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1.
Int J Rheumatol ; 2024: 1583506, 2024.
Article in English | MEDLINE | ID: mdl-38332984

ABSTRACT

Objectives: To assess the effectiveness of transcranial direct current stimulation (tDCS) for pain, fatigue, physical function, and health-related quality of life in patients with idiopathic inflammatory myopathy (IIM). Methods: This randomized, double-blind, sham-controlled, crossover clinical trial enrolled IIM patients with fatigue and pain who received tDCS (20 min, 2 mA) or sham stimulation for 10 daily sessions. Electrodes were placed according to the 10/20 EEG system. Both the groups underwent aerobic exercise training during the intervention period. The patients were evaluated for disease perception, pain, and fatigue using uni-multidimensional questionnaires and physical tests in the periods before and after the first and second interventions and after 12 weeks of follow-up. Results: After the tDCS intervention, a reduction in the general score of multidimensional pain of 32.0 (1.5-38.0) vs. 0.0 (0.0-13.4) with effect size (ES) of -0.78 was noted, and after sham intervention, a reduction of 26.0 (0.0-37.0) vs. 5.0 (0.0-19.2) with ES of -0.54 (P = 0.047) was also noted. Similar results were evidenced with fatigue (22.5 (15.4-33.2) vs. 5.5 (0.0-14.6) with ES of -0.82) and sham intervention (21.0 (15.8-29.5) vs. 4.0 (4.0-17.5) with ES of -0.80 (P = 0.012)). There were no differences in the domains of the fatigue and pain questionnaires. Adherence was observed in 88.8% of the patients without adverse events. Conclusion: The association of tDCS with aerobic training promoted additional effects in relation to the group subjected to placebo stimulation on general pain and fatigue scores, as well as on pain intensity, without changes in the subdomains of the pain and fatigue questionnaire. This trial is registered with NCT04678635.

2.
Calcif Tissue Int ; 114(3): 267-275, 2024 03.
Article in English | MEDLINE | ID: mdl-38253933

ABSTRACT

Bone and mineral metabolism abnormalities are frequent in kidney transplant recipients and have been associated with cardiovascular morbidity. The primary aim of this study was to analyse the association between routine clinically available biochemical evaluation, non-routine histomorphometric bone evaluation, and vascular disease in kidney transplanted patients. A cross-sectional analysis was performed on 69 patients, 1-year after kidney transplantation. Laboratory analysis, radiography of hands and pelvis, bone biopsy, bone densitometry, and coronary CT were performed. One-year post-transplantation, nearly one-third of the patients presented with hypercalcemia, 16% had hypophosphatemia, 39.3% had iPTH levels > 150 pg/mL, 20.3% had BALP levels > 40 U/L, and 26.1% had hypovitaminosis D. Evaluation of extraosseous calcifications revealed low Adragão and Agatston scores. We divided patients into three clusters, according to laboratory results routinely used in clinical practice: hypercalcemia and hyperparathyroidism (Cluster1); hypercalcemia and high BALP levels (Cluster2); hypophosphatemia and vitamin D deficiency (Cluster 3). Patients in clusters 1 and 2 had higher cortical porosity (p = 0.001) and osteoid measurements, although there was no difference in the presence of abnormal mineralization, or low volume. Patients in cluster 2 had a higher BFR/BS (half of the patients in cluster 2 had high bone turnover), and most patients in cluster 1 had low or normal bone turnover. Cluster 3 has no differences in volume, or turnover, but 60% of the patients presented with pre-osteomalacia. All three clusters were associated with high vascular calcifications scores. Vascular calcifications scores were not related to higher bone mineral density. Instead, an association was found between a higher Adragão score and the presence of osteoporosis at the femoral neck (p = 0.008). In conclusion, inferring bone TMV by daily clinical biochemical analysis can be misleading, and bone biopsy is important for assessing both bone turnover and mineralization after kidney transplantation, although hypophosphatemia combined with vitamin D deficiency is associated with abnormal mineralization. The presence of hypercalcemia with high levels of PTH or high levels of BALP, or hypophosphatemia and vitamin D deficiency should remind us to screen vascular calcification status of patients.Clinical Research: ClinicalTrials.gov ID NCT02751099.


