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1.
Support Care Cancer ; 32(10): 654, 2024 Sep 11.
Artigo em Inglês | MEDLINE | ID: mdl-39259391

RESUMO

AIMS: This qualitative study explores the experiences of women after cancer treatment in terms of habit changes and mental health impact. METHOD: The study involved 10 women who had undergone cancer treatment, recruited from three major hospitals in Hanoi, Vietnam. Data were collected through semi-structured interviews, which were transcribed and analyzed using thematic analysis. RESULTS: The findings of the study shed light on the various factors influencing lifestyle behavior and mental health changes among women after cancer treatment. Ten participants, aged 39 to 64 years, shared experiences including dietary changes, sleep disruptions, and reliance on non-scientific sources for health decisions. Initially shocked by their diagnosis, many transitioned to acceptance, adopting a "giving-in" attitude. Cultural beliefs, word-of-mouth sharing, and social support networks played significant roles in shaping post-treatment lifestyle changes, coping mechanisms, information-seeking behaviors, and mental health. CONCLUSION: The study highlights the need for accessible and scientifically verified information for women after cancer treatment to make informed decisions about their health. It emphasizes the importance of addressing traditional beliefs and promoting evidence-based practices. Moreover, the study underscores the importance of social support and relationships in coping with the challenges of post-cancer experiences.


Assuntos
Adaptação Psicológica , Estilo de Vida , Saúde Mental , Neoplasias , Pesquisa Qualitativa , Apoio Social , Humanos , Feminino , Adulto , Pessoa de Meia-Idade , Vietnã , Neoplasias/psicologia , Neoplasias/terapia , Hábitos , Entrevistas como Assunto , População do Sudeste Asiático
2.
BMC Genomics ; 24(1): 793, 2023 Dec 20.
Artigo em Inglês | MEDLINE | ID: mdl-38124030

RESUMO

BACKGROUND: Heat shock proteins (HSPs) function as molecular chaperones with critical roles in chicken embryogenesis, immune response to infectious diseases, and response to various environmental stresses. However, little is known on HSP genes in chicken. In this study, to understand the roles of chicken HSPs, we performed genome-wide identification, expression, and functional analyses of the HSP family genes in chicken. RESULTS: A total of 76 HSP genes were identified in the chicken genome, which were further classified into eight distinct groups (I-VIII) based on phylogenetic tree analysis. The gene-structure analysis revealed that the members of each clade had the same or similar exon-intron structures. Chromosome mapping suggested that HSP genes were widely dispersed across the chicken genome, except in chromosomes 16, 18, 22, 25, 26, and 28-32, which lacked chicken HSP genes. On the other hand, the interactions among chicken HSPs were limited, indicating that the remaining functions of HSPs could be investigated in chicken. Moreover, KEGG pathway analysis showed that the HSP gene family was involved in the regulation of heat stress, apoptotic, intracellular signaling, and immune response pathways. Finally, RNA sequencing data revealed that, of the 76 chicken HSP genes, 46 were differentially expressed at 21 different growth stages in chicken embryos, and 72 were differentially expressed on post-infection day 3 in two indigenous Ri chicken lines infected with highly pathogenic avian influenza. CONCLUSIONS: This study provides significant insights into the potential functions of HSPs in chicken, including the regulation of apoptosis, heat stress, chaperone activity, intracellular signaling, and immune response to infectious diseases.


Assuntos
Doenças Transmissíveis , Influenza Aviária , Embrião de Galinha , Animais , Proteínas de Choque Térmico/genética , Proteínas de Choque Térmico/metabolismo , Galinhas/genética , Galinhas/metabolismo , Filogenia , Influenza Aviária/genética , Genômica
3.
BMC Womens Health ; 23(1): 391, 2023 07 26.
Artigo em Inglês | MEDLINE | ID: mdl-37496038

RESUMO

BACKGROUND: Postpartum depression (PPD) is a major health issue that can affect both mothers and their newborn children. In Vietnam, approximately 20% of mothers suffer from PPD. However, there is a lack of synthesized evidence regarding the case management of PPD in the Vietnamese context. A review of early symptoms, consequences, and management strategies of PPD will help to inform best practices to reduce complications and shorten the recovery time after parturition. METHODS: This scoping review aims to analyze and synthesize the findings of studies on PPD examining the symptoms, consequences, and management strategies among Vietnamese women. MEDLINE, CINAHL, PubMed, ScienceDirect, EBSCOHost, Google Scholar, and a networked digital library of projects, theses, and dissertations published between 2010 and 2022 in Vietnam were accessed following search terms including "Vietnam", "depression", "postpartum", "symptom/experience", "consequence", and "management". FINDINGS: The most-reported symptoms were sadness, tiredness, the feeling of being ignored, lack of interest in the baby, reduced appetite, and sleep disturbance. The recognized consequences were child stunting and slow growth, without mentioning its long-term effects on mothers. Our findings indicated that PPD in Vietnam has not been sufficiently managed; mothers tend to seek help from 'fortune-tellers' or 'word-of-mouth' practices rather than from evidence-based modern medicine. CONCLUSION: This scoping review provides an initial stage of PPD symptoms, consequences, and management along with facilitating an interventional program to support this vulnerable group of women. A large survey of Vietnamese mothers' symptoms, effects, and management strategies is needed.


