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1.
J Comput Chem ; 2024 Aug 30.
Artigo em Inglês | MEDLINE | ID: mdl-39212065

RESUMO

Fourteen substituted diketopyrrolopyrrole (DPP) molecules in a donor (D)-acceptor (DPP)-donor (D) arrangement were designed. We employed density functional theory, time-dependent DFT, DFT-MRCI and the ab initio wave function second-order algebraic diagrammatic construction (ADC(2)) methods to investigate theoretically these systems. The examined aromatic substituents have one, two, or three hetero- and non-hetero rings. We comprehensively investigated their optical, electronic, and charge transport properties to evaluate potential applications in organic electronic devices. We found that the donor substituents based on one, two, or three aromatic rings bonded to the DPP core can improve the efficiency of an organic solar cell by fine-tuning the highest occupied molecular orbital/lowest unoccupied molecular orbital levels to match acceptors in typical bulk heterojunctions acceptors. Several properties of interest for organic photovoltaic devices were computed. We show that the investigated molecules are promising for applications as donor materials when combined with typical acceptors in bulk heterojunctions because they have appreciable energy conversion efficiencies resulting from their low ionization potentials and high electron affinities. This scenario allows a more effective charge separation and reduces the recombination rates. A comprehensive charge transfer analysis shows that D-A (DDP)-D systems have significant intramolecular charge transfer, further confirming their promise as candidates for donor materials in solar cells. The significant photophysical properties of DPP derivatives, including the high fluorescence emission, also allow these materials to be used in organic light-emitting diodes.

2.
Support Care Cancer ; 32(3): 180, 2024 Feb 22.
Artigo em Inglês | MEDLINE | ID: mdl-38386075

RESUMO

PURPOSE: The objective of this study is to identify the beliefs, values, perceptions, and experiences of medical oncology, radiation oncology, and clinical haematology professionals about the advance care planning process. METHODS: Qualitative exploratory study. There were four focus groups with 14 nurses and 12 physicians (eight medical oncology, one radiation oncology, three haematology). A reflexive thematic analysis of the data obtained was performed. RESULTS: We identified 20 thematic categories, which we grouped into four themes: lack of knowledge about advance care planning; perception of the advance care planning process: knowledge acquired from practice; barriers and facilitators for the implementation of advance care planning; and communication as a key aspect of advance care planning. CONCLUSIONS: The participants valued advance care planning as an early intervention tool that promotes autonomy. They perceived difficulties in approaching planning due to lack of knowledge, training, and time. They identified the therapeutic relationship with the person, the participation of the person's loved ones, teamwork, and communication skills as essential to ensuring the quality of the process. Finally, they recognised that palliative care professionals provide added value in supporting planning processes.


Assuntos
Planejamento Antecipado de Cuidados , Hematologia , Humanos , Pesquisa Qualitativa , Grupos Focais , Comunicação
3.
J Comput Chem ; 44(31): 2424-2436, 2023 Dec 05.
Artigo em Inglês | MEDLINE | ID: mdl-37638684

RESUMO

The alternant polycyclic aromatic hydrocarbon pyrene has photophysical properties that can be tuned with different donor and acceptor substituents. Recently, a D (donor)-Pyrene (bridge)-A (acceptor) system, DPA, with the electron donor N,N-dimethylaniline (DMA), and the electron acceptor trifluoromethylphenyl (TFM), was investigated by means of time-resolved spectroscopic measurements (J. Phys. Chem. Lett. 2021, 12, 2226-2231). DPA shows great promise for potential applications in organic electronic devices. In this work, we used the ab initio second-order algebraic diagrammatic construction method ADC(2) to investigate the excited-state properties of a series of analogous DPA systems, including the originally synthesized DPAs. The additionally investigated substituents were amino, fluorine, and methoxy as donors and nitrile and nitro groups as acceptors. The focus of this work was on characterizing the lowest excited singlet states regarding charge transfer (CT) and local excitation (LE) characters. For the DMA-pyrene-TFM system, the ADC(2) calculations show two initial electronic states relevant for interpreting the photodynamics. The bright S1 state is locally excited within the pyrene moiety, and an S2 state is localized ~0.5 eV above S1 and characterized as a donor to pyrene CT state. HOMO and LUMO energies were employed to assess the efficiency of the DPA compounds for organic photovoltaics (OPVs). HOMO-LUMO and optical gaps were used to estimate power conversion and light-harvesting efficiencies for practical applications in organic solar cells. Considering the systems using smaller D/A substituents, compounds with the strong acceptor NO2 substituent group show enhanced CT and promising properties for use in OPVs. Some of the other compounds with small substituents are also found to be competitive in this regard.