Subject(s)
Hypercalcemia , Hypophosphatemia , Kidney Transplantation , Vascular Calcification , Vitamin D Deficiency , Humans , Cross-Sectional Studies , Bone Remodeling , Vitamin D Deficiency/complications , Biopsy , Vascular Calcification/complications , Bone Density , Parathyroid Hormone
3.
Naunyn Schmiedebergs Arch Pharmacol ; 397(1): 173-187, 2024 01.
Article in English | MEDLINE | ID: mdl-37395795

ABSTRACT

The aim of this work was to compare the anti-inflammatory and antioxidant effects of three natural coumarins: 1,2-benzopyrone, umbelliferone and esculetin. The antioxidant capacity of coumarins was evaluated using both chemical and biological in vitro assays. Chemical assays included DPPH and ABTS∙+ radical scavenging as well as ferric ion reducing ability power (FRAP) assay. Inhibition of mitochondrial ROS generation and lipid peroxidation in brain homogenates were used as biological in vitro assays. The experimental method of carrageenan-induced pleurisy in rats was used for the in vivo investigation of the anti-inflammatory activity. In silico molecular docking analysis was undertaken to predict the affinity of COX-2 to the coumarins. Considering the antioxidant capacity, esculetin was the most efficient one as revealed by all employed assays. Particularly, the mitochondrial ROS generation was totally abolished by the compound at low concentrations (IC50 = 0.57 µM). As for the anti-inflammatory effects, the COX-2 enzyme presented good affinities to the three coumarins, as revealed by the molecular docking analyses. However, considering the in vivo anti-inflammatory effects, 1,2-benzopyrone was the most efficient one in counteracting pleural inflammation and it potentiated the anti-inflammatory actions of dexamethasone. Umbelliferone and esculetin treatments failed to reduce the volume of pleural exudate. Overall, therefore, our results support the notion that this class of plant secondary metabolites displays promising effects in the prevention and/or treatment of inflammation and other diseases associated with oxidative stress, although the singularities regarding the type of the inflammatory process and pharmacokinetics must be taken into account.


Subject(s)
Antioxidants , Coumarins , Rats , Animals , Antioxidants/pharmacology , Antioxidants/therapeutic use , Coumarins/pharmacology , Coumarins/therapeutic use , Reactive Oxygen Species , Cyclooxygenase 2/metabolism , Molecular Docking Simulation , Umbelliferones/pharmacology , Umbelliferones/therapeutic use , Inflammation/chemically induced , Inflammation/drug therapy , Anti-Inflammatory Agents/pharmacology , Anti-Inflammatory Agents/therapeutic use , Plant Extracts/pharmacology
4.
Meat Sci ; 205: 109314, 2023 Nov.
Article in English | MEDLINE | ID: mdl-37607469

ABSTRACT

The effect of different percentages of Duroc genes in crossbreeding (5, 50 and 100%), the gender (immunocastrated males - ICM and females) and their interaction was evaluated on growth, carcass and meat quality traits for pigs. Crossbreds (50% Duroc) had greater average daily feed intake, hot carcass weight and backfat thickness but lower meat yield when compared to 5% Duroc crossbreds and purebred (100% Duroc) animals (P < 0.05). Purebred (100% Duroc) animals had the lowest backfat thickness and subcutaneous fat thickness, and the greatest muscle depth and meat yield (P < 0.05). ICM animals had better feed conversion, greater average daily gain, hot carcass weight and amount of meat, and lower hot carcass yield, cold carcass weight, Longissimus thoracis depth, rib with belly and ham weights compared to females (P < 0.05). Marbling scores were greater in purebred (100%) animals (P < 0.05). The meat from 50% Duroc crossbreds and 100% Duroc purebred pigs was more reddish pink in color than 5% Duroc crossbreds (P < 0.05). Also, marbling scores were greater for females compared to ICM (P < 0.05). Purebred (100% Duroc) animals required more medications during production (P < 0.05).