Assuntos
Depressão Pós-Parto , Gravidez , Lactente , Recém-Nascido , Humanos , Feminino , Depressão Pós-Parto/diagnóstico , Depressão Pós-Parto/terapia , Período Pós-Parto , Mães , Parto , Vietnã
4.
BMC Gastroenterol ; 22(1): 480, 2022 Nov 22.
Artigo em Inglês | MEDLINE | ID: mdl-36418962

RESUMO

BACKGROUND: Invasive gastrointestinal surgery may be performed as an open or endoscopic procedure, such as laparoscopic semi-colon surgery, laparoscopic appendectomy, laparoscopic gastrectomy, and anal surgery, among other such operations. Regardless of the approach, the operative procedure interferes with the patient's gastrointestinal tract, necessitating the rational use of prophylactic antibiotics to improve treatment outcomes and minimize postoperative infections. OBJECTIVE: To investigate the prophylactic and postoperative antibiotic usage in patients who underwent invasive gastrointestinal surgery, and to identify factors associated with postoperative infection. DESIGN: This descriptive, cross-sectional study included 112 patients who underwent invasive gastrointestinal surgery at the Department of Gastroenterology, Thong Nhat Hospital. We conducted a cross-sectional study in all inpatients aged 18 years and older, who underwent invasive gastrointestinal surgery between January 2020 and December 2020. We recorded patient characteristics, the administration and appropriateness of antibiotics, as well as treatment outcomes. The appropriateness of prophylactic and postoperative antibiotic usage was assessed based on 2015 Vietnamese national guideline for antibiotic use. Multivariable logistic regression analysis was used to determine the factors associated with postoperative infection. RESULTS: Patients' mean age was 59.7 ± 17.2 years. Most surgeries (89.3%) were clean-contaminated procedures. The rates of appropriate types of antibiotics selected, doses, and overall rates of appropriateness of antibiotic prophylaxis were 68.0%, 76.4% and 54.7%, respectively. Of the patients investigated, 34.8% had at least one sign of postoperative infection; the overall appropriate rate of postoperative antibiotic was 38.5%. Old age was associated with postoperative infection and longer length of hospitalization. CONCLUSION: Implementation of the guidelines recommended for the prophylactic and therapeutic use of antibiotics is essential to improve treatment outcomes.


Assuntos
Antibacterianos , Hospitais , Humanos , Adulto , Pessoa de Meia-Idade , Idoso , Antibacterianos/uso terapêutico , Estudos Transversais , Complicações Pós-Operatórias , Gastrectomia/efeitos adversos , Povo Asiático
5.
AAPS PharmSciTech ; 23(3): 78, 2022 Feb 22.
Artigo em Inglês | MEDLINE | ID: mdl-35194702

RESUMO

The patient-centric strategy urges the pharmaceutical companies to develop orodispersible films (ODF) as a new approach for pediatrics. However, the most common ODF-fabricated method, solvent casting, is facing the safety challenges of safety during manufacturing. To obtain favorable formulations with the ease of use and rapid dissolution, nanotechnology has been accounted for the development process. In this work, we investigated the wet-milling technique in preparing nanocarriers for loratadine-a hydrophobic anti-histamine drug. The results showed that the wet-milling technique could produce nanocarriers at the size of 400 nm. The reduction of particle size induced the increase of solubility and the dissolution rate of loratadine. Moreover, the pre-formulation of nanosized materials could adapt to the preparation of orodispersible films that disintegrated (less than 60s) and dissolved quickly. The DSC results showed that after the milling process, the crystallinity of loratadine was unchanged; however, the reduction in size induced an enhancement of drug bioavailability. After orally administrated to rats, the drug was quickly reached to the blood circulation, just after 30 min. Cmax increased from 44.97 ng/mL for the raw drug to 101.02 ng/mL for the nanocrystal leading to an enhancement of the AUC0-24h by 5.69-fold when the nanocrystal ODF was administrated. The ease of formulation and the improvement of drug solubility as well as bioavailability potentiated orodispersible films as a promising drug delivery for loratadine. Graphical abstract.


