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1.
Phys Chem Chem Phys ; 26(15): 11825-11832, 2024 Apr 17.
Artigo em Inglês | MEDLINE | ID: mdl-38566602

RESUMO

This study investigates the optical absorption of monolayer phosphorene, focusing on its response to the electron-phonon coupling (EPC) and an electric field. Using a tight-binding Hamiltonian model based on the Barisic-Labbe-Friedel-Su-Schrieffer-Heeger model and the Kubo formula, we calculate the electronic band structure and optical absorption characteristics. The anisotropic dispersion of carriers along armchair and zigzag directions leads to distinct optical responses. Positive and negative EPC effects increase and decrease hopping parameters, respectively, enlarging and reducing/closing the band gap. Moreover, both EPCs cause an admixture of blue and red shift spectrum along the armchair direction, while a red (blue) shift spectrum is observed for positive (negative) EPC along the zigzag direction. Incorporating electric field effects in the EPC increases band gaps for both positive and negative EPC activities, resulting in shifted optical peaks along both directions.

2.
Int J Mol Sci ; 24(20)2023 Oct 12.
Artigo em Inglês | MEDLINE | ID: mdl-37894797

RESUMO

Understanding the role of 3CLpro protease for SARS-CoV-2 replication and knowing the potential of flavonoid molecules like rutin, myricetin, and baicalein against 3CLpro justify an investigation into their inhibition. This study investigates possible bonds and reactivity descriptors of rutin, myricetin, and baicalein through conformational and electronic properties. Density functional theory was used to determine possible interactions. Analyses were carried out through the molecular electrostatic potential, electron localization function, Fukui function descriptors based on frontier orbitals, and non-covalent interactions. A docking study was performed using a resolution of 1.55 Å for 3CLpro to analyze the interactions of rutin, myricetin, and baicalein. Scores of structures showed that rutin is the best ligand, followed by myricetin and baicalein. Docking studies showed that baicalein and rutin can establish effective interactions with residues of the catalytic dyad (Cys145 and His41), but just rutin forms a hydrogen bond. Myricetin, in turn, could not establish an effective interaction with Cys145. Baicalein interaction arose with active residues such as Arg188, Val186, Gln189, and Gln192. Interactions of rutin and myricetin with Arg188 and Gln189 were also found. A critical interaction was observed only for rutin with the hydroxyls of ring A with His41, and also for Cys145 with rings B and C, which is probably related to the highest score of rutin.


Assuntos
Flavanonas , Rutina , Flavonoides/farmacologia , Simulação de Acoplamento Molecular , Inibidores de Proteases/química , Simulação de Dinâmica Molecular , Antivirais/farmacologia
3.
Org Lett ; 25(43): 7940-7945, 2023 Nov 03.
Artigo em Inglês | MEDLINE | ID: mdl-37877616

RESUMO

An aza-Robinson annulation strategy is described using a NaOEt-catalyzed conjugate addition of cyclic imides onto vinyl ketones, followed by a TfOH-mediated intramolecular aldol condensation to afford densely functionalized fused bicyclic amides. The potential use of these amides in the synthesis of alkaloids is demonstrated by the sequential conversion of appropriate precursors to (±)-coniceine and quinolizidine in two additional steps, thus allowing their preparation in overall 40 and 44% yields, respectively.