Subject(s)
Eating , Hybridization, Genetic , Female , Male , Animals , Swine/genetics , Meat , Paraspinal Muscles , Phenotype
5.
Acta Odontol Scand ; 81(1): 40-49, 2023 Jan.
Article in English | MEDLINE | ID: mdl-35694780

ABSTRACT

OBJECTIVE: This study aimed to evaluate whether ligature-induced periodontitis and rheumatoid arthritis (RA) potentiate the deleterious effects on functional capacity, periodontal and synovial tissues, leukocyte migration, and interleukin 17 (IL-17) levels, and to investigate the repercussions of single Freund's Complete Adjuvant (FCA) injection associated with periodontitis. MATERIALS AND METHODS: Fifty-one male Wistar rats were randomised into six groups: control (CG, n = 8), RA (RAG, n = 9), periodontitis (PG, n = 9), periodontitis and RA (PRAG, n = 9), periodontitis and intradermal injection (PIDG, n = 9), and periodontitis and intra-articular injection (PIAG, n = 7). The animals underwent ligature placement and one or two injections with FCA to induce RA. Motor disability, nociceptive threshold, joint edema, and muscle strength were assessed, and the animals were euthanized on day 30. Synovial fluid, hemimandibles, and knee joints were collected. RESULTS: PRAG showed no reduction of edema or improvement of muscle strength, whereas it showed most significant changes in leukocyte migration, morphological analyses of the synovial membrane (SM), and radiographic and histometric analyses of the jaw. The PIAG showed some alterations, though not permanent. CONCLUSION: Ligature-induced periodontitis and RA induced by two FCA injections accentuated the deleterious effects on functional capacity, leukocyte migration, synovial and periodontal tissues.


Subject(s)
Arthritis, Rheumatoid , Periodontitis , Animals , Male , Rats , Arthritis, Rheumatoid/complications , Edema/chemically induced , Leukocytes , Models, Theoretical , Periodontitis/complications , Rats, Wistar , Cell Movement , Interleukin-17
6.
Nanomaterials (Basel) ; 12(9)2022 May 06.
Article in English | MEDLINE | ID: mdl-35564288

ABSTRACT

Endodontic treatment aims to conserve teeth through removing infected tissue, disinfecting, and filling/sealing the root canal. One of the most important treatment steps is the removal of microorganisms to avoid reinfection and consequent tooth loss. Due to increased resistance to intracanal medications, new alternative procedures are needed. Thus, an intracanal medication is suggested using three bioactive glass (BG) compositions (BG1, BG2, and BG3) produced by the sol-gel method, with different molar contents of bactericidal oxides. The BGs were morphologically and physically characterized. Their ability to inhibit the growth of two oral pathogens responsible for the failure of endodontic treatments (E. faecalis and C. albicans) was also studied. The results suggest that BG2 and BG3 can inhibit the growth of E. faecalis after 48 h of incubation, and all BG samples have a significant effect on C. albicans survival.

7.
Transplantation ; 106(5): e251-e261, 2022 05 01.
Article in English | MEDLINE | ID: mdl-35266925

ABSTRACT

BACKGROUND: Posttransplant mineral and bone diseases are causes of fractures, and their association with cardiovascular events is being studied. METHODS: We analyzed the evolution of biochemical, histological, and imaging parameters pre- and 1 y post-renal transplantation in 69 patients and correlated mineral and bone findings with coronary calcifications. At inclusion and after 12 mo, clinical data and echocardiographic findings were recorded, and laboratory evaluations, radiography of the pelvis and hands, and bone biopsy were performed. Noncontrast cardiac computed tomography was performed during the second evaluation. RESULTS: Serum levels of fibroblast growth factor 23 and sclerostin decreased in all patients, parathyroid hormone levels decreased in 89.8% of patients, bone alkaline phosphatase levels decreased in 68.1% of patients, and alpha-Klotho levels increased in 65.2% of patients. More than half of the patients presented with renal osteodystrophy at both biopsies, but histological findings improved: a significant transition from high to normal or low turnover and no significant differences in volume, mineralization defect, or cortical porosity at the 2 evaluations. Alpha-Klotho, sclerostin, and bone alkaline phosphatase shifts affect bone changes. Neither echocardiographic findings nor vascular calcification scores differed between the 2 points. Both the pretransplant period (dialysis vintage, sclerostin, and low bone volume at baseline) and the maintenance of abnormalities in the posttransplant period (high turnover posttransplant) were the most reliable predictors of the severity of the coronary calcification percentile. CONCLUSIONS: Renal transplantation improved bone and mineral abnormalities. The pretransplant period determines the severity of calcification.