Assuntos
Loratadina , Administração Oral , Animais , Disponibilidade Biológica , Criança , Humanos , Loratadina/química , Tamanho da Partícula , Ratos , Solubilidade
6.
Int J Mol Sci ; 22(19)2021 Sep 30.
Artigo em Inglês | MEDLINE | ID: mdl-34638941

RESUMO

Nonalcoholic fatty liver disease (NAFLD) is one of the most common liver diseases worldwide. An accumulation of fat, followed by inflammation, is the major cause of NAFLD progression. During inflammation, macrophages are the most abundant immune cells recruited to the site of injury. Macrophages are classified into "proinflammatory" M1 macrophages, and "anti-inflammatory" M2 macrophages. In NAFLD, M1 macrophages are the most prominent macrophages that lead to an excessive inflammatory response. Previously, we found that baicalin could polarize macrophages into anti-inflammatory M2c subtype macrophages with an increased level of MERTK expression. Several studies have also shown a strong correlation between MERTK expression and cholesterol efflux, efferocytosis, as well as phagocytosis capability. Therefore, in this study, we aim to elucidate the potential and efficacy of mononuclear-cell (MNC)-derived MERTK+/hi M2c macrophages induced by baicalin as a cell-based therapy for NAFLD treatment. In our results, we have demonstrated that a MERTK+/hi M2c macrophage injection to NAFLD mice contributes to an increased level of serum HDL secretion in the liver, a decline in the circulating CD4+CD25- and CD8+CD25- T cells and lowers the total NAFLD pathological score by lessening the inflammation, necrosis, and fibrosis. In the liver, profibrotic COL1A1 and FN, proinflammation TNFα, as well as the regulator of lipid metabolism PPARÉ£ expression, were also downregulated after injection. In parallel, the transcriptomic profiles of the injected MERTK+/hi M2c macrophages showed that the various genes directly or indirectly involved in NAFLD progression (e.g., SERPINE1, FADS2) were also suppressed. Downregulation of cytokines and inflammation-associated genes, such as CCR5, may promote a pro-resolving milieu in the NAFLD liver. Altogether, cell-based therapy using MERTK+/hi M2c macrophages is promising, as it ameliorates NAFLD in mice.


Assuntos
Transferência Adotiva/métodos , Transplante de Células/métodos , Flavonoides/farmacologia , Macrófagos/efeitos dos fármacos , Macrófagos/transplante , Hepatopatia Gordurosa não Alcoólica/terapia , Transdução de Sinais/efeitos dos fármacos , c-Mer Tirosina Quinase/metabolismo , Animais , Colágeno Tipo I/metabolismo , Cadeia alfa 1 do Colágeno Tipo I , Dieta Hiperlipídica/efeitos adversos , Modelos Animais de Doenças , Feminino , Lipoproteínas HDL/sangue , Ativação de Macrófagos/efeitos dos fármacos , Macrófagos/imunologia , Camundongos , Camundongos Endogâmicos C57BL , Hepatopatia Gordurosa não Alcoólica/sangue , Hepatopatia Gordurosa não Alcoólica/genética , PPAR gama/metabolismo , Transdução de Sinais/imunologia , Linfócitos T/imunologia , Transcriptoma , Resultado do Tratamento , Fator de Necrose Tumoral alfa/metabolismo
7.
Inj Prev ; 26(2): 109-115, 2020 04.
Artigo em Inglês | MEDLINE | ID: mdl-30837327

RESUMO

INTRODUCTION: This study aimed to evaluate the impact of the helmet law on the changes in potential years of life lost (PYLL) due to traffic mortality and to examine modification effects of socioeconomic factors on the impacts in Vietnam. METHODS: We applied an interrupted time series design using the Bayesian framework to estimate the impact of the law at the provincial level. Then, we used random effects meta-analysis to estimate the impact of the law at the country level and to examine the modification effects of socioeconomic factors. RESULTS: The results indicate that the impacts varied among the provinces. These impacts could be classified by four main groups comprising positive impact, and positive impact without sustainability, possible positive impact, negative or inconsistent impact. For the country-level impact, the results reveal a significantly consistent change in monthly PYLLs at the level of 18 per 100 000 persons, and the post-trend was stable without significant change. The results of meta-regression show that 1 unit increase in the population density (persons/km2), migration rate (%) and income (×1000 dong) are non-significantly associated with increases of PYLLs at 1.3, 27 and 27 per 100 000 person-months, respectively, whereas 1% increase in literacy associated with a decrease of PYLL at 44 per 100 000 person-months. DISCUSSION: Further studies should be warranted to provide a comprehensive evaluation of the law implementation, including its acceptability, adoption, appropriateness, feasibility, cost-effectiveness and sustainability.