4.
N Engl J Med ; 389(15): 1357-1367, 2023 Oct 12.
Artigo em Inglês | MEDLINE | ID: mdl-37819954

RESUMO

BACKGROUND: Adjunctive glucocorticoids are widely used to treat human immunodeficiency virus (HIV)-associated tuberculous meningitis despite limited data supporting their safety and efficacy. METHODS: We conducted a double-blind, randomized, placebo-controlled trial involving HIV-positive adults (≥18 years of age) with tuberculous meningitis in Vietnam and Indonesia. Participants were randomly assigned to receive a 6-to-8-week tapering course of either dexamethasone or placebo in addition to 12 months of antituberculosis chemotherapy. The primary end point was death from any cause during the 12 months after randomization. RESULTS: A total of 520 adults were randomly assigned to receive either dexamethasone (263 participants) or placebo (257 participants). The median age was 36 years; 255 of 520 participants (49.0%) had never received antiretroviral therapy, and 251 of 484 participants (51.9%) with available data had a baseline CD4 count of 50 cells per cubic millimeter or less. Six participants withdrew from the trial, and five were lost to follow-up. During the 12 months of follow-up, death occurred in 116 of 263 participants (44.1%) in the dexamethasone group and in 126 of 257 participants (49.0%) in the placebo group (hazard ratio, 0.85; 95% confidence interval, 0.66 to 1.10; P = 0.22). Prespecified analyses did not reveal a subgroup that clearly benefited from dexamethasone. The incidence of secondary end-point events, including cases of immune reconstitution inflammatory syndrome during the first 6 months, was similar in the two trial groups. The numbers of participants with at least one serious adverse event were similar in the dexamethasone group (192 of 263 participants [73.0%]) and the placebo group (194 of 257 participants [75.5%]) (P = 0.52). CONCLUSIONS: Among HIV-positive adults with tuberculous meningitis, adjunctive dexamethasone, as compared with placebo, did not confer a benefit with respect to survival or any secondary end point. (Funded by the Wellcome Trust; ACT HIV ClinicalTrials.gov number, NCT03092817.).


Assuntos
Antirretrovirais , Antituberculosos , Dexametasona , Glucocorticoides , Infecções por HIV , Tuberculose Meníngea , Adulto , Humanos , Dexametasona/efeitos adversos , Dexametasona/uso terapêutico , Método Duplo-Cego , Glucocorticoides/efeitos adversos , Glucocorticoides/uso terapêutico , HIV , Infecções por HIV/complicações , Infecções por HIV/tratamento farmacológico , Soropositividade para HIV/complicações , Soropositividade para HIV/tratamento farmacológico , Tuberculose Meníngea/complicações , Tuberculose Meníngea/tratamento farmacológico , Antituberculosos/efeitos adversos , Antituberculosos/uso terapêutico , Quimioterapia Combinada/efeitos adversos , Antirretrovirais/efeitos adversos , Antirretrovirais/uso terapêutico
5.
PLoS One ; 18(4): e0284085, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37036840

RESUMO

Studying structural variants that can control complex traits is relevant for dairy cattle production, especially for animals that are tolerant to breeding conditions in the tropics, such as the Dairy Gir cattle. This study identified and characterized high confidence copy number variation regions (CNVR) in the Gir breed genome. A total of 38 animals were whole-genome sequenced, and 566 individuals were genotyped with a high-density SNP panel, among which 36 animals had both sequencing and SNP genotyping data available. Two sets of high confidence CNVR were established: one based on common CNV identified in the studied population (CNVR_POP), and another with CNV identified in sires with both sequence and SNP genotyping data available (CNVR_ANI). We found 10 CNVR_POP and 45 CNVR_ANI, which covered 1.05 Mb and 4.4 Mb of the bovine genome, respectively. Merging these CNV sets for functional analysis resulted in 48 unique high confidence CNVR. The overlapping genes were previously related to embryonic mortality, environmental adaptation, evolutionary process, immune response, longevity, mammary gland, resistance to gastrointestinal parasites, and stimuli recognition, among others. Our results contribute to a better understanding of the Gir breed genome. Moreover, the CNV identified in this study can potentially affect genes related to complex traits, such as production, health, and reproduction.


