Abstract Background Bipolar disorder confers the highest risk of suicide among major psychological disorders. The risk factors associated with bipolar disorder and suicide exist and are relevant to ...clinicians and researchers. Objective The aim of the present study was to conduct a systematic review of articles regarding the suicide risk factors in bipolar disorder. Methods A systematic review of articles on suicide risk factors in bipolar disorder, published from January 1, 2010 to April 05, 2014, on SCOPUS and PUBMED databases was carried out. Search terms were “Suicide” (medical subject headings MeSH), “Risk factors” (MeSH), and “Bipolar” (keyword). Of the 220 retrieved studies, 42 met the eligibility criteria. Results Bipolar disorder is associated with an increased rate death by suicide which contributes to overall mortality rates. Studies covered a wide range of aspects regarding suicide risk factors in bipolar disorder, such as risk factors associated to Sociodemographic conditions, Biological characteristics, Drugs Relationships, Psychological Factors, Genetic Compound, Religious and Spirituals conditions. Recent scientific literature regarding the suicide risk factors in bipolar disorder converge to, directly or indirectly, highlight the negative impacts of risk factors to the affected population quality of life. Conclusion This review demonstrated that Bipolar disorders commonly leads to other psychiatric disorders and co-morbidities involving risk of suicide. Thus the risk factors are relevant to have a better diagnosis and prognosis of BD cases involving risk of suicide.
•Corrosion inhibition of carbon steel and of copper by the amino acids was studied.•Inhibition efficiencies were experimentally achieved by electrochemical impedance.•DFT and Monte Carlo methods ...allowed correlating molecular properties with inhibition efficiency.•The corrosion inhibition followed the electron donation the electron-back donations process.
Six amino acids were evaluated as corrosion inhibitors for carbon steel and copper in 0.5molL−1H2SO4 solution by potentiodynamic polarization and electrochemical impedance techniques allied to Density Functional Theory (DFT) and Monte Carlo computations The corrosion inhibitor rankings were: Arg>Gln>Asn>Met>Cys>Ser, for copper, and Met >Cys >Ser >Arg>Gln>Asn, for carbon steel. The DFT approach failed to explain the corrosion inhibition rating based on the HOMO and LUMO energies of the isolated amino acid molecules, while the simpler classical Monte Carlo approach, performed considering the interaction energies between the corrosion inhibitor and the metallic substrate, was successful.
Width effects on bilayer graphene nanoribbon polarons Logrado, André Lima; Cassiano, Tiago de Sousa Araújo; da Cunha, Wiliam Ferreira ...
Physical chemistry chemical physics : PCCP,
05/2024, Letnik:
26, Številka:
2
Journal Article
Recenzirano
Recent progress in nanoelectronics suggests that stacking armchair graphene nanoribbons (AGNRs) into bilayer systems can generate materials with emergent quasiparticle properties. In this context, ...the impact of width changes is especially relevant. However, its effect on charged carriers remains elusive. In this work, we investigate the effect of width and interlayer interaction changes on polaron states
via
a hybrid Hamiltonian that couples the electronic and lattice interactions. Results show the rising of two interlayer polarons: the non-symmetric and the symmetric. The coupling strength needed to induce the transition between states depends on the nanoribbon width, being at the most extreme case of 174 meV. Electronic properties such as the coupling strength threshold, carrier size, and gap are shown to respect the AGNR width family 3
p
, 3
p
+ 1, and 3
p
+ 2 rule. The findings demonstrate that strong interlayer interaction simultaneously delocalizes the carriers and reduces the gap up to 0.6 eV. Additionally, it is found that some layers are more prone to share charge, indicating a potential heterogeneous stacking where a particular electronic pathway is favored. The results present an encouraging prospect for integrating AGNR bilayers in future flexible electronics.
The work reports the width effects on the formation of interlayer polarons on graphene nanoribbon bilayers. Their properties greatly depend on the width extension. The 3
p
and 3
p
+ 1 family grouping is recovered for the polaron states.
The methanol crossover effect severely reduces the efficiency of
d
irect
m
ethanol
f
uel
c
ells once it affects the
o
xygen
r
eduction
r
eaction (ORR) that occurs in the cathode. Hence, methanol ...dilution has to be carried out to overcome this drawback. However, when methanol is employed as the fuel, its concentration is highly important to improve the performance of these electrochemical devices. Thus, although still very challenging, the rational design of efficient electrocatalysts for such systems via an ORR mechanism is vital. To this end, we reported the synthesis of AgPt nanotubes (1.0 wt% Pt) by a galvanic replacement approach using Ag nanowires as sacrificial templates, which were successfully immobilized on commercial silica. We demonstrated that such hollow AgPt-based material could be employed as a highly selective electrocatalyst, which promoted the system's targeting for the ORR reaction, an essential pathway for renewable energy issues built on fuel cells. Our results were achieved in highly concentrated methanol solutions (up to 7.5 M), which was impossible with the commercial 20 wt% Pt on Vulcan XC-72R (E-TEK). Using theoretical calculations, we showed that Ag atoms were essential to avoid the poisoning as the reactions were less favorable to occur on its surface; then, the random configuration of AgPt nanotubes was crucial for the remarkable selectivity of the system, explaining the high performance of the electrocatalyst due to the synergistic effects between Ag and Pt in the AgPt/SiO
2
electrocatalyst.