Assuntos
Acidentes de Trânsito/prevenção & controle , Dispositivos de Proteção da Cabeça/tendências , Anos de Vida Ajustados por Qualidade de Vida , Ferimentos e Lesões/prevenção & controle , Acidentes de Trânsito/legislação & jurisprudência , Acidentes de Trânsito/estatística & dados numéricos , Traumatismos Craniocerebrais/prevenção & controle , Dispositivos de Proteção da Cabeça/estatística & dados numéricos , Humanos , Análise de Séries Temporais Interrompida , Motocicletas/legislação & jurisprudência , Motocicletas/estatística & dados numéricos , Fatores Socioeconômicos , Vietnã/epidemiologia , Ferimentos e Lesões/epidemiologia
8.
Asian-Australas J Anim Sci ; 33(10): 1683-1690, 2020 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-32054190

RESUMO

OBJECTIVE: The rapid and reliable detection of the African swine fever virus (ASFV) plays an important role in emergency control and preventive measures of ASF. Some methods have been recommended by FAO/OIE to detect ASFV in clinical samples, including realtime polymerase chain reaction (PCR). However, mismatches in primer and probe binding regions may cause a false-negative result. Here, a slight modification in probe sequence has been conducted to improve the qualification of real-time PCR based on World Organization for Animal Health (OIE) protocol for accurate detection of ASFV in field samples in Vietnam. METHODS: Seven positive confirmed samples (four samples have no mismatch, and three samples contained one mutation in probe binding sites) were used to establish novel real-time PCR with slightly modified probe (Y = C or T) in comparison with original probe recommended by OIE. RESULTS: Both real-time PCRs using the OIE-recommended probe and novel modified probe can detect ASFV in clinical samples without mismatch in probe binding site. A high correlation of cycle quantification (Cq) values was observed in which Cq values obtained from both probes arranged from 22 to 25, suggesting that modified probe sequence does not impede the qualification of real-time PCR to detect ASFV in clinical samples. However, the samples with one mutation in probe binding sites were ASFV negative with OIE recommended probe but positive with our modified probe (Cq value ranked between 33.12-35.78). CONCLUSION: We demonstrated for the first time that a mismatch in probe binding regions caused a false negative result by OIE recommended real-time PCR, and a slightly modified probe is required to enhance the sensitivity and obtain an ASF accurate diagnosis in field samples in Vietnam.

9.
Appl Environ Microbiol ; 86(1)2019 12 13.
Artigo em Inglês | MEDLINE | ID: mdl-31604775

RESUMO

Vegetative cells of Bacillus subtilis can recover from injury after high-hydrostatic-pressure (HHP) treatment at 250 MPa. DNA microarray analysis revealed that substantial numbers of ribosomal genes and translation-related genes (e.g., translation initiation factors) were upregulated during the growth arrest phase after HHP treatment. The transcript levels of cold shock-responsive genes, whose products play key roles in efficient translation, and heat shock-responsive genes, whose products mediate correct protein folding or degrade misfolded proteins, were also upregulated. In contrast, the transcript level of hpf, whose product (Hpf) is involved in ribosome inactivation through the dimerization of 70S ribosomes, was downregulated during the growth arrest phase. Sucrose density gradient sedimentation analysis revealed that ribosomes were dissociated in a pressure-dependent manner and then reconstructed. We also found that cell growth after HHP-induced injury was apparently inhibited by the addition of Mn2+ or Zn2+ to the recovery medium. Ribosome reconstruction in the HHP-injured cells was also significantly delayed in the presence of Mn2+ or Zn2+ Moreover, Zn2+, but not Mn2+, promoted dimer formation of 70S ribosomes in the HHP-injured cells. Disruption of the hpf gene suppressed the Zn2+-dependent accumulation of ribosome dimers, partially relieving the inhibitory effect of Zn2+ on the growth recovery of HHP-treated cells. In contrast, it was likely that Mn2+ prevented ribosome reconstruction without stimulating ribosome dimerization. Our results suggested that both Mn2+ and Zn2+ can prevent ribosome reconstruction, thereby delaying the growth recovery of HHP-injured B. subtilis cells.IMPORTANCE HHP treatment is used as a nonthermal processing technology in the food industry to inactivate bacteria while retaining high quality of foods under suppressed chemical reactions. However, some populations of bacterial cells may survive the inactivation. Although the survivors are in a transient nongrowing state due to HHP-induced injury, they can recover from the injury and then start growing, depending on the postprocessing conditions. The recovery process in terms of cellular components after the injury remains unclear. Transcriptome analysis using vegetative cells of Bacillus subtilis revealed that the translational machinery can preferentially be reconstructed after HHP treatment. We found that both Mn2+ and Zn2+ prolonged the growth-arrested stage of HHP-injured cells by delaying ribosome reconstruction. It is likely that ribosome reconstruction is crucial for the recovery of growth ability in HHP-injured cells. This study provides further understanding of the recovery process in HHP-injured B. subtilis cells.