Assuntos
Variações do Número de Cópias de DNA , Genoma , Bovinos/genética , Animais , Variações do Número de Cópias de DNA/genética , Genótipo , Herança Multifatorial , Evolução Biológica , Polimorfismo de Nucleotídeo Único
6.
Antivir Ther ; 28(2): 13596535231170751, 2023 04.
Artigo em Inglês | MEDLINE | ID: mdl-37114944

RESUMO

BACKGROUND: Children living with HIV (CLHIV) on prolonged antiretroviral therapy (ART) are at risk for lipid and glucose abnormalities. Prevalence and associated factors were assessed in a multicentre, Asian longitudinal paediatric cohort. METHODS: CLHIV were considered to have lipid or glucose abnormalities if they had total cholesterol ≥200 mg/dL, high-density lipoprotein (HDL) ≤35 mg/dL, low-density lipoprotein (LDL) ≥100 mg/dL, triglycerides (TG) ≥110 mg/dL, or fasting glucose >110 mg/dL. Factors associated with lipid and glucose abnormalities were assessed by logistic regression. RESULTS: Of 951 CLHIV, 52% were male with a median age of 8.0 (interquartile range [IQR] 5.0-12.0) years at ART start and 15.0 (IQR 12.0-18.0) years at their last clinic visit. 89% acquired HIV perinatally, and 30% had ever used protease inhibitors (PIs). Overall, 225 (24%) had hypercholesterolemia, 105 (27%) low HDL, 213 (58%) high LDL, 369 (54%) hypertriglyceridemia, and 130 (17%) hyperglycemia. Hypercholesterolemia was more likely among females (versus males, aOR 1.93, 95% CI 1.40-2.67). Current PIs use was associated with hypercholesterolemia (current use: aOR 1.54, 95% CI 1.09-2.20); low HDL (current use: aOR 3.16, 95% CI 1.94-5.15; prior use: aOR 10.55, 95% CI 2.53-43.95); hypertriglyceridemia (current use: aOR 3.90, 95% CI 2.65-5.74; prior use: aOR 2.89, 95% CI 1.31-6.39); high LDL (current use: aOR 1.74, 95% CI 1.09-2.76); and hyperglycemia (prior use: aOR 2.43, 95% CI 1.42-4.18). CONCLUSION: More than half and one-fifth of CLHIV have dyslipidemia and hyperglycemia, respectively. Routine paediatric HIV care should include metabolic monitoring. The association between PIs use and dyslipidemia emphasizes the importance of rapidly transitioning to integrase inhibitor-containing regimens.


Assuntos
Dislipidemias , Infecções por HIV , Hipercolesterolemia , Hiperglicemia , Hiperlipidemias , Hipertrigliceridemia , Feminino , Humanos , Masculino , Criança , Pré-Escolar , Glucose , Dislipidemias/epidemiologia , Triglicerídeos , Infecções por HIV/complicações , Infecções por HIV/tratamento farmacológico , Infecções por HIV/epidemiologia , Lipoproteínas LDL , Hiperglicemia/epidemiologia , Hipertrigliceridemia/epidemiologia , Ásia/epidemiologia , HDL-Colesterol
7.
Clin Infect Dis ; 77(4): 565-573, 2023 08 22.
Artigo em Inglês | MEDLINE | ID: mdl-37099356

RESUMO

BACKGROUND: Late-relapsing hepatitis after yellow fever (LHep-YF) during the convalescent phase of the disease has been described during recent yellow fever (YF) outbreaks in Brazil. LHep-YF is marked by a rebound in liver enzymes and nonspecific clinical manifestations around 46-60 days after YF symptom onset. METHODS: Here we have characterized the clinical course and risk factors for LHep-YF using data from a representative cohort of patients who survived YF in Brazil, 2017-2018. A total of 221 YF-positive patients were discharged from the infectious disease reference hospital in Minas Gerais and were followed up at 30, 45, and 60 days post-symptom onset. RESULTS: From 46 to 60 days post-symptom onset, 16% of YF patients (n = 36/221) exhibited a rebound of aminotransferases (aspartate aminotransferase or alanine aminotransferase >500 IU/L), alkaline phosphatase, and total bilirubin levels. Other etiologies of liver inflammation such as infectious hepatitis, autoimmune hepatitis, and metabolic liver disease were ruled out. Jaundice, fatigue, headache, and low platelet levels were associated with LHep-YF. Demographic factors, clinical manifestations, laboratory tests, ultrasound findings, and viral load during the acute phase of YF were not associated with the occurrence of LHep-YF. CONCLUSIONS: These findings provide new data on the clinical course of Late-relapsing hepatitis during the convalescent phase of YF and highlight the need for extended patient follow-up after acute YF.


