instituto de Medicina Molecular1649-035 Portugal

MM： To evaluate the prevalence of HFE gene mutation and indices of disturbed iron homeostasis in alcoholics with and without liver disease. METHODS： One hundred and fifty-three heavy drinkers （defined as alcohol consumption 〉 80 g/d for at least 5 years） were included in the study. These comprised 78 patients with liver disease [liver disease alcoholics （LDA）] in whom the presence of liver disease was confirmed by liver biopsy or clinical evidence of hepatic decompensation, and 75 subjects with no evidence of liver disease, determined by normal liver tests on two occasions [non-liver disease alcoholics （NLDA）], were consecutively enrolled. Serum markers of iron status and HFE C282Y and H63D mutations were determined. HFE genotyping was compared with data obtained in healthy blood donors from the same geographical area. RESULTS： Gender ratio was similar in both study groups. LDA patients were older than NLDA patients （52 ± 10 years vs 48 ± 11 years, P = 0.03）. One third and one fifth of the study population had serum transferrin saturation （TS） greater than 45% and 60% respectively. Serum iron levels were similar in both groups. However, LDA patients had higher TS （51 ± 27 vs 36 ± 13, P 〈 0.001） and ferritin levels （559 ± 607 ng/mL vs 159 ± 122 ng/mL, P 〈 0.001）, and lower total iron binding capacity （TIBC）（241 ± 88 μg/dL vs 279 ± 40 μg/dL, P = 0.001）. The odds ratio for having liver disease with TS greater than 45% was 2.20 （95% confidence interval （CI）： 1.37-3.54）. There was no difference in C282Y allelic frequency between the two groups. However, H63D was more frequent in LDA patients （0.25 vs 0.16, P = 0.03）. LDA patients had a greater probability of carrying at least one HFE mutation than NLDA patients （49.5% vs 31.6%, P = 0.02）. The odds ratio for LDA in patients with H63D mutation was 1.57 （95% CI： 1.02-2.40）. CONCLUSION： The present study confirms the presence of iron overload in alcoholics, which was more severe in the subset of subjects with liver disease,

关键词： Alcoholic liver disease Iron lIFE gene H63D Hemochromatosis

Improving the haploidization toolbox:Maternal factors take the stage

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Molecular Plant 2023年第4期16卷 651-653页

作者： maria Flores-Tornero helena Sapeta Jorg D.Becker Instituto de Tecnologia Quimica e Biologica Universidade Nova de LisboaAv.daRepublica2780-157OeirasPortugal

Plant breeders have a great interest in obtaining plants that are genetically homogeneous as quickly as possible,with high efficiency and at low *** approaches,including selfing or backcrossing,cannot provide *** technologies,however,offer a solution and are therefore the subject of intensive research,in particular during the last decade.

关键词： breed homogeneous quickly

Analyses of Sexual Reproductive Success in Transgenic and/or Mutant Plants

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Journal of Integrative Plant Biology 2009年第8期51卷 719-726页

作者： Cristiane P. G. Calixto Gustavo H. Goldman maria helena S. Goldman Departamento de Biologia Faculdade de Filosofia Ciências e Letras de Ribeirao PretoUniversidade de So Paulo 14040-901 Brazil PPG Departamento de Gentica Faculdade de Medicina de Ribeiro PretoUniversidade de So Paulo 14049-900 Brazil Departamento de C. Farmacêuticas Faculdade de Ciências Farmacêuticas de Ribeiro PretoUniversidade de So Paulo 14040-903 Brazil Departamento de Biologia Faculdade de Filosofia Ciências e Letras de Ribeirao Preto Universidade de So Paulo 14040-901 Brazil

The pistil, the female reproductive organ of plants, is a key player in the success of sexual plant reproduction. Ultimately, the production of fruits and seeds depends on the proper pistil development and function. Therefore, the identification and characterization of pistil expressed genes is essential for a better understanding and manipulation of the plant reproduction process. For studying the function of pistil expressed genes, transgenic and/or mutant plants for the genes of interest are used. The present article provides a review of methods already exploited to analyze sexual reproductive success. We intend to supply useful information and to guide future experiments in the study of genes affecting pistil development and function.

关键词： knockout mutant plants overexpression transgenic plants pistil expressed genes plant sexual reproduction reproductive success silenced transgenic plants.