Assuntos
Bacillus subtilis , Pressão Hidrostática/efeitos adversos , Viabilidade Microbiana , Ribossomos , Bacillus subtilis/efeitos dos fármacos , Bacillus subtilis/crescimento & desenvolvimento , Bacillus subtilis/metabolismo , Manganês/farmacologia , Compostos de Manganês/farmacologia , Ribossomos/efeitos dos fármacos , Ribossomos/genética , Ribossomos/metabolismo , Sais/farmacologia , Transcriptoma , Compostos de Zinco/farmacologia
10.
J Phys Chem A ; 121(5): 1032-1040, 2017 Feb 09.
Artigo em Inglês | MEDLINE | ID: mdl-28084737

RESUMO

High-accuracy calculations were performed to study the mechanisms of the reactions between the diatomic silicon monoxide (SiO) with NH3 and CH4. These reactions are relevant to the SiO-related astrochemistry and atmospheric chemistry as well as the activation of the N-H and C-H bonds by the SiO triple bond. Energetic data used in the construction of potential energy surfaces describing the SiO + NH3/CH4 reactions were obtained at the coupled-cluster theory with extrapolation to the complete basis set limit (CCSD(T)/CBS) using DFT/B3LYP/aug-cc-pVTZ optimized geometries. Standard heats of formation of a series of small Si-molecules were predicted. Insertion of SiO into the N-H bond is exothermic with a small energy barrier of ∼8 kcal/mol with respect to the SiO + NH3 reactants, whereas the C-H bond activation by SiO involves a higher energy barrier of 45 kcal/mol. Eight product channels are opened in the SiO + NH3 reaction including dehydrations giving HNSi/HSiN and dehydrogenations. These reactions are endothermic by 16-119 kcal/mol (calculated at 298.15 K) with the CCSD(T)/CBS energy barriers of 21-128 kcal/mol. The most stable set of products, HNSi + H2O, was also the product of the reaction pathway having lowest energy barrier of 21 kcal/mol. Ten product channels of the SiO + CH4 reaction including decarbonylation, dehydration, dehydrogenation, and formation of Si + CH3OH are endothermic by 19-118 kcal/mol with the energy barriers in the range of 71-126 kcal/mol. The formation of H2CSiO + H2O has the lowest energy barrier of 71 kcal/mol, whereas the most stable set of products, SiH4 + CO, is formed via a higher energy barrier of 90 kcal/mol. Accordingly, while SiO can break the N-H bond of ammonia without the assistance of other molecules, it is not able to break the C-H bond of methane.

11.
J Comput Chem ; 36(11): 805-15, 2015 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-25694392

RESUMO

We revisit the singlet-triplet energy gap (ΔE(ST)) of silicon trimer and evaluate the gaps of its derivatives by attachment of a cation (H(+), Li(+), Na(+), and K(+)) using the wavefunction-based methods including the composite G4, coupled-cluster theory CCSD(T)/CBS, CCSDT and CCSDTQ, and CASSCF/CASPT2 (for Si3) computations. Both (1)A1 and (3)A2' states of Si3 are determined to be degenerate. An intersystem crossing between both states appears to be possible at a point having an apex bond angle of around α = 68 ± 2° which is 16 ± 4 kJ/mol above the ground state. The proton, Li(+) and Na(+) cations tend to favor the low-spin state, whereas the K(+) cation favors the high-spin state. However, they do not modify significantly the ΔE(ST). The proton affinity of silicon trimer is determined as PA(Si3) = 830 ± 4 kJ/mol at 298 K. The metal cation affinities are also predicted to be LiCA(Si3) = 108 ± 8 kJ/mol, NaCA(Si3) = 79 ± 8 kJ/mol and KCA(Si3) = 44 ± 8 kJ/mol. The chemical bonding is probed using the electron localization function, and ring current analyses show that the singlet three-membered ring Si3 is, at most, nonaromatic. Attachment of the proton and Li(+) cation renders it anti-aromatic.

12.
Phys Chem Chem Phys ; 17(26): 16927-36, 2015 Jul 14.
Artigo em Inglês | MEDLINE | ID: mdl-26058982

RESUMO

Thermally feasible decomposition pathways of formamide (FM) in the presence of vanadium VO(X(4)Σ(-)) and titanium TiO(X(3)Δ) monoxides are determined using density functional theory (BP86 functional) and coupled-cluster theory (CCSD(T)) computations with large basis sets. These diatomic metal oxides have been shown to be present in the prebiotic conditions. The dehydration, decarbonylation and dehydrogenation reactions of the molecular and dissociative complexes of FM and MO (M = V, Ti) turn out to be more favourable than those of the ground state isolated FM. The effect of addition of one or two water molecules on energy barriers is also probed for these reaction pathways. In some cases, a combined catalytic effect when adding water is observed. This enhanced catalytic effect was not observed in previously reported cases of FM transformation, for example, when adding water molecules into the mineral-catalyzed isomerizations of FM. The dehydration process of MO-FM complexes without the presence of water is found to be more feasible than the decarbonylation and dehydrogenation. The overall energy barrier for the non-water VO-FM dehydration is ∼3 kcal mol(-1) lower than the reference energy of the separated systems, whereas those of the two latter reactions are higher than the reference. Although the TiO-FM dehydration has a larger overall barrier of 14 kcal mol(-1) as compared to the VO-FM counterpart, the two other decomposition pathways still have much higher energy barriers. Direct formation of urea and H2CO from a FM dimer and indirect formation of urea from FM via the intermediate HNCO are also established. Urea formation in an indirect pathway is preferred. These low-energy-barrier pathways leading to the formation of important prebiotic molecules suggest that metal monoxides MO could play an important catalytic role in the prebiotic reactions of FM.