Assuntos
Hepatite A , Hepatite , Vacina contra Febre Amarela , Febre Amarela , Humanos , Febre Amarela/complicações , Febre Amarela/epidemiologia , Surtos de Doenças , Fatores de Risco , Hepatite/epidemiologia , Hepatite A/epidemiologia , Brasil/epidemiologia , Progressão da Doença
8.
Braz J Biol ; 83: e270735, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37075430

RESUMO

Information from Pereskia aculeata Miller (Cactaceae) responses regarding the portion of the stem cuttings branch parental plants and the shading level need to be investigated in order to establish techniques for their producing seedlings. We aimed was to evaluate the effect of cutting types and shading levels in the production of P. aculeata seedlings. We studied three cutting types, collected from different portions of the stem cuttings branch: herbaceous, semi-hardwood, and hardwood, which were arranged under two shading levels: 0% (full sun) or 50% (shade). The selected parent plants had an adequate and vigorous phytosanitary aspect. After 90 days after the cuttings, the seedlings were evaluated regarding survival, growth indicators, biomass production and partitioning, and allometric indices. Seedlings from hardwood cuttings and produced under 0% shading showed higher survival. The largest number of sprouts occurred in seedlings of semi-hardwood and hardwood cuttings. The highest leaf area values ​​occurred in seedlings of semi-hardwood and hardwood cuttings under 0% shading. Seedlings from hardwood cuttings had higher biomass allocation in the roots under 50% shading. Seedlings of herbaceous and semi-hardwood portion allocated values ≥ 70% of the biomass in the aerial part. Seedlings of species are able to adjust to different shading levels as a plasticity mechanism. For the production of P. aculeata seedlings, the hardwood portion of the stem cuttings branch under full sun cultivation is recommended. In addition, semi-hardwood cuttings grown under 50% shading can also be used for seedlings production.


Assuntos
Folhas de Planta , Plântula , Folhas de Planta/fisiologia , Raízes de Plantas , Biomassa
9.
Poult Sci ; 102(4): 102541, 2023 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-36893616

RESUMO

The aim of this study was to evaluate the effectiveness of ß-glucans and MOS, essential oil (mixture of carvacrol and thymol), and the probiotic based on Saccharomyces boulardi, as an alternative to anticoccidial agents. In this experiment, six hundred seventy-two 1-day-old male broiler chicks were housed in batteries for 28 d. The experimental design of 4 randomized blocks with 24 cages each, and 7 birds per cage, consisted of an initial phase from 1 to 14 d of age, and a growth phase, from 15 to 28 d of age. The rations were formulated based on corn and soybean meal as energy and protein ingredients, respectively. All birds were inoculated with Eimeria spp and C. Perfringes at 14 d of age, and with C. Perfringes only at 21 d of age. The results showed the best weight gain in the initial phase when the anticoccidial agent was applied, whereas the use of additives in growth and entire experimental phases showed superior results in all treatments for this parameter. The birds that did not receive additives in the rations had the worst feed conversion in both phases and along raising. The results showed no significant differences between the treatments for the scores of lesions in the digestive tract and counts in the cecum, however, the red lesions increased numerically in the duodenum and jejunum of birds fed diets without the inclusion of additives. The use of additives indicated effectiveness for the parameters of performance in broilers challenged with C. Perfringes and Eimeria spp. at 14 d of age, and with C. Perfringes at 21 d of age.