4.
Pediatr Crit Care Med ; 23(10): 831-835, 2022 10 01.
Artigo em Inglês | MEDLINE | ID: mdl-35853203

RESUMO

OBJECTIVES: To evaluate the association between pediatric functional status at hospital discharge after PICU admission and hospital readmission within 1 year. DESIGN: Prospective longitudinal study. SETTING: Two PICUs in tertiary hospitals in South Brazil. PATIENTS: Children and adolescents admitted to the PICU. INTERVENTIONS: None. MEASUREMENTS AND MAIN RESULTS: We evaluated the following: clinical and sociodemographic characteristics, functional status using the Functional Status Scale-Brazil (FSS-Brazil) at baseline and at hospital discharge, and hospital readmission within 1 year. Hospital readmission risk was associated with possible related factors using Cox regression to estimate the hazard ratio (HR). A total of 196 patients completed the follow-up. At hospital discharge, 39.3% of children had some degree of decline in FSS-Brazil, and 38.3% had at least one nonelective hospital readmission within 1 year. FSS-Brazil rating at hospital discharge was associated with the risk of hospital readmission within 1 year (HR, 1.698; 95% CI, 1.016-2.838). CONCLUSION: FSS-Brazil rating at hospital discharge, age, and length of stay were associated with greater hazard of nonelective hospital readmission within 1 year of discharge.


Assuntos
Unidades de Terapia Intensiva Pediátrica , Readmissão do Paciente , Adolescente , Criança , Seguimentos , Estado Funcional , Humanos , Tempo de Internação , Estudos Longitudinais , Alta do Paciente , Estudos Prospectivos , Estudos Retrospectivos , Fatores de Risco
5.
J Biol Inorg Chem ; 25(7): 963-978, 2020 10.
Artigo em Inglês | MEDLINE | ID: mdl-32914401

RESUMO

Several studies with substitution-inert polynuclear platinum(II) complexes (SI-PPC) have been carried out in recent years due to the form of DNA binding presented by these compounds. This form of bonding is achieved by molecular recognition through the formation of non-covalent structures, commonly called phosphate clamps and forks, which generate small extensions of the major and minor grooves. In this work, we use molecular dynamics simulations (MD) to study the formation of these cyclical structures between six different SI-PPCs and a double DNA dodecamer, here called 24_bp_DNA. The results showed the influence of the complex expressed on the number of phosphate clamps and forks formed. Based on the conformational characterization of the DNA fragment, we show that the studied SI-PPCs interact preferentially in the minor groove, causing groove spanning, except for two of them, Monoplatin and AH44. The phosphates of C-G pairs are the main sites for such non-covalent interactions. The Gibbs interaction energy of solvated species points out to AH78P, AH78H, and TriplatinNC as the most probable ones when coupled with DNA. As far as we know, this work is the very first one related to SI-PPCs which brings MD simulations and a complete analysis of the non-covalent interactions with a double DNA dodecamer.


Assuntos
Complexos de Coordenação/química , Complexos de Coordenação/metabolismo , DNA/metabolismo , Simulação de Dinâmica Molecular , Platina/química , DNA/química , Conformação de Ácido Nucleico , Termodinâmica
6.
Prep Biochem Biotechnol ; 50(3): 226-233, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-31661372

RESUMO

Traditionally, chymosin has been used for milk-clotting, but this naturally occurring enzyme is in short supply and its use has raised religious and ethical concerns. Because milk-clotting peptidases are a promising substitute for chymosin in cheese preparation, there is a need to find and test the specificity of these enzymes. Here, we evaluated the milk-clotting properties of an aspartic peptidase secreted by Rhizopus microsporus. The molecular mass of this enzyme was estimated at 36 kDa and Pepstatin A was determined to be an inhibitor. Optimal activity occurred at a pH of 5.5 and a temperature range of 50-60 °C, but the peptidase was stable in the pH range of 4-7 and a temperature as low as 45 °C. Proteolytic activity was significantly reduced in the presence of Cu2+ and Al3+. When enzyme substrates based on FRET were used, this peptidase exhibited the highest catalytic efficiency for Abz-KNRSSKQ-EDDnp (4,644 ± 155 mM-1.s-1), Abz-KLRSSNQ-EDDnp (3,514 ± 130 mM-1.s-1), and Abz-KLRQSKQ-EDDnp (3,068 ± 386 mM-1.s-1). This study presents a promising peptidase for use in cheese making, due to its high stability in the presence of Ca2+ and broad pH range of 4-7, in addition to its ability to efficiently clot milk.