Subject(s)
Chronic Kidney Disease-Mineral and Bone Disorder , Kidney Transplantation , Alkaline Phosphatase , Bone Density , Chronic Kidney Disease-Mineral and Bone Disorder/diagnostic imaging , Chronic Kidney Disease-Mineral and Bone Disorder/etiology , Female , Humans , Kidney Transplantation/adverse effects , Male , Minerals , Parathyroid Hormone , Renal Dialysis
8.
Int Urol Nephrol ; 54(8): 2047-2055, 2022 Aug.
Article in English | MEDLINE | ID: mdl-35066779

ABSTRACT

PURPOSE: Cellular mechanisms involved in human renal recovery after an episode of acute kidney injury (AKI) are understudied. We aim to characterize the urinary immune cell phenotype of patients with AKI and evaluate its ability to predict renal recovery. METHODS: A prospective study of critically ill patients with stage ≥ 2 AKI by KDIGO and sterile leukocyturia at admission was performed. Urine samples were collected fresh at day 0 and 2 and samples were analyzed by flow cytometry for different leukocytes. Patients were categorized in renal recovery or no-recovery groups. RESULTS: 28 patients were included, all with sepsis, 60.7% of which recovered renal function. The main urinary leukocytes present were neutrophils, followed by mononuclear phagocytic cells and B cells. Patients who recovered renal function had more M2 macrophages at day 2 (p = 0.043) and less B cells at admission (p = 0.006). M2 macrophages had an AUC-ROC of 0.796 (0.601-0.990) for recovery prediction and B cells an AUC-ROC of 0.743 (0.560-0.926) for no recovery. B regulatory cells were found in the urine of AKI patients. CONCLUSIONS: The urinary immune cell phenotype of severe AKI patients was composed essentially of neutrophils, mononuclear phagocytic cells and B cells. Our data suggest that M2 macrophages may promote and B cells preclude renal recovery. More studies are needed to validate our results and further explore the role of immune cells in renal recovery.


Subject(s)
Acute Kidney Injury , Sepsis , Acute Kidney Injury/urine , Biomarkers/urine , Critical Illness , Humans , Phenotype , Prospective Studies
9.
Calcif Tissue Int ; 110(2): 215-224, 2022 02.
Article in English | MEDLINE | ID: mdl-34477944

ABSTRACT

Chronic kidney disease-mineral and bone disorder has been associated with increasing morbid-mortality. The aim of this study was to determine the prevalence and phenotype of bone disease before transplantation and to correlate FGF23 and sclerostin levels with bone histomorphometry, and study possible associations between FGF23, sclerostin, and bone histomorphometry with cardiovascular disease and mortality. We performed a cross-sectional cohort study of a sample of 84 patients submitted to renal transplant, which were prospectively followed for 12 months. Demographic, clinical, and echocardiographic data were collected, laboratory evaluation, bone biopsy, and X-ray of the pelvis and hands were performed. Patient and graft survival were recorded. We diagnosed low bone turnover in 16 patients (19.5%); high bone turnover in 22 patients (26.8%); osteomalacia in 1 patient (1.2%), and mixed renal osteodystrophy in 3 patients (3.7%). At the end of 12 months, 5 patients had graft failure (5.9%), 4 had a cardiovascular event (4.8%), and 4 died. Age was associated with low remodeling disease, whereas high BALP and phosphorus and low sclerostin with high turnover disease. Sclerostin was a risk factor for isolated low bone volume. High BALP, low phosphorus, and low FGF23 were risk factors for abnormal mineralization. FGF23 appears as an independent factor for severity of vascular calcifications and for cardiovascular events, whereas the presence of valve calcifications was associated with low volume and with turnover deviations. Sclerostin was associated a higher HR for death. Sclerostin and FGF23 seemed to provide higher cardiovascular risk, as well as low bone volume, which associated with extra-osseous calcifications.