Assuntos
Infecções por Clostridium , Coccidiose , Eimeria , Óleos Voláteis , Doenças das Aves Domésticas , Probióticos , beta-Glucanas , Animais , Masculino , Ração Animal/análise , Galinhas , Infecções por Clostridium/prevenção & controle , Infecções por Clostridium/veterinária , Clostridium perfringens , Coccidiose/prevenção & controle , Coccidiose/veterinária , Dieta/veterinária , Óleos Voláteis/farmacologia , Doenças das Aves Domésticas/prevenção & controle , Probióticos/farmacologia
10.
JBRA Assist Reprod ; 27(2): 222-225, 2023 Jun 22.
Artigo em Inglês | MEDLINE | ID: mdl-36749806

RESUMO

OBJECTIVE: The aim of this study was to evaluate the response to weight loss guidance in the anthropometric parameters of obesity and overweight infertile patients assisted fertilization treatment (high and low complexity). METHODS: Retrospective cohort study. This survey was conducted in a population of overweight and obese infertile patients. In the first consultation at the assisted reproduction clinic (Human Reproduction Laboratory HC / UFG), obese and overweight patients were weighed, measured and instructed to lose weight and informed that being overweight could reduce the chances of success in the treatment. RESULTS: We analyzed 56 overweight and obese patients admitted for infertility treatment at the Human Reproduction Center HC/UFG. The mean age of overweight and obese patients was 35.78 years, SD 3.70. After the orientation, only 8.92% of patients would achieve the normality rating for BMI, overweight 39.28% (decreased 14.29%), obesity I 37.5%, obesity II 10.71% and obesity III 3.57% (all degrees of obesity increased 1.79%). The mean weight of patients before and after guidance was statistically significant (p<0.0046). The mean values of BMI before and after guidance were also statistically significant (p<0.0038). CONCLUSIONS: Weight loss guidance in this population had no effect on weight loss. On the contrary, the mean weight of patients after guidance was statistically higher than the mean in the first consultation (both weight and BMI). It is suggested that for obese and overweight infertile patients, in addition to guidance for reduction, an appointment with a nutritionist and/or endocrinologist should be immediately scheduled.


Assuntos
Infertilidade , Sobrepeso , Humanos , Adulto , Sobrepeso/complicações , Sobrepeso/epidemiologia , Sobrepeso/terapia , Índice de Massa Corporal , Estudos Retrospectivos , Obesidade/complicações , Obesidade/epidemiologia , Obesidade/terapia , Infertilidade/epidemiologia , Infertilidade/terapia , Redução de Peso
11.
Nutrients ; 15(4)2023 Feb 07.
Artigo em Inglês | MEDLINE | ID: mdl-36839203

RESUMO

(1) Measuring usual iodine intake is a complex task due to the food consumption variability and its natural concentration in food. Therefore, the use of covariates to adjust statistical methods to estimate usual intake could improve the estimates obtained through dietary surveys. This study aims to evaluate the influence of salt and seasoning usage covariates on the estimates of usual iodine intake and the prevalence of its inadequacy. (2) A cross-sectional study was conducted with Brazilian pregnant women's food consumption data obtained with 24-h recall (n = 2247). The usual iodine intake was adjusted for intraindividual variability, supplement use, temporal effects, data collection methods, and sociodemographic characteristics with the tool UCD/NCI SIMPLE in the SAS software. Then, salt and seasoning usage covariates were used to adjust the distribution. The harmonized intake reference values for populations were used to assess intake adequacy. (3) The adjustments for salt and seasoning usage yielded a higher mean of usual iodine intakes. The only exception was the adjustment for the "habit of adding salt to meals after preparing/cooking", which produced a lower mean of usual intake and increased the prevalence of insufficient intake. (4) Salt and seasoning usage covariates affect the estimates evaluated. However, more studies are necessary to evaluate the influence observed.


Assuntos
Iodo , Gestantes , Humanos , Feminino , Gravidez , Prevalência , Estudos Transversais , Dieta , Cloreto de Sódio na Dieta , Suplementos Nutricionais
12.
Environ Res ; 232: 115107, 2023 Sep 01.
Artigo em Inglês | MEDLINE | ID: mdl-36702190