Assuntos
Ácido Aspártico Proteases/química , Proteínas Fúngicas/química , Leite/química , Rhizopus/enzimologia , Animais , Bovinos , Concentração de Íons de Hidrogênio
7.
Pediatr Crit Care Med ; 20(10): e457-e463, 2019 10.
Artigo em Inglês | MEDLINE | ID: mdl-31261232

RESUMO

OBJECTIVE: The goal of the present study was to perform a cross-cultural adaptation and clinical validation of the Functional Status Scale for use in the Brazilian population. DESIGN: Cross-cultural adaptation study followed by a cross-sectional validation study. SETTING: Single-center PICU at a hospital in Porto Alegre, Brazil. PATIENTS: Children and adolescents of both sexes, 1 month and under 18 years old, who had been treated at the PICU. INTERVENTIONS: The cross-cultural adaptation consisted of the following stages: translation, synthesis of the translated versions, back translations, synthesis of the back translations, committee review, and pretesting. For the clinical validation stage, the Brazilian Functional Status Scale was applied within 48 hours after discharge from the PICU. The Brazilian Functional Status Scale's reliability and validity properties were tested. MEASUREMENTS AND MAIN RESULTS: A total of 314 patients were evaluated. Median age was 24 months (7.0-105.0 mo), 54.1% were males, and their overall functional score was 9 ± 2.8. The Brazilian Functional Status Scale demonstrated excellent interobserver reliability, with an intraclass correlation coefficient of 0.98, and κ coefficients between 0.716 and 1.000 for the functional domains, which indicated good to excellent agreement. Using the Bland-Altman method, we confirmed low variability among the evaluator's responses (0.93 to -1.06 points). Regarding the Brazilian Functional Status Scale's content validity, there was a correlation between length of PICU stay (r = 0.378; p < 0.001) and time on invasive mechanical ventilation (r = 0.261; p < 0.05), and the test could discriminate between groups with different comorbidity levels (p < 0.001). CONCLUSIONS: The Functional Status Scale has been culturally adapted and validated for use in Brazil and is now available for use in the assessment of functionality in Brazilian children and adolescents.


Assuntos
Criança Hospitalizada , Unidades de Terapia Intensiva Pediátrica/normas , Avaliação de Resultados em Cuidados de Saúde , Atividades Cotidianas , Adolescente , Brasil , Criança , Pré-Escolar , Comparação Transcultural , Estudos Transversais , Feminino , Indicadores Básicos de Saúde , Humanos , Lactente , Tempo de Internação , Masculino
8.
Prep Biochem Biotechnol ; 46(3): 298-304, 2016.
Artigo em Inglês | MEDLINE | ID: mdl-25830777

RESUMO

Peptidases are important because they play a central role in pharmaceutical, food, environmental, and other industrial processes. A serine peptidase from Aspergillus terreus was isolated after two chromatography steps that showed a yield of 15.5%. Its molecular mass was determined to be 43 kD, by sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE). This peptidase was active between pH 5.0 to 8.0 and had maximum activity at pH 7.0, at 45°C. When exposited with 1 M of urea, the enzyme maintained 100% activity and used azocasein as substrate. The N-terminal (first 15 residues) showed 33% identity with the serine peptidase of Aspergillus clavatus ES1. The kinetics assays showed that subsite S2 did not bind polar basic amino acids (His and Arg) nonpolar acidic amino acids (Asp and Glu). The subsite S1 showed higher catalytic efficiency than the S2 and S3 subsites.


Assuntos
Aspergillus/enzimologia , Serina Proteases/isolamento & purificação , Sequência de Aminoácidos , Cromatografia em Gel , Cromatografia por Troca Iônica , Eletroforese em Gel de Poliacrilamida , Fermentação , Concentração de Íons de Hidrogênio , Cinética , Serina Proteases/química , Serina Proteases/metabolismo , Temperatura
9.
Biotechnol Lett ; 37(5): 991-1001, 2015 May.
Artigo em Inglês | MEDLINE | ID: mdl-25650340

RESUMO

Ligation-mediated-PCR was performed followed by the mapping of 177 and 150 integration sites from HepG2 and Hek293 transduced with chimera vector carrying recombinant human Factor IX (rhFIX) cDNA, respectively. The sequences were analyzed for chromosome preference, CpG, transcription start site (TSS), repetitive elements, fragile sites and target genes. In HepG2, rhFIX was had an increased preference for chromosomes 6 and 17; the median distance to the nearest CpG islands was 15,240 base pairs and 37 % of the integrations occurred in RefSeq genes. In Hek293, rhFIX had an increased preference for chromosome 5; the median distance to the nearest CpG islands was 209,100 base pairs and 74 % of the integrations occurred in RefSeq genes. The integrations in both cell lines were distant from the TSS. The integration patterns associated with this vector are different in each cell line.