Assuntos
Formamidas/química , Óxidos/química , Titânio/química , Vanádio/química , Teoria Quântica , Temperatura
13.
J Phys Chem A ; 119(33): 8871-83, 2015 Aug 20.
Artigo em Inglês | MEDLINE | ID: mdl-26196536

RESUMO

The prebiotic formation of nucleobases, the building blocks of RNA/DNA, is of current interest. Highly reactive radical species present in the atmosphere under irradiation have been suggested to be involved in the prebiotic synthesis of nucleobases from formamide (FM). We studied several free radical reaction pathways for the synthesis of pyrimidine bases (cytosine, uracil, and thymine) from FM under cold conditions. These pathways are theoretically determined using density functional theory (DFT) computations to examine their kinetic and thermodynamic feasibilities. These free radical reaction pathways share some common reaction types such as H-rearrangement, (•)H/(•)OH/(•)NH2 radical loss, and intramolecular radical cyclization. The rate-determining steps in these pathways are characterized with low energy barriers. The energy barriers of the ring formation steps are in the range of 3-7 kcal/mol. Although DFT methods are known to significantly underestimate the barriers for addition of (•)H radical to neutral species, many of these reactions are highly exergonic with energy release of -15 to -52 kcal/mol and are thus favorable. Among the suggested pathways for formation of cytosine (main route, routes 7a and 1a), uracil (main route, routes 7b and 1b), and thymine (main route and route 26a), the main routes are in general thermodynamically more exergonic and more kinetically favored than other alternative routes with lower overall energy barriers. The reaction energies released following formation of cytosine, uracil, and thymine from FM via the main radical routes amount to -59, -81, and -104 kcal/mol, respectively. Increasing temperature induces unfavorable changes in both kinetic and thermodynamic aspects of the suggested routes. However, the main routes are still more favored than the alternative pathways at the temperature up to the boiling point of FM.


Assuntos
Evolução Química , Formamidas/química , Origem da Vida , Pirimidinas/síntese química , Radicais Livres/química , Cinética , Pirimidinas/química , Teoria Quântica , Termodinâmica
14.
J Phys Chem A ; 119(24): 6493-503, 2015 Jun 18.
Artigo em Inglês | MEDLINE | ID: mdl-25993402

RESUMO

The ground state geometries, electronic structures, and thermochemical properties of binary alkaline-earth-metal silicon clusters Si3M with M = Be, Mg, Ca in neutral, cationic, and anionic states were investigated using quantum chemical computations. Lowest-lying isomers of the clusters were determined on the basis of the composite G4 energies. Along with total atomization energies, thermochemical parameters were determined for the first time by means of the G4 and coupled-cluster theory with complete basis set CCSD(T)/CBS approaches. The most favored equilibrium formation sequences for Si3M clusters emerge as follows: all Si3M(+/0/-) clusters are formed by attaching the M atom into the corresponding cation, neutral and anion silicon trimer Si3(+/0/-), except for the Si3Mg(+) and Si3Ca(+) where the metal cations are bound to the neutral Si3. The resulting mixed tetramers exhibit geometrical and electronic features similar to those of the pure silicon tetramer Si4(+/0/-). Electron localization function (ELF) and ring current analyses point out that the σ-aromatic character of silicon tetramer remains unchanged upon substituting one Si atom by one alkaline-earth-metal atom.

15.
J Phys Chem A ; 118(23): 4079-86, 2014 Jun 12.
Artigo em Inglês | MEDLINE | ID: mdl-24832217

RESUMO

The efficient formation of HCN/HNC from formamide (FM) combining the advantages of water-assistance, self-catalyzed reactions, and the mineral surfaces was investigated. Periodic density functional theory calculations with plane-wave pseudopotential basis sets were performed to study the interaction of FM with pyrite (100) ideal and defect surfaces. Effects of sulfur vacancy defect and water on tautomerization and rearrangement barriers of FM on the (100) surface were evaluated. Calculated results show that FM adsorbs more strongly on the defect surface than on the ideal surface, with the lowest adsorption energy on the defect surface being -22 kcal/mol. The energy barriers for rearrangements of FM on these two surfaces being close to each other suggests that the adsorptions on the surfaces have small effects on the energy barriers. The energy barriers for formimic acid isomer formations are 44.5 and 46.0 kcal/mol, and those of aminohydroxymethylene formations are 72.6 and 71.9 kcal/mol on the ideal and defect surfaces, respectively. A reduction of ∼30 kcal/mol in tautomerization energy barriers is observed in water-assisted process on the defect surface. Because this reduction is close to that of the gas-phase reactions, the catalytic effect is clearly due to the presence of water molecule instead of the interaction with the surface. In this case, the pyrite surfaces with the ability to accumulate reactive species only play the role of connecting bridges between the two steps of the proposed reaction mechanism: the water-assisted rearrangement and the self-catalyzed dehydration.