Subject(s)
Adaptor Proteins, Signal Transducing/metabolism , Bone Density , Fibroblast Growth Factor-23/metabolism , Renal Insufficiency, Chronic , Calcinosis , Cohort Studies , Cross-Sectional Studies , Genetic Markers , Humans , Renal Insufficiency, Chronic/mortality
10.
Oncotarget ; 12(24): 2388-2403, 2021 Nov 23.
Article in English | MEDLINE | ID: mdl-34853660

ABSTRACT

Neutrophils are prominent immune components of tumors, having either anti-tumor (N1) or pro-tumor activity (N2). Circulating neutrophils, divided into high density neutrophils (HDN) and low density neutrophils (LDN), functionally mirror those N1 and N2 cells, respectively. LDN are rare in non-pathological conditions, but frequent in cancer, exhibiting a pro-tumor phenotype. These findings have been mainly demonstrated in animal models, thus proper validation in humans is still imperative. Here, we observed that LDN were increased in the blood of breast cancer (BC) patients, particularly with metastatic disease. Within the population of non-metastatic patients, LDN were more prevalent in patients with poor response to neoadjuvant chemotherapy than patients with a good response. The higher incidence of LDN in BC patients with severe disease or resistance to treatment can be explained by their pro-tumor/immunosuppressive characteristics. Moreover, the percentage of LDN in BC patients' blood was negatively correlated with activated cytotoxic T lymphocytes and positively correlated with immunosuppressive regulatory T cells. The ability of LDN to spoil anti-tumor immune responses was further demonstrated ex vivo. Hence, this study reveals the potential of LDN as a biomarker of BC response to treatment and opens new avenues for developing new immunotherapies.

11.
Transpl Int ; 34(6): 1065-1073, 2021 06.
Article in English | MEDLINE | ID: mdl-33909300

ABSTRACT

Bone loss leads to increase risk of fractures in renal transplantation. The aim of this study was to analyse the relationship between bone densitometry (DXA) findings, bone histomorphometry and bone-related molecules 1-year after renal transplantation. We performed a cross-sectional study of de novo renal transplanted patients that agreed to perform a bone biopsy and a DXA examination 1 year after transplantation. All patients underwent a laboratory evaluation, bone biopsy, DXA examination and cardiac CT 1 year after transplantation. 67 patients were included, 16 had a normal examination, and 18 patients were classified as having osteoporosis by DXA. Correlations between bone mineral density and T-scores of total femur and femoral neck were the ones that best correlated with bone volume assessed by a bone biopsy. The sensitivity of DXA for osteoporosis diagnosis was 47.0%, and the specificity was 81.2%. The positive predictive value was 50.0%, and the negative predictive value (NPV) was 80.0%. DXA parameters also correlated with klotho and sclerostin serum levels. In this population, a normal examination excluded the presence of osteoporosis, helping in identifying patients that would not benefit from therapy. Overall, densitometry in total femur and femoral neck correlated well with bone volume measured by bone biopsy.


Subject(s)
Kidney Transplantation , Absorptiometry, Photon , Bone Density , Cross-Sectional Studies , Femur Neck/diagnostic imaging , Humans , Kidney Transplantation/adverse effects
12.
J Chromatogr A ; 1621: 461047, 2020 Jun 21.
Article in English | MEDLINE | ID: mdl-32197757

ABSTRACT

The extracellular vesicles (EVs) released by plant pathogens of the Pectobacterium genus were investigated. The isolates were obtained using differential centrifugation followed by filtration and were characterized in terms of total protein content and particle size distribution. The transmission electron microscopy (TEM) analysis revealed the presence of two morphologically differentiated subpopulations of vesicles in the obtained isolates. The proteomic analysis using matrix-assisted laser desorption ionization mass spectrometry with time of flight detector (MALDI-TOF/TOF-MS) enabled to identify 62 proteomic markers commonly found in EVs of Gram-negative rods from the Enterobacteriaceae family. Capillary electrophoresis (CE) was proposed as a novel tool for the characterization of EVs. The method allowed for automated and fast (<15 min per sample) separation of vesicles from macromolecular aggregates with low sample consumption (about 10 nL per analysis). The approach required simple background electrolyte (BGE) composed of 50 mM BTP and 75 mM glycine (pH 9.5) and standard UV detection. The report presents a new opportunity for quality control of samples containing EVs.