Assuntos
Fator IX/genética , Fator IX/metabolismo , Vírus da Leucemia Murina de Moloney/fisiologia , Vírus do Sarcoma Murino de Moloney/fisiologia , Integração Viral , Linhagem Celular , Vetores Genéticos , Humanos , Vírus da Leucemia Murina de Moloney/genética , Vírus do Sarcoma Murino de Moloney/genética , Reação em Cadeia da Polimerase , Proteínas Recombinantes/genética , Proteínas Recombinantes/metabolismo , Transdução Genética
10.
Cien Saude Colet ; 29(7): e05962023, 2024 Jul.
Artigo em Português, Inglês | MEDLINE | ID: mdl-38958334

RESUMO

This essay aims to present the concept of dissonant bodies and give visibility to these bodies in the field of public health from anti-colonial and queer perspectives. These bodies are often considered dissidents. Their existence is considered abject, disposable, and marginalized by neoliberal and necropolitical society. It is presented as another possibility in the face of the logic and political strategies of hegemonic reproduction of capital-life and health policies. It debates tensions of new possibilities and alternatives of other modes of existence and inclusive worlds, in which all lives are considered, in their singularities and differences, radically equal in the validation of their ways of living.


O objetivo deste ensaio é apresentar o conceito de corpos diz-sonantes e dar visibilidade a esses corpos no campo da saúde coletiva, a partir de perspectivas anti-coloniais e queers. São corpos muitas vezes considerados dissidentes, cujas existências consideradas abjetas, descartáveis e marginalizadas, pela sociedade neoliberal e necropolítica são apresentadas como outras possibilidades frente às lógicas e estratégias políticas de reprodução hegemônica da vida-capital e nas políticas de saúde. Debate tensionamentos de novas possibilidades e alternativas de modos outros de existências e de mundos inclusivos, em que todas as vidas sejam consideradas, em suas singularidades e diferenças, radicalmente iguais na validação dos seus modos de viver.


Assuntos
Saúde Pública , Humanos , Política de Saúde , Política
11.
JMIR Res Protoc ; 13: e58335, 2024 Sep 19.
Artigo em Inglês | MEDLINE | ID: mdl-39298750

RESUMO

BACKGROUND: Approximately 1 in 6 cannabis users develop a cannabis use disorder (CUD) and the odds increase to 1 in 2 for daily users. OBJECTIVE: The Dual use of Cannabis and Tobacco Monitoreing through a Gamified Web app (DuCATA_GAM-CaT) project aims to identify cannabis-tobacco patterns of use and withdrawal symptoms among individuals with CUD who are attending substance abuse programs. METHODS: The project uses a mixed methods approach consisting of 3 studies. First, a participatory qualitative study involves focus groups comprising individuals with CUD, clinicians, project researchers, and an expert gamification company to co-design a gamified web app. Second, a longitudinal prospective study to follow up individuals over 6 weeks with CUD attending substance abuse programs . Participants report their cannabis-tobacco usage patterns, type and frequency of tobacco use, nicotine dependence, withdrawal symptoms, psychoemotional factors, and motivation to quit both substances. Predictive analysis techniques are used to analyze clinical, demographic, psychological, and environmental data to predict the probability of achieving abstinence. Third, homogeneous focus groups to explore participants' experiences during their CUD treatment. RESULTS: By June 2024, the project had completed the first study, defining eligible cannabis user profiles, developed the initial web app prototype, and initiated recruitment across 10 centers, with 74 participants enrolled, aiming to reach 150 participants in total. CONCLUSIONS: All participants are required to provide informed consent, and their information is kept confidential and anonymized following confidentiality rules. The research team is committed to disseminating the results obtained to professional and patient groups, as well as informing public health agents, to positively influence political and social decision makers and design programmers. Additionally, we aim to prioritize the publication of the results in high-impact journals specialized in drug abuse, public health, and health care services research. TRIAL REGISTRATION: ClinicalTrials.gov NCT05512091; https://clinicaltrials.gov/study/NCT05512091. INTERNATIONAL REGISTERED REPORT IDENTIFIER (IRRID): DERR1-10.2196/58335.