Graphical abstract
Abstract Statement of problem The internal and marginal adaptation of a computer-aided design and computer-aided manufacturing (CAD-CAM) prosthesis relies on the quality of the 3-dimensional image. ...The quality of imaging systems requires evaluation. Purpose The purpose of this in vitro study was to evaluate and compare the trueness of intraoral and extraoral scanners in scanning-prepared teeth. Material and methods Ten acrylic resin teeth to be used as a reference dataset were prepared according to standard guidelines and scanned with an industrial computed tomography system. Data were acquired with 4 scanner devices (n=10): the Trios intraoral scanner (TIS), the D250 extraoral scanner (DES), the Cerec Bluecam intraoral scanner (CBIS), and the Cerec InEosX5 extraoral scanner (CIES). For intraoral scanners, each tooth was digitized individually. Extraoral scanning was obtained from dental casts of each prepared tooth. The discrepancy between each scan and its respective reference model was obtained by deviation analysis (μm) and volume/area difference (μm). Statistical analysis was performed using linear models for repeated measurement factors test and 1-way ANOVA (α=.05). Results No significant differences in deviation values were found among scanners. For CBIS and CIES, the deviation was significantly higher ( P <.05) for occlusal and cervical surfaces. With regard to volume differences, no statistically significant differences were found (TIS=340 ±230 μm; DES=380 ±360 μm; CBIS=780 ±770 μm; CIES=340 ±300 μm). Conclusions Intraoral and extraoral scanners showed similar trueness in scanning-prepared teeth. Higher discrepancies are expected to occur in the cervical region and on the occlusal surface.
Abstract Background Genetic factors may encourage or even cause the occurrence of mood disorders such as anxiety and/or depression. However, despite the significant amount of work and sophisticated ...technology is not fully elucidated which genes or regions of nuclear or mitochondrial DNA, or which types of genetic changes, alone or in combination, can represent reliable genetic markers of anxiety and/or depression. Objective To identify whether there are genetic changes that can cause depression or anxiety and if there are genetic markers that can be used to detect these changes. Methods A systematic review of 01.01.2004 to 03.28.2014 was held by VHL (Virtual Health Library). The search was performed with the descriptors ׳׳anxiety׳׳, ׳׳depression׳׳, “mutation” and “genetic markers׳׳. The selected articles were indexed in MEDLINE. The information pertinent to the study was selected, categorized and analyzed. Of the 374 articles found, 29 met the eligibility criteria. Results FMR1 gene polymorphisms, dopaminergic (DAT, DRD, COMT), serotonin (5-HTTLPR, HTR1A, HTR2A), interleukins, MCR1, HCN (potassium channel), neurorregulinas, GABAergic (GABA, GAD, DBI) DBI, GABA (Gabra) receptors and GAD genes (GAD1, GAD2) appear to contribute to generate condition of depression or anxiety like. Mutations in mitochondrial DNA in 124pb allele of D2S2944 in ofil 1 and 2 loci of chromosomes 4 and 7, respectively, and the chromosomes 8p, 17p and 15q appear to be associated with the origin of depression or anxiety. Conclusion Some studies show only associations with one of the disorders, mainly anxiety. Few have shown association with both simultaneously. Other studies showed specific association of gender, or even specific ethnic groups. It was noticed, controversies over certain markers. Interesting results were observed in combination of changes, especially in cases of SNPs, indicating that perhaps this is the most appropriate way to find reliable markers.
Human papillomavirus (HPV) has been implicated as a major factor in cervical carcinogenesis. However, many pieces of evidence gathered over the last two decades suggest Epstein-Barr virus (EBV) plays ...a secondary role in this process. The purpose of the present meta-analysis was to determine whether the presence of EBV infection increases the risk of cervical carcinoma.
Based on 25 articles, the analysis yielded a 33.44% overall pooled prevalence of EBV.
The pooled prevalence was higher in patients with carcinoma (43.63%) than in healthy patients (19.0%) or patients with cervical intraepithelial neoplasia 1 (CIN1) (27.34%) or CIN2/3 (34.67%). Co-infection with EBV and HPV displayed a similar pattern. EBV infection was significantly and positively associated with lesion grade in cervical epithelia and was more prevalent in malignant lesions. Moreover, cervical carcinoma occurred four times as often among EBV positive women as in women without EBV infection (OR=4.01 1.87–8.58; p<0.001).