RESUMO

This study presents the first integrated study on total Hg (THg) level in surface soil (SS), bottom soil (BS), stream sediments (SD), lake sediments (LS), stream water (SW), and lake water (LW) of Itacaiúnas River Watershed (IRW), Brazil to investigate the source and distribution of Hg in different environmental media considering contrasts of geological domains and sub-basins and its potential ecological and human risk. Hg content in most of the soils and sediments were above the upper crustal average values (56 µg/kg), however, when compared to the legal limits set by the Resolution CONAMA (Conselho Nacional de Meio Ambiente: soil 500 µg/kg; sediment 486 µg/kg), only 1 soil sample from Parauapebas sub-basin and 4 sediment samples from Violão Lake exceeded the limit. None of the SW and LW samples (<0.2 µg/L; CONAMA limit for Class II freshwater) are markedly contaminated by Hg. The SS and BS show similar contents and spatial distribution of Hg with higher contents being registered mostly in the Itacaiúnas and Parauapebas sub-basins, which are closely correlated with SD. This suggests that Hg levels are largely of geogenic origin and anthropogenic effect is highly limited. Principal Component Analysis (PCA) results show that Hg is strongly associated with total organic carbon (TOC), loss on ignition (LOI), and SO3, indicating organic matter as the main factor controlling the distribution of Hg and this is the major cause of accentuated Hg enrichment in lake sediments. The ecological risk index revealed a low pollution risk for most of the solid samples, except 11% LS and <1.5% SS and SD samples, which registered moderate risk. Health risk assessment indicated no adverse non-carcinogenic health effect on either adults and children in terms of Hg contamination. This information will be useful for Hg risk assessment in the Carajás region and future environmental research in this direction in the Amazonia.


Assuntos
Mercúrio , Poluentes Químicos da Água , Criança , Humanos , Mercúrio/análise , Brasil , Multimídia , Solo , Medição de Risco , Rios , Água , Monitoramento Ambiental/métodos , Sedimentos Geológicos , Poluentes Químicos da Água/análise , China
13.
Braz J Anesthesiol ; 73(2): 220-222, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-33762189

RESUMO

Burning mouth syndrome is a poorly understood entity for which current treatment modalities fail to provide effective relieve. Branches of the maxillary and mandibular nerves are responsible for the innervation of the affected area. These are also the nerves involved in trigeminal neuralgia, an entity where sphenopalatine block has proved to be effective. We present a case of a patient with burning mouth syndrome in whom a bilateral sphenopalatine ganglion block was successfully performed for pain treatment. It is an easy and safe technique that can be a valuable treatment option for these patients, although more studies are needed.


Assuntos
Síndrome da Ardência Bucal , Bloqueio do Gânglio Esfenopalatino , Neuralgia do Trigêmeo , Humanos , Bloqueio do Gânglio Esfenopalatino/métodos , Síndrome da Ardência Bucal/terapia , Síndrome da Ardência Bucal/complicações , Resultado do Tratamento , Neuralgia do Trigêmeo/terapia , Neuralgia do Trigêmeo/etiologia , Manejo da Dor
14.
An Acad Bras Cienc ; 94(4): e20201378, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36477991

RESUMO

Inflammatory bowel diseases are a group of inflammatory disorders of the gastrointestinal tract. Their prevalence is still low in Brazil, but the incidence is increasing annually. A variety of compounds present in Curcuma longa L., particularly curcumin, have been shown to reduce oxidative stress and aid in the prevention of associated diseases. This study aimed to assess the effect of curcumin transdermal gel on oxidative stress and intestinal inflammation in IL-10 knockout mice. Female mice were divided into four groups: a control group (C0) treated with vehicle and three experimental groups treated with transdermal gel containing 50 (C50), 75 (C75), and 100 (C100) mg curcumin kg-1 body weight. Colon malondialdehyde concentrations were lower in C50 and C75 groups. C100 treatment led to reduced catalase activity in the small intestine, whereas C50, C75, and C100 treatments resulted in decreased catalase activity in the colon. In contrast, superoxide dismutase activity increased in the small intestine of C50 and C75 mice and decreased in the colon of C50, C75, and C100 mice. Glutathione S-transferase activity increased in the small intestine and decreased in the colon of C75 animals. These findings suggest that curcumin transdermal gel exerts a protective effect against oxidative stress.