Subject(s)
Electrophoresis, Capillary/methods , Extracellular Vesicles/chemistry , Pectobacterium/chemistry , Pectobacterium/ultrastructure , Biomarkers/analysis , Extracellular Vesicles/ultrastructure , Proteomics , Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization
13.
Anal Chim Acta ; 1047: 248-256, 2019 Jan 24.
Article in English | MEDLINE | ID: mdl-30567657

ABSTRACT

Capillary zone electrophoresis (CZE) of gold nanoparticles (Au NPs) was investigated in terms of dispersion stability during the analysis process. It was shown that CZE of Au NPs can be performed under dynamic coating conditions depending on the background electrolyte (BGE) composition. The influence of both the co-ion and counter-ion in the BGE was evaluated. It was proven that the application of relatively large buffering counter-ions provides steric stability to NPs during CZE. Among the investigated co-ions, citrate and MOPS were found to be advantageous for the CZE of Au NPs. On the other hand, the presence of zwitterionic substances and multiply charged counter-ions in BGE was shown to promote the aggregation and adsorption of the NPs to the capillary wall. A correlation between the particle stability in CZE and isotachophoresis (ITP) performance was observed and discussed. A sensitivity improvement by two orders of magnitude was achieved using the developed ITP methods.

14.
Oncotarget ; 9(25): 17455-17465, 2018 Apr 03.
Article in English | MEDLINE | ID: mdl-29707120

ABSTRACT

Parkinson's Disease is the second most common neurodegenerative disorder, affecting 1-2% of the elderly population. Its diagnosis is still based on the identification of motor symptoms when a considerable number of dopaminergic neurons are already lost. The development of translatable biomarkers for accurate diagnosis at the earliest stages of PD is of extreme interest. Several microRNAs have been associated with PD pathophysiology. Consequently, microRNAs are emerging as potential biomarkers, especially due to their presence in Cerebrospinal Fluid and peripheral circulation. This study employed small RNA sequencing, protein binding ligand assays and machine learning in a cross-sectional cohort comprising 40 early stage PD patients and 40 well-matched controls. We identified a panel comprising 5 microRNAs (Let-7f-5p, miR-27a-3p, miR-125a-5p, miR-151a-3p and miR-423-5p), with 90% sensitivity, 80% specificity and 82% area under the curve (AUC) for the differentiation of the cohorts. Moreover, we combined miRNA profiles with hallmark-proteins of PD and identified a panel (miR-10b-5p, miR-22-3p, miR-151a-3p and α-synuclein) reaching 97% sensitivity, 90% specificity and 96% AUC. We performed a gene ontology analysis for the genes targeted by the microRNAs present in each panel and showed the likely association of the models with pathways involved in PD pathogenesis.

15.
An Acad Bras Cienc ; 88(3): 1501-9, 2016 Sep.
Article in English | MEDLINE | ID: mdl-27556226

ABSTRACT

Staphylococcus aureus can cause a variety of infections due to its high transmissibility, high pathogenic potential and resistance to multiple drugs, factors that contribute to the relevance of infections in healthcare services. The aim of this study was to document phenotypic and genotypic resistance factors of Staphylococcus aureus strains, isolated from nasal mucosa of medical students. A nasal swab was collected from the nares (nostrils) of 222 medical students. After collection, the samples were submitted to isolation and identification procedures. From 204 valid samples, 20.6% (42 samples) were positive for S. aureus. For the assessment of phenotypic resistance by disk-diffusion technique, from 42 samples, 95.2% showed resistance to erythromycin, 42.8% to clindamycin, 16.6% to cephoxitin and 9.5% to oxacillin. The D test showed that 26.2% of samples were resistant to macrolides, lincosamides and streptogramin B. A PCR assay allowed for the evaluation of a genotypic resistance profile, in which 16.6% of the samples were positive for the mecA gene, 35.7% positive for the ermC gene or ermA gene and 28.5% were positive for both genes. These results demonstrate that medical students can enter the healthcare service previously colonized by multidrug resistant strains and become potential spreaders in the hospital environment.