The existence of EBV(+)HPV(−) carcinomas, the confirmed expression of latent oncoproteins (EBNA1, EBNA2, LMP1) and EBERs in tumor cells, and the association of EBV with the integration of high-risk-HPV DNA in malignant specimens point to EBV as a co-factor (so far underestimated) in the genesis and/or progression of cervical carcinoma. However, further studies are necessary before the link between EBV and cervical carcinoma can be established.
•Cervical carcinoma was found four times more often in EBV positive patients.•The pooled prevalence of EBV is positively associated with cervical lesion grade.•EBV/HPV co-infection increases the risk of cervical cancer.
Fish farming is a worldwide growing activity and a large amount of residues is produced in this process. The present work describes a cleaner and sustainable way to produce new lubricants from fish ...waste oil. Oil extracted from the Nile tilapia (Oreochromis niloticus) viscera was utilized as raw material to produce basic oil for lubricants. The products were synthesized by esterification with polyols, trimethylolpropane (TMP) and pentaerythritol (PE), using p‐toluenesulfonic acid (p‐TSA) as catalyst. The synthesized esters were characterized by infrared (IR) and nuclear magnetic resonance (NMR). Computational methods were used to predict the physical characteristics of the material. In addition, the main physicochemical properties were evaluated, as well as the thermal behavior and toxicity of the products against Artemia salina. The synthesized esters showed high viscosity indexes (VI > 150) and viscosities that fit the degree of application ISO‐46 and 150. Molecular dynamics simulations indicated that at room temperature the lubricants Tilapia fatty acid ‐ trimethylolpropane ester (T‐TMPE) and Tilapia fatty acid ‐ pentaerythritol ester (T‐PEE) are in liquid and gel states, respectively, confirming the experimental data. The products did not present toxicity against A. salina. In this research, we reinforce the potential of using tilapia oil from waste to produce green lubricants as a strategy to reduce damage to the environment, as well as the use of computational methods that collaborate to predict physical properties of lubricants.
The development of inclusion complexes is used to encapsulate nonpolar compounds and improve their physicochemical characteristics. This study aims to develop complexes made up of
Mart oil (EOO) and ...β-cyclodextrin (β-CD) or hydroxypropyl-β-cyclodextrin (HP-β-CD) by either kneading (KND) or slurry (SL). Complexes were analyzed by molecular modeling, Fourier-transform infrared spectroscopy, scanning electron microscopy, powder X-ray diffraction, thermogravimetry analysis and differential scanning calorimetry. The antibacterial activity was expressed as Minimum Inhibitory Concentration (MIC), and the antibiotic resistance modulatory activity as subinhibitory concentration (MIC/8) against
,
,
and
. Inclusion complexes with β-CD and HP-β-CD were confirmed, and efficiency was proven by an interaction energy between oleic acid and β-CD of -41.28 ± 0.57 kJ/mol. MIC values revealed higher antibacterial activity of complexes compared to the isolated oil. The modulatory response of EOO and EOO-β-CD prepared by KND as well as of EOO-β-CD and EOO-HP-β-CD prepared by SL showed a synergistic effect with ampicillin against
, whereas it was not significant with the other drugs tested, maintaining the biological response of antibiotics. The antimicrobial response exhibited by the complexes is of great significance because it subsidizes studies for the development of new pharmaceutical forms.
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Thiazol and thiazolidinedione derivatives are known in the literature for presenting several biological activities, such as anti-diabetic, anti-inflammatory, antiparasitic, antifungal ...and antimicrobial activity. With this in mind, this study reports on the synthesis and antibacterial activity of thiazole (NJ) and thiazolidinedione (NW) derivatives, as well as their effects in association with norfloxacin, against NorA efflux pumps in the Staphylococcus aureus 1199B (SA-1199B) strain. Among the 14 compounds evaluated, 9 were found to potentiate norfloxacin activity, with 4 compounds from the NJ series promoting a threefold norfloxacin MIC reduction. Molecular docking assays were used to confirm the binding mode of most active compounds. In the in silico study, the efficiency of the interaction of NJ series compounds with the NorA pump were evaluated. Derivatives from both series did not show considerable intrinsic antibacterial activity (MIC > 1024 μg/mL) against any of the tested strains. However, the NJ16 and NJ17 compounds, when associated with norfloxacin, reduced the MIC of this drug threefold and inhibited NorA pumps in the 1199B strain. Moreover, some NW (05, 10, 18, 19 and 21) and NJ compounds (16, 17, 18 and 20) presented low to moderate cytotoxicity against normal cells. Molecular docking studies supported the potent in vitro inhibitory activity of NJ16 and NJ17, which showed NJ16 and NJ17 possessed more favorable binding energies of −9.03 Kcal/mol and −9.34 Kcal/mol, respectively. In addition, NJ16 showed different types of interactions involved in complex stabilization. In conclusion, NJ16 and NJ17, in combination with norfloxacin, were able to completely restore the antibacterial activity of norfloxacin against S. aureus SA-1199B, the norA-overexpressing strain, with low cytotoxicity in normal cells.
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