Assuntos
Curcumina , Doenças Inflamatórias Intestinais , Animais , Feminino , Camundongos , Anti-Inflamatórios , Antioxidantes/farmacologia , Curcumina/farmacologia , Curcumina/uso terapêutico , Interleucina-10 , Camundongos Knockout
15.
J Pharm Pract ; : 8971900221137629, 2022 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-36320157

RESUMO

Background: The use of potentially inappropriate medications (PIM) by the elderly is commonly studied, but studies evaluating the use of PIM by frail elderly covered by prepaid health plans are still lacking. Objective: To identify the prevalence of use and the factors associated with the use of PIM by the elderly patients with high and moderate risk of clinical-functional vulnerability, according to the Beers criteria 2019. Methods: A cross-sectional study was developed with elderly people from a private health plan in Vitória-ES, Brazil. Socioeconomic, demographic and clinical data were collected through a digital platform and a structured questionnaire through an interview, from October 2018 to June 2019. The association between the use of PIM and independent variables was verified by univariate logistic regression with their respective confidence intervals (CI) 95%. The Multiple Model included the variables with P ≤ .20. Results: 332 elderly patients were interviewed (mean age 81.5 years, gender 237 female, 95 male). A 65% prevalence of PIM use was identified. In the multiple logistic regression model, the variables associated with the use of PIM were self-medication (P = .004), high risk of clinical-functional vulnerability (P = .022), use of psychotropic medications (P = .000001), musculoskeletal medications (P = .04) and alimentary tract medications (P = .03). Physical exercises were considered a protection factor (P = .02). Conclusion: The high prevalence of PIM use indicates the need for improvement in elderly private health care, to increase pharmacotherapy safety for this population.

16.
J Inorg Biochem ; 236: 111970, 2022 11.
Artigo em Inglês | MEDLINE | ID: mdl-36049259

RESUMO

Gold(III) complexes are promising compounds for cancer chemotherapy, whose action depends on their redox stability. In this context, the choice of ligands is crucial to adjust their reactivity and biological response. The present study addressed the effect of the gold coordination sphere on the reduction potential (Eo) for ten gold(III) complexes containing five or six-membered rings tridentate ligands - [AuIII(trident)Cl]3+n (trident = N^N^N, C^N^N, C^C^N, C^N^C, and N^C^N). The calculated Eo covered a broad range of 2500 mV with the most stable complexes containing two AuC bonds (Eo = -1.85 V for [AuIII(C^C^N)Cl] - f). For complexes with one AuC bond, the N^C^N ligands stabilize the gold(III) complex more efficiently than N^N^C; however, the inclusion of the non-innocent ligand bipy (2,2'-bipyridine) in N^N portion provides an extra stabilization effect. Among the derivatives with one AuC bond, [AuIII(N^N^C)Cl]+ (N^N = bipy) (a) showed Eo = -1.20 V. For the complexes with N^N^N ligands, Eo was positive and almost constant (+0.60 V). Furthermore, the kinetics for ligand exchange reactions (Cl-/H2O, H2O/Cys and Cl-/Cys) were monitored for the most stable compounds and the energy profiles compared to the reduction pathways.


Assuntos
2,2'-Dipiridil , Ouro , Ouro/química , Ligantes , Oxirredução
17.
Molecules ; 27(16)2022 Aug 15.
Artigo em Inglês | MEDLINE | ID: mdl-36014427

RESUMO

This work developd nanomaterials formulated from annatto seed oily extract (ASE), myristic acid (tetradecanoic acid), and their fatty acid esters. The annatto seed oily extract was obtained using only soybean oil (ASE + SO) and Brazil nut oil (ASE + BNO). The UV/VIS analysis of the oily extracts showed three characteristic peaks of the bixin molecule at 430, 456 and 486 nm. The lipid nanoparticles obtained using myristic acid and ASE + BNO or only BNO showed better results than the oil soybean extract, i.e., the particle size was <200 nm, PDI value was in the range of 0.2−0.3, and had no visual physical instability as they kept stable for 28 days at 4 °C. Lipid nanoemulsions were also produced with esters of myristic acid and ASE + BNO. These fatty acid esters significantly influenced the particle size of nanoemulsions. For instance, methyl tetradecanoate led to the smallest particle size nanoemulsions (124 nm), homogeneous size distribution, and high physical stability under 4 and 32 °C for 28 days. This work demonstrates that the chemical composition of vegetable oils and myristic acid esters, the storage temperature, the chain length of fatty acid esters (FAE), and their use as co-lipids improve the physical stability of lipid nanoemulsions and nanoparticles from annatto seed oily extract.