Subject(s)
Carrier State/microbiology , Drug Resistance, Bacterial , Nose/microbiology , Staphylococcus aureus/isolation & purification , Students, Medical , Anti-Bacterial Agents/pharmacology , Humans , Lincosamides/pharmacology , Microbial Sensitivity Tests , Staphylococcus aureus/drug effects , Streptogramin B/pharmacology
16.
J Phys Chem B ; 119(8): 3567-76, 2015 Feb 26.
Article in English | MEDLINE | ID: mdl-25621618

ABSTRACT

Poly(acrylamidoxime) adsorbents are often invoked in discussions of mining uranium from seawater. While the amidoxime-uranyl chelation mode has been established, a number of essential binding constants remain unclear. This is largely due to the wide range of conflicting pK(a) values that have been reported for the amidoxime functional group. To resolve this existing controversy we investigated the pK(a) values of the amidoxime functional group using a combination of experimental and computational methods. Experimentally, we used spectroscopic titrations to measure the pK(a) values of representative amidoximes, acetamidoxime, and benzamidoxime. Computationally, we report on the performance of several protocols for predicting the pK(a) values of aqueous oxoacids. Calculations carried out at the MP2 or M06-2X levels of theory combined with solvent effects calculated using the SMD model provide the best overall performance, with a root-mean-square deviation of 0.46 pK(a) units and 0.45 pK(a) units, respectively. Finally, we employ our two best methods to predict the pK(a) values of promising, uncharacterized amidoxime ligands, which provides a convenient means for screening suitable amidoxime monomers for future generations of poly(acrylamidoxime) adsorbents.

17.
Cien Saude Colet ; 18(3): 645-55, 2013 Mar.
Article in Portuguese | MEDLINE | ID: mdl-23546191

ABSTRACT

This article seeks to identify the perception of risk among police officers in the State of Rio de Janeiro based on their areas of operation: Capital, Interior and Baixada Fluminense (BF), by analyzing comparative victimization. It is a transversal study using the triangulation method. The quantitative research investigated 533 police officers in the Capital, 159 in the Interior and 222 in the BF; the qualitative approach included interviews with 17 police chiefs and 15 focus groups in the three areas. The results indicate that risk perceptions of officers, and the strategies used to minimize them are characteristics that unite them. Despite its universal nature, risk has differentiated gradations in relation to function and territory of operation. In the Capital there is greater exposure to the risk of confrontation with criminals, less respect for the police from the population, though there is greater operational support from the corporation. Contrary to perception, victimization is related to the territory: 67.8% of police officers were victimized in the Capital last year; 13.7% in the Interior; and 9.7% in the BF. The expectation is that the analyses will provide input for management of technical support and health assistance for police officers, considering the specificities of work in the different areas.


Subject(s)
Attitude , Crime Victims/statistics & numerical data , Police , Brazil , Cross-Sectional Studies , Humans , Risk , Risk Assessment
18.
Cien Saude Colet ; 18(3): 667-76, 2013 Mar.
Article in Portuguese | MEDLINE | ID: mdl-23546193

ABSTRACT

The consumption of psychoactive substances by civil and military police of the city of Rio de Janeiro was investigated. Data was gathered from two cross-sectional studies on a questionnaire on work and health conditions given to a sample from the two corporations. The results show higher frequencies of regular consumption of tobacco (23.3% by civil police and 19.1% by military police), daily use of alcohol (12% by civil police and 11% by military police) and tranquilizers in the past year (13.3% by civil police and 10.1% by military police). The consumption of marijuana among officers was 0.1% by civil police and 1.1% by military police, and cocaine use among the military police was 1.1%. Alcohol consumption proved to be intense and causes problems at work and in the social and family relationships of these officers. The need for preventive policies for addiction and the possible underestimation of information on illicit substances is emphasized.