Assuntos
Cianatos/química , Formamidas/química , Cianeto de Hidrogênio/química , Ferro/química , Sulfetos/química , Enxofre/química , Água/química , Catálise , Dessecação , Isomerismo , Cinética , Teoria Quântica , Propriedades de Superfície , Termodinâmica
16.
J Phys Chem A ; 118(34): 7017-23, 2014 Aug 28.
Artigo em Inglês | MEDLINE | ID: mdl-25072600

RESUMO

The effects of kaolinite mineral surfaces on the unimolecular rearrangements of formamide (FM) were investigated using periodic density functional theory in conjunction with pseudopotential plane-wave approach. Surface hydroxyl groups covering the octahedral surface of kaolinite were found to play the role of catalysts in the transformations of FM. They induce a reduction of 31 kcal/mol on the energy barrier for formation of its isomer aminohydroxymethylene (AHM), which is close to the reduction amount calculated for water-catalyzed reactions. This suggests that the kaolinite octahedral surface exerts a catalytic effect similar to that of the water molecule. As the tetrahedral surface does not contain catalytic surface hydroxyl groups, only water-assisted FM transformation was therefore studied on this surface whose energy barrier amounts to ∼17 kcal/mol. The combined effect of both water and kaolinite on FM rearrangements via triple hydrogen transfer reactions does not significantly lower the energy barriers, as compared to those of double hydrogen transfer reactions. The triple hydrogen transfer energy barriers amount to ∼20 and ∼36 kcal/mol, and the double ones are ∼21 and ∼40 kcal/mol for formation of formimic acid and AHM isomers, respectively. However, the energies of the systems in water-catalyzed channels lie below the available energies of the original reactants, and thus these channels are more favored than the water-free ones. With its multiple functions as both a supporting plate-form and a catalyst for FM reactions, kaolinite can thus be regarded as an important natural catalyst for prebiotic synthesis.


Assuntos
Formamidas/química , Caulim/química , Água/química , Catálise , Hidrogênio/química , Isomerismo , Modelos Químicos , Propriedades de Superfície
17.
Health Informatics J ; 30(2): 14604582241263668, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-38898568

RESUMO

BACKGROUND: Although exercise benefits female cancer survivors, clinical decision-making regarding timing, frequency, duration, and intensity is lacking. Optimizing exercise interventions in this population is necessary. This study aimed to describe existing digital home-based exercises and to assess their effectiveness at improving physical health in female cancer survivors upon completion of therapy. DESIGN: We conducted a systematic review using articles from Web of Science, Embase and Medline (Ovid). We included intervention studies examining the effects of digital home-based exercise programs on post-treatment recovery in female cancer survivors. Rob2 and ROBIN I were used to assess quality of studies. Quality-of-life, fatigue score, and physical performance were assessed using meta-analysis. RESULTS: This study involved 1578 female cancer survivors in 21 interventions. Following guidelines and supervised exercise with coaches led to better outcomes than interventions without guidelines, programs without coaches, or lower intensity exercise. Exercise led to significant improvement in some physical performance outcomes. Significant improvements were seen in physical performance outcomes, including the 6-min walk test, metabolic equivalent task, and number of steps per day. CONCLUSION: Providing cancer survivors with standard guidelines for home-based, coach-supervised, vigorous exercise on digital platforms could improve their physical function, health, and quality-of-life.


Assuntos
Sobreviventes de Câncer , Terapia por Exercício , Qualidade de Vida , Humanos , Sobreviventes de Câncer/psicologia , Sobreviventes de Câncer/estatística & dados numéricos , Feminino , Terapia por Exercício/métodos , Terapia por Exercício/normas , Qualidade de Vida/psicologia , Exercício Físico/psicologia
18.
Artigo em Inglês | MEDLINE | ID: mdl-39114528