Assuntos
Síndrome de Abstinência a Substâncias , Adulto , Feminino , Humanos , Masculino , Grupos Focais , Estudos Longitudinais , Abuso de Maconha/epidemiologia , Abuso de Maconha/psicologia , Aplicativos Móveis , Estudos Prospectivos , Pesquisa Qualitativa , Síndrome de Abstinência a Substâncias/psicologia , Estudos Observacionais como Assunto , Projetos de Pesquisa
12.
J Psychiatr Ment Health Nurs ; 31(5): 755-766, 2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-38288784

RESUMO

WHAT IS KNOWN ON THE SUBJECT?: Quitlines are known to be effective in helping people quit smoking, including those with mental health conditions. It is particularly important to address smoking in this population as the prevalence of smoking ranges from 40% to 75%. However, professionals working in quitlines often face barriers due to their limited training and resources to effectively support these smokers quit, especially if they are not mental health professionals. Therefore, training programmes should be developed to enhance their knowledge and skills in providing smoking cessation support to this vulnerable population. WHAT THE PAPER ADDS TO EXISTING KNOWLEDGE?: The '061 QUIT-MENTAL study' evaluated the efficacy of a proactive telephone-based intervention for smoking cessation among smokers with severe mental health disorders. Conducted through a quitline service in Catalonia, Spain, the study focused on training non-mental health specialized nurses and other health professionals to provide evidence-based interventions for promoting smoking cessation among individuals with mental health disorders. The objective of this study is to assess the changes in nurses' knowledge and readiness to treat smokers with mental health conditions, while also capturing their insights and perceptions regarding the facilitators and barriers to providing smoking cessation interventions. The training and insights of the nurses were integral to conducting this research and providing valuable information for the future sustainability of such interventions. This is particularly important as quitlines hold the potential to offer cessation support to these patients at the community level. WHAT ARE THE IMPLICATIONS FOR PRACTICE?: While the training programme was successful in improving non-mental health specialized nurses' knowledge and motivation skills to help patients with mental health disorders quit smoking, they encountered obstacles in delivering this intervention over the phone. These difficulties were mainly due to challenges in reaching participants and delivering the intervention as detailed in the protocol. The study highlights the need of reducing barriers for providers in attending to these patients, particularly if they are non-mental health specialized professionals. By minimizing the stigmatization associated with caring for mentally ill individuals and promoting coordination with specialists, innovative approaches may be introduced to alleviate the burden of tobacco-related diseases among this population. ABSTRACT: Introduction The viewpoint of those who implement a programme for the first time is crucial for understanding its impact and ensuring its long-term viability. The 061 QUIT-MENTAL study was a pragmatic randomized controlled trial evaluating a proactive telephone-based intervention addressed to mental health patients conducted by non-psychiatric specialized nurses. Aim We assessed nurses' knowledge of smoking cessation interventions addressed to this population before and after receiving training and their insights after delivering the intervention. Method Mixed methods study: (1) Pre-post evaluation to assess self-reported knowledge, self-efficacy and opinions about smoking cessation. (2) In-depth interviews with key nurses to ascertain their perceptions regarding the impact of the training received in delivering the study intervention. Results The training enhanced nurses' knowledge of psychological and pharmacological resources to aid these patients, as well as their ability to increase their motivation to quit. However, nurses reported difficulties in delivering population-based interventions to individuals with mental health disorders. These challenges primarily arose from participants being hard to reach, exhibiting low motivation to quit, struggling to comprehend instructions or follow recommendations, and nurses feeling unsure about their capacity to assist individuals with mental illnesses in quitting, despite the training they received. Discussion Despite the training and protocol designed to facilitate the delivery of the intervention, nurses faced difficulties in providing population-based interventions to individuals with mental health disorders. Implications for Practice Future quitline programmes aimed at the population with mental health disorders should strive to reduce barriers for providers in attending to these patients, particularly if they are non-mental health specialized professionals. By minimizing the stigmatization associated with caring for mentally ill individuals and promoting coordination with specialists, innovative approaches may be introduced to alleviate the burden of tobacco-related diseases among this population.