Assuntos
Bixaceae , Carotenoides , Extratos Vegetais , Sementes , Ácidos Graxos , Lipossomos , Ácido Mirístico , Nanopartículas , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Sementes/química
18.
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
19.
Sleep Breath ; 26(1): 477-487, 2022 03.
Artigo em Inglês | MEDLINE | ID: mdl-33928485

RESUMO

PURPOSE: We analyzed the association between bedtime smart device usage habits and accelerometer-measured sleep outcomes (total sleeping time, sleep efficiency, and wake after sleep onset) in Hong Kong children and adolescents aged 8-14. METHODS: A total of 467 students in Hong Kong participated in this study from 2016 to 2017. They self-reported their bedtime smart device usage habits. The primary caregiver of each participant was also invited to complete a self-administered questionnaire about the family's social-economic status and bedtime smart device usage habits. An ActiGraph GT3X accelerometer was used to assess participants' 7-day sleep outcomes. RESULTS: The mean age of the participants was 10.3 (SD 1.9), and 54% were girls. Among the participants, 27% (n = 139) used a smart device before sleep, and 33% (n = 170) kept the smart device on before sleep. In total, 27% (n = 128) placed the smart device within reach before sleep, 23% (n = 107) would wake up when notifications were received, and 25% (n = 117) immediately checked the device after being awakened by a notification. Multiple regression controlling for age, sex, socio-economic status, and other confounders showed that those who woke up after receiving a notification had a statistically longer sleeping time (19.7 min, 95% CI: 0.3, 39.1, p = 0.046), lower sleep efficiency (- 0.71%, 95% CI - 1.40, - 0.02, p = 0.04), and a longer wake after sleep onset (2.6 min, 95% CI: 0.1, 5.1, p = 0.045) than those who did not. Nonetheless, all primary caregivers' bedtime smart device habits were insignificantly associated with all sleep outcomes of their children. CONCLUSION: Those who woke up after receiving smart device notifications had lower sleep efficiency and longer wake after sleep onset than those who did not, and they compensated for their sleep loss by lengthening their total sleep time.


Assuntos
Acelerometria , Sono , Smartphone , Adolescente , Criança , Feminino , Hong Kong , Humanos , Masculino , Qualidade do Sono , Fatores de Tempo
20.
Inflammation ; 45(1): 14-30, 2022 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-34546513

RESUMO

Metabolic syndrome (MetS) has been prevalent among adolescents. The association between the concentration of inflammatory markers and the individual components of the metabolic syndrome indicates that inflammation, when there is no recent or ongoing disease, mediated by an inflammatory process, is an event that may precede the development of metabolic disorders in teenagers. The objective of this study is to verify the association of inflammatory biomarkers with the components of metabolic syndrome in adolescents. From a search of 3 databases, 13 articles met the study inclusion criteria. Two investigators independently extracted data from included studies. The evaluated inflammatory biomarkers are related to the components of MetS (insulin resistance, central and visceral obesity, arterial hypertension, dyslipidemia), which may increase the risk of developing the syndrome in adolescents. The results of this review are of clinical relevance, since the evaluation of inflammatory biomarkers in the presence of metabolic alterations can help to identify the risk factors that lead to the progression of MetS in adolescents.


Assuntos
Biomarcadores/metabolismo , Inflamação/fisiopatologia , Síndrome Metabólica/etiologia , Adolescente , Citocinas/metabolismo , Humanos , Inflamação/diagnóstico , Inflamação/metabolismo , Síndrome Metabólica/diagnóstico , Síndrome Metabólica/metabolismo , Síndrome Metabólica/fisiopatologia , Medição de Risco , Fatores de Risco
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