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The objective of this study is to assess the prevalence and risk factors for attention-deficit hyperactivity disorder (ADHD) in a large cohort of patients with congenital heart disease (CHD). Patients (n = 695) with CHD who were aged 6–15 years and visited the outpatient clinics in our hospital from June 2015 to May 2017 were enrolled. Their medical records were collected, and the Chinese version of the Swanson, Nolan, and Pelham rating scale (SNAP-IVc) and a questionnaire about neuropsychiatric care-seeking behavior were completed by parents and counselors. Of the 695 patients, the overall prevalence of ADHD was 12.4%, including 3.2% for the combined subtype, 6.8% for the inattentive-predominant subtype, and 2.4% for the hyperactivity/impulsive-predominant subtype. Only the inattention-predominant subtype was significantly more prevalent than in the general population. The prevalence of the inattention-predominant subtype was highest in the patients with cyanotic CHD, high severity index, and in those who had received surgery or cardiopulmonary bypass. Multivariate regression analysis indicated that the risk factors for inattention-related symptoms included postoperative seizure and previous cardiopulmonary bypass (odds ratio: 3.22 and 3.82; P = 0.027 and

Objective Determine the COVID-19 seroconversion rate for patients with multiple myeloma receiving a COVID-19 vaccine. Materials and Methods After 45 patients received their second COVID-19 vaccine dose, their serum IgG antibodies were measured: 22 with monoclonal gammopathy (MG) of unknown significance, 3 with smoldering myeloma, 2 with light chain amyloidosis, and 18 with MG (9 in remission, 6 out of remission, and 3 with free light-chain gammopathy alone). A second serum specimen was retained for 16 patients with MG. Their antibody levels were compared to those of 78 uninfected healthy vaccinated control patients. Results Three patients with MG had low antibody levels on blood collected 98, 100, and 113 days after the initial vaccine dose (2 with MG of unknown significance and 1 with hypogammaglobulemia). The other 40 patients with MG (seroconversion rate 93%) and both patients with amyloidosis produced antibodies. Relative to days after vaccination, patients with MG had lower antibody levels than control patients. Conclusion After receiving a COVID-19 vaccine, most patients with MG produce anti-SARS-CoV-2 antibodies comparable to levels in uninfected vaccinated healthy control patients.

OBJECTIVE The objective of this study was to examine patterns of changes in emotional and behavioral problems among children with congenital heart disease (CHD) and investigate associated factors in different domains. METHOD The study sample comprised 327 pairs of children with CHD (aged 1.5-12 yrs) and their parents who participated in 2 waves of a survey in Taiwan from 2017 to 2019. The Child Behavior Checklist was used to evaluate the children's emotional and behavioral problems during both waves. The scores were later used to determine the patterns of changes in emotional and behavioral problems. Multinomial logistic regression was then applied to examine factors associated with varied patterns of changes in emotional and behavioral problems. RESULTS Five patterns of changes in emotional and behavioral problems were identified: "persistent normal," "initial problematic," "worsening," "persistent problematic," and "subclinical." Among the factors examined, parenting stress was consistently associated with different patterns of change in emotional and behavioral problems. Specifically, children with parents who had higher levels of parenting stress were more likely to belong to the "initial problematic," "persistent problematic," or "subclinical" groups than to the "persistent normal" group. Other significant factors included sex, number of surgeries, and perceived health of parents. CONCLUSION This study highlights the potential role of parenting stress in changes in emotional and behavioral problems. Accordingly, intervention programs aimed at relieving parenting stress may help reduce the development and worsening of emotional and behavioral problems among children with CHD.

Background Cyanotic congenital heart disease (CHD) has detrimental effects on behavioral function in children and adolescents. However, few study authors have examined the underlying mechanisms of these effects. Objective The aims of this study were to investigate the mediating effects of parenting stress in the association between cyanotic CHD and externalizing problems and to explore whether age moderated these mediating effects. Methods A total of 697 children and adolescents (aged 2-17 years) with CHD (252 with cyanotic CHD and 445 with acyanotic CHD) in Taiwan were enrolled. The Child Behavior Checklist and the Parenting Stress Index were used to assess externalizing problems and parenting stress, respectively. Mediation analysis was performed to determine the mediating effects of parenting stress in the association between cyanotic CHD and externalizing problems. A moderated mediation model was used to investigate the moderating effect of age on the observed mediating effects. Results Parenting stress significantly mediated the relationship between cyanotic CHD and externalizing problems (unstandardized coefficient B = 0.98; 95% bootstrap confidence interval, 0.23-1.78). Children's age further moderated the mediating effects, with greater effects in older children. Age also moderated the association between cyanotic CHD and parenting stress, such that the effects were only significant in children older than 5.7 years. Conclusions Our study revealed that age affected the mediating effects of parenting stress in the relationship between cyanotic CHD and externalizing problems. Efforts to reduce externalizing problems in children and adolescents with cyanotic CHD by targeting parenting stress may be more effective when age differences are considered.

Microplastics (MPs) pollution has become a serious environmental issue worldwide, but