Subject(s)
Military Personnel , Police , Substance-Related Disorders/epidemiology , Adult , Cross-Sectional Studies , Female , Humans , Male , Middle Aged
19.
Ciênc. Saúde Colet. (Impr.) ; 18(3): 645-655, Mar. 2013. tab
Article in Portuguese | LILACS | ID: lil-669690

ABSTRACT

Objetiva-se identificar a percepção de risco dos policiais civis do Estado do Rio de Janeiro a partir de suas áreas de atuação: Capital, Interior e Baixada Fluminense, analisando de forma comparativa a vitimização desses policiais. Trata-se de um estudo transversal que usou a triangulação de métodos. A pesquisa quantitativa investigou 533 policiais na Capital; 159 no Interior e 222 na Baixada Fluminense; a abordagem qualitativa contou com 17 entrevistas com delegados e 15 grupos focais nas três áreas. Os resultados indicam que as percepções de risco dos policiais e as estratégias que usam para minimizá-los são características que os unem. Apesar do seu caráter universal o risco ganha gradientes diferenciados em relação à função e ao território de atuação. Na Capital estão mais expostos ao risco pelo maior confronto com a criminalidade, menor valorização do policial pela população, mas por outro lado, nessa área existe maior apoio operacional da corporação. Ao contrário da percepção, a vitimização está relacionada ao território de ação: 67,8% dos policiais da Capital, 13,7% da Baixada e 9,7% do Interior foram vitimizados no último ano. Espera-se que as análises subsidiem a gestão para o apoio técnico e a assistência à saúde dos policiais, considerando as especificidades do trabalho nos diversos territórios.


This article seeks to identify the perception of risk among police officers in the State of Rio de Janeiro based on their areas of operation: Capital, Interior and Baixada Fluminense (BF), by analyzing comparative victimization. It is a transversal study using the triangulation method. The quantitative research investigated 533 police officers in the Capital, 159 in the Interior and 222 in the BF; the qualitative approach included interviews with 17 police chiefs and 15 focus groups in the three areas. The results indicate that risk perceptions of officers, and the strategies used to minimize them are characteristics that unite them. Despite its universal nature, risk has differentiated gradations in relation to function and territory of operation. In the Capital there is greater exposure to the risk of confrontation with criminals, less respect for the police from the population, though there is greater operational support from the corporation. Contrary to perception, victimization is related to the territory: 67.8% of police officers were victimized in the Capital last year; 13.7% in the Interior; and 9.7% in the BF. The expectation is that the analyses will provide input for management of technical support and health assistance for police officers, considering the specificities of work in the different areas.


Subject(s)
Humans , Attitude , Crime Victims/statistics & numerical data , Police , Brazil , Cross-Sectional Studies , Risk , Risk Assessment
20.
Ciênc. Saúde Colet. (Impr.) ; 18(3): 667-676, Mar. 2013. tab
Article in Portuguese | LILACS | ID: lil-669692

ABSTRACT

Investiga-se o consumo de substâncias psicoativas entre policiais civis e militares da cidade do Rio de Janeiro. Os dados provêm de dois estudos seccionais sobre condições de trabalho e saúde que aplicaram questionário a amostra representativa das duas corporações. Os resultados mostram maiores frequências de consumo regular de tabaco (23,3% dos civis versus 19,1% dos militares), de uso diário de bebida alcoólica (12% dos civis versus 11% dos militares) e de tranquilizantes no último ano (13,3% dos civis e 10,1% dos militares). O consumo de maconha envolveu 0,1% dos policiais civis e 1,1% dos militares, e o uso de cocaína entre os militares foi de 1,1%. O consumo de álcool apresentou-se intenso e acarretando problemas no trabalho e nas relações sociais e familiares destes policiais. Ressalta-se a necessidade de políticas públicas preventivas às adicções e a possível subestimação das informações sobre as substâncias ilícitas.


The consumption of psychoactive substances by civil and military police of the city of Rio de Janeiro was investigated. Data was gathered from two cross-sectional studies on a questionnaire on work and health conditions given to a sample from the two corporations. The results show higher frequencies of regular consumption of tobacco (23.3% by civil police and 19.1% by military police), daily use of alcohol (12% by civil police and 11% by military police) and tranquilizers in the past year (13.3% by civil police and 10.1% by military police). The consumption of marijuana among officers was 0.1% by civil police and 1.1% by military police, and cocaine use among the military police was 1.1%. Alcohol consumption proved to be intense and causes problems at work and in the social and family relationships of these officers. The need for preventive policies for addiction and the possible underestimation of information on illicit substances is emphasized.


Subject(s)
Adult , Female , Humans , Male , Middle Aged , Military Personnel , Police , Substance-Related Disorders/epidemiology , Cross-Sectional Studies
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