Assuntos
Transtornos Mentais , Abandono do Hábito de Fumar , Humanos , Abandono do Hábito de Fumar/métodos , Adulto , Transtornos Mentais/enfermagem , Transtornos Mentais/terapia , Feminino , Masculino , Pessoa de Meia-Idade , Linhas Diretas , Atitude do Pessoal de Saúde , Pesquisa Qualitativa
13.
Biotechnol Lett ; 34(8): 1435-43, 2012 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-22488441

RESUMO

Hemophilia A is caused by a deficiency in coagulation factor VIII. Recombinant factor VIII can be used as an alternative although it is unavailable for most patients. Here, we describe the production of a human recombinant B-domain-deleted FVIII (rBDDFVIII) by the human cell line SK-HEP-1, modified by a lentiviral vector rBDDFVIII was produced by recombinant SK-HEP cells (rSK-HEP) at 1.5-2.1 IU/10(6) in 24 h. The recombinant factor had increased in vitro stability when compared to commercial pdFVIII. The functionality of rBDDFVIII was shown by its biological activity and by tail-clip challenge in hemophilia A mice. The rSK-HEP cells grew in a scalable system and produced active rBDDFVIII, indicating that this platform production can be optimized to meet the commercial production scale needs.


Assuntos
Fator VIII/biossíntese , Lentivirus/genética , Fragmentos de Peptídeos/biossíntese , Proteínas Recombinantes/biossíntese , Animais , Western Blotting , Técnicas de Cultura de Células , Linhagem Celular , Modelos Animais de Doenças , Fator VIII/química , Fator VIII/genética , Fator VIII/farmacologia , Citometria de Fluxo , Vetores Genéticos/genética , Hemofilia A/tratamento farmacológico , Humanos , Camundongos , Fragmentos de Peptídeos/química , Fragmentos de Peptídeos/genética , Fragmentos de Peptídeos/farmacologia , Proteínas Recombinantes/química , Proteínas Recombinantes/genética , Proteínas Recombinantes/farmacologia , Análise de Sobrevida
14.
J Inorg Biochem ; 232: 111811, 2022 07.
Artigo em Inglês | MEDLINE | ID: mdl-35367819

RESUMO

An impressive class of formally substitution-inert polynuclear platinum complexes known as Substitution-inert Polynuclear Platinum (II) Complexes (SI-PPCs) present an attractive approach for medicinal inorganic chemistry through high-affinity non-covalent interactions with biomolecules, such as DNA and Glycosaminoglycans (GAGs). This interaction occurs through the formation of non-covalent cyclic structures called clamps and forks with the phosphate and sulfate groups present in these biomolecules. This work shows several analyses of the non-covalent interactions formed between heparin (PDB code: 1HPN) and SI-PPCs obtained through molecular dynamics (MD) simulations. Root Mean Square Deviation (RMSD) results showed that the "non-covalent" di-nuclear platinum compound, DiplatinNC ([{trans-Pt(NH3)2(NH2(CH2)6NH3+)}2-µ-NH2(CH2)6NH2]6+) and AH44 ([{Pt(NH3)3}2{(µ-(H2N(CH2)6NH2)2-(trans-Pt(NH3)2}]6+, 0,0,0/t,t,t,) complexes, which are both 6+ charged complexes, were the most rigid. On the other hand, the Root Mean Square Fluctuation (RMSF) showed that there is a reduction in the atomic fluctuation of atoms in the central region of the heparin molecule; the solvent accessible surface area (SASA) analysis also indicates a reduction in the accessible area by the heparin when interacting with SI-PPCs. The evaluation of H-Bond data confirms the formation of the non-covalent interactions, which may suggest a decrease in the action of 1HPN by preventing the action of enzymes on this substrate. In addition, thermodynamic results indicate that this interaction is spontaneous, considering the negative variations in the Gibbs free energy presented by the studied systems.


Assuntos
Antineoplásicos , Platina , Antineoplásicos/química , Glicosaminoglicanos , Heparina , Simulação de Dinâmica Molecular , Compostos Organoplatínicos/química , Platina/química
15.
Rev Bras Ter Intensiva ; 32(2): 261-267, 2020 Jun.
Artigo em Inglês, Português | MEDLINE | ID: mdl-32667453