RESUMO

Objective: The risk of transmission of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) from schoolchildren to their household and the protective effects of vaccination in these settings remain poorly understood. We assessed the transmission dynamics of schoolchildren with SARS-CoV-2 within their households and the protective effects of coronavirus disease (COVID-19) vaccination among household members in Viet Nam. Methods: We estimated the attack rate, vaccine effectiveness and adjusted risk ratio (aRR) of factors associated with SARS-CoV-2 transmission to household contacts of children confirmed to have COVID-19 who attended three schools in Ha Nam, Phu Tho and Thanh Hoa provinces between September and December 2021 using multivariable regression with household-level random effects. Results: This retrospective cohort study included 157 children infected with SARS-CoV-2 and their 540 household contacts. The attack rate among household contacts was 24.6% (133/540). Overall, vaccine effectiveness among household contacts was 39% (95% confidence interval [CI]: -1 to -63), higher among males than females and higher in adults aged > 40 years. COVID-19 transmission was greater among female household contacts compared with males (aRR: 1.35, 95% CI: 0.94 to 1.95), although not statistically significant, and highest among those aged 19-39 years (aRR: 2.51, 95% CI: 1.50 to 4.21). Fully vaccinated household contacts had significantly lower infection risk (aRR: 0.46, 95% CI: 0.26 to 0.84). Discussion: We found substantial onward transmission of SARS-CoV-2 from schoolchildren to household members, and older people were more likely to be protected by vaccination. We recommend that schoolchildren and all household members living with schoolchildren receive at least two doses of a COVID-19 vaccine. Recognizing the role of schoolchildren in the onward transmission of COVID-19 is an important lesson learned by Viet Nam that can help not only in managing other outbreaks but also in protecting schoolchildren by predicting the progress of the outbreak and preparing for a timely response.


Assuntos
Vacinas contra COVID-19 , COVID-19 , SARS-CoV-2 , Humanos , COVID-19/prevenção & controle , COVID-19/epidemiologia , COVID-19/transmissão , Vietnã/epidemiologia , Masculino , Feminino , Criança , SARS-CoV-2/imunologia , Estudos Retrospectivos , Adulto , Vacinas contra COVID-19/administração & dosagem , Adolescente , Eficácia de Vacinas/estatística & dados numéricos , Instituições Acadêmicas , Características da Família , Surtos de Doenças/prevenção & controle , Pessoa de Meia-Idade , Pré-Escolar , Adulto Jovem
19.
Cell Rep Methods ; 4(5): 100772, 2024 May 20.
Artigo em Inglês | MEDLINE | ID: mdl-38744290

RESUMO

Localized cutaneous neurofibromas (cNFs) are benign tumors that arise in the dermis of patients affected by neurofibromatosis type 1 syndrome. cNFs are benign lesions: they do not undergo malignant transformation or metastasize. Nevertheless, they can cover a significant proportion of the body, with some individuals developing hundreds to thousands of lesions. cNFs can cause pain, itching, and disfigurement resulting in substantial socio-emotional repercussions. Currently, surgery and laser desiccation are the sole treatment options but may result in scarring and potential regrowth from incomplete removal. To identify effective systemic therapies, we introduce an approach to establish and screen cNF organoids. We optimized conditions to support the ex vivo growth of genomically diverse cNFs. Patient-derived cNF organoids closely recapitulate cellular and molecular features of parental tumors as measured by immunohistopathology, methylation, RNA sequencing, and flow cytometry. Our cNF organoid platform enables rapid screening of hundreds of compounds in a patient- and tumor-specific manner.


Assuntos
Neurofibroma , Organoides , Neoplasias Cutâneas , Humanos , Organoides/patologia , Neoplasias Cutâneas/patologia , Neurofibroma/patologia , Neurofibroma/cirurgia , Neurofibromatose 1/patologia
20.
Vet Ital ; 60(1)2024 04 11.
Artigo em Inglês | MEDLINE | ID: mdl-38602499

RESUMO

In October 2020, the first outbreaks of lumpy skin disease (LSD) in Lang Son Province, Vietnam were reported by our laboratory. The disease had rapidly spread to the South, and it was reported in 55 of 63 provinces and cities of Vietnam by the end of 2021. The most economic loss caused by this disease occurred in the north-central region in 2021 where approximately 46,788 LSD virus (LSDV) infected cattle and buffaloes have been reported and 8,976 animals have been culled. However, the information on this pathogen circulating in this region is missing. Here, we describe the molecular characterization of LSDV circulating in north-central Vietnam in 2021 and early 2022. In total, 155 LSDV samples were collected during this period and three of these samples from each province were further characterized by Sanger sequencing analysis based on three key maker genes (GPCR, RPO30, and p32). Sequence comparison and phylogenetic analysis based on GPCR, RPO30, and p32 genes indicated that LSDV strains circulating in north-central Vietnam are closely related to previously reported strains in Vietnam regions which bordered China and all LSDV strains were 100% identical. These results show the importance of continuous monitoring and characterization of circulating LSDV strains and are important for vaccine development for the control and eradication of LSD in Vietnam.


Assuntos
Vírus da Doença Nodular Cutânea , Animais , Bovinos , Vírus da Doença Nodular Cutânea/genética , Filogenia , Vietnã/epidemiologia , Búfalos , Surtos de Doenças/veterinária
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