RESUMO

OBJECTIVE: To evaluate the functional status of pediatric patients undergoing congenital heart surgery after discharge from the intensive care unit, and to evaluate the correlations among clinical variables, functional status and surgical risk. METHODS: Cross-sectional study including patients aged 1 month to less than 18 years undergoing congenital heart surgery between October 2017 and May 2018. Functional outcome was assessed by the Functional Status Scale, surgical risk classification was determined using the Risk Adjustment for Congenital Heart Surgery-1 (RACHS-1), and clinical variables were collected from electronic medical records. RESULTS: The sample comprised 57 patients with a median age of 7 months (2 - 17); 54.4% were male, and 75.5% showed dysfunction, which was moderate in 45.6% of the cases. RACHS-1 category > 3 was observed in 47% of the sample, indicating higher surgical risk. There was a correlation between functional deficit and younger age, longer duration of invasive mechanical ventilation and longer intensive care unit stay. Moreover, greater functional deficit was observed among patients classified as RACHS-1 category > 3. CONCLUSION: The prevalence of functional deficit was high among children and adolescents with congenital heart disease after cardiac surgery. Higher surgical risk, longer duration of invasive mechanical ventilation, longer intensive care unit stay and younger age were correlated with worse functional status.


Assuntos
Procedimentos Cirúrgicos Cardíacos/métodos , Cardiopatias Congênitas/cirurgia , Unidades de Terapia Intensiva , Respiração Artificial/estatística & dados numéricos , Adolescente , Fatores Etários , Criança , Pré-Escolar , Estudos Transversais , Feminino , Estado Funcional , Humanos , Lactente , Tempo de Internação , Masculino , Alta do Paciente , Fatores de Risco , Fatores de Tempo
16.
Front Chem ; 7: 307, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-31231629

RESUMO

The class of polynuclear platinum(II) compounds have demonstrated a great interest because their high activity against cancer cells. Among these new compounds, the TriplatinNC also called AH78, demonstrated surprising antitumor activity, in some cases equivalent to cisplatin. It is well-known that complex charge +8 favors interaction with DNA and other biomolecules non-covalently, through the hydrogen bonds with phosphate and sulfate groups present in these structures. The hydrogen atoms of the amine interact with the oxygen atoms of the phosphate and sulfate groups present in the DNA strand and heparan sulfate, respectively. These interactions can cause significant twists in double helix and inhibit the activity of these biomolecules. The present investigation is an attempt to provide a benchmark theoretical study about TriplatinNC. We have described the non-covalent interactions through small reliable mimetic models. The non-covalent interactions were also evaluated on larger models containing DNA fractions with six nitrogenous base pairs (CGCGAA) and fractions of the disaccharide that makes the HS evaluated by the hybrid QM/MM ONIOM methodology.

17.
Appl Biochem Biotechnol ; 187(4): 1158-1172, 2019 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-30178205

RESUMO

The fungal genus Pyrenochaetopsis has received particular attention because of its different lifestyles, such as numerous plant pathogenic, saprophytic, and endophytic species. Its ability to infect plant cells relies heavily upon secreted peptidases. Here, we investigated the biochemical properties and catalytic specificity of a new serine peptidase secreted by the filamentous fungus Pyrenochaetopsis sp. We found that while this neutral serine peptidase displayed optimal activity at a pH of 7.0 and temperature of 45 °C, it tolerated a wide range of pH conditions and temperatures lower than 45 °C. Its peptidase activity was depressed by some metallic ions (such as aluminum, cobalt, and copper (II) chloride) and enhanced by others (such as sodium, lithium, magnesium, potassium, calcium, and manganese). Lastly, the enzyme showed the greatest specificity for non-polar amino acids, particularly leucine and isoleucine, and moderate specificity for basic and neutral polar amino acids. It displayed the least specificity for acidic residues.


Assuntos
Ascomicetos/enzimologia , Biocatálise , Serina Proteases/química , Serina Proteases/metabolismo , Inibidores Enzimáticos/farmacologia , Guanidina/farmacologia , Metais/farmacologia , Inibidores de Serina Proteinase/farmacologia , Especificidade por Substrato , Tensoativos/farmacologia , Temperatura , Ureia/farmacologia
18.
Ciênc. Saúde Colet. (Impr.) ; 29(7): e05962023, 2024.
Artigo em Português | LILACS-Express | LILACS | ID: biblio-1564298

RESUMO

Resumo O objetivo deste ensaio é apresentar o conceito de corpos diz-sonantes e dar visibilidade a esses corpos no campo da saúde coletiva, a partir de perspectivas anti-coloniais e queers. São corpos muitas vezes considerados dissidentes, cujas existências consideradas abjetas, descartáveis e marginalizadas, pela sociedade neoliberal e necropolítica são apresentadas como outras possibilidades frente às lógicas e estratégias políticas de reprodução hegemônica da vida-capital e nas políticas de saúde. Debate tensionamentos de novas possibilidades e alternativas de modos outros de existências e de mundos inclusivos, em que todas as vidas sejam consideradas, em suas singularidades e diferenças, radicalmente iguais na validação dos seus modos de viver.


Abstract This essay aims to present the concept of dissonant bodies and give visibility to these bodies in the field of public health from anti-colonial and queer perspectives. These bodies are often considered dissidents. Their existence is considered abject, disposable, and marginalized by neoliberal and necropolitical society. It is presented as another possibility in the face of the logic and political strategies of hegemonic reproduction of capital-life and health policies. It debates tensions of new possibilities and alternatives of other modes of existence and inclusive worlds, in which all lives are considered, in their singularities and differences, radically equal in the validation of their ways of living.

19.
J Colloid Interface Sci ; 533: 678-691, 2019 Jan 01.
Artigo em Inglês | MEDLINE | ID: mdl-30196112

RESUMO

Sugarcane bagasse cellulose mixed ester succinate phthalate (SBSPh) was synthesized by a novel one-pot reaction method. The effects of temperature, time and mole fraction of succinic anhydride (χSA) on the responses weight gain (wg), number of carboxylic acid groups (nT,COOH), and adsorption capacity (q) of Co2+ and Ni2+ were evaluated by a 23 experimental design. The chemical structure of the material was elucidated by Fourier transform infrared, 13C Multiple Cross-Polarization solid-state NMR spectroscopy and 1H NMR relaxometry. The best SBSPh synthesis condition (100 °C, 11 h, χSA of 0.2) yielded a wg of 59.1%, nT,COOH of 3.41 mmol g-1, and values of qCo2+ and qNi2+ of 0.348 and 0.346 mmol g-1, respectively. The Sips model fitted better the equilibrium data, and the maximum adsorption capacities (pH 5.75 and 25 °C) estimated by this model were 0.62 and 0.53 mmol g-1 for Co2+ and Ni2+, respectively. The ΔadsH° values estimated by isothermal titration calorimetry were 8.43 and 7.79 kJ mol-1 for Co2+ and Ni2+, respectively. Desorption and re-adsorption efficiencies were evaluated by a 22 experimental design, which showed that SBSPh adsorbent can be recovered and reused without significant loss of adsorption capacity.


Assuntos
Celulose/química , Cobalto/isolamento & purificação , Ésteres/química , Níquel/isolamento & purificação , Saccharum/química , Cobalto/química , Estrutura Molecular , Níquel/química , Tamanho da Partícula , Ácidos Ftálicos/química , Soluções , Succinatos/química , Propriedades de Superfície , Água/química
20.
Front Oncol ; 8: 20, 2018.
Artigo em Inglês | MEDLINE | ID: mdl-29535970

RESUMO

In this study, we present a biofeedback method for the strengthening of perineal muscles during the preoperative procedures for radical prostatectomy, and we evaluate this technique as a prevention measure against complications such as urinary incontinence (UI) and erectile dysfunction (ED), which affect prostatectomy patients after surgery. In the experimental protocol, the patients performed specific exercises with the help of a device that provided the patient with visual biofeedback, based on a plot of the anal pressure. For the experimental protocol, we selected 20 male patients, with an average age of 64.0 years, and submitted them to ten therapeutic sessions each. A control group consisting of 32 men with an average age of 66.3 years, who were treated with the same surgical procedure but not with the preoperative procedures, also took part in the experiment. To evaluate UI and ED after the surgery in both control and experimental groups, we used two validated questionnaires-to assess UI, we used the King's Health Questionnaire (KHQ) and, for ED, we used the International Index of Erectile Function (IIEF-5) Questionnaire. We compared the variables associated with UI and ED after the surgery for the control and experimental groups. The occurrence of UI after radical prostatectomy in the control group (100% of the patients) was higher than that for the experimental group (5% of the patients), with p < 0.0001. Likewise, the occurrence of erectile dysfunction after prostatectomy in the control group (48.6% of the patients) was higher than that for the experimental group (5% of the patients), with p < 0.0001. The number of nocturia events also decreased as a consequence of the intervention (p < 0.0001), as did the number of disposable underwear units for urinary incontinence (p < 0.0001). Furthermore, we compared, only for the experimental group, the anal pressure before the biofeedback intervention and after the surgery, and we verified that the anal pressure after surgery was significantly higher (p < 0.0001). The results strongly suggest that the preoperative biofeedback procedure was effective in decreasing urinary incontinence and erectile dysfunction after radical prostatectomy. As future work, we intend to extend this analysis for larger samples and considering a broader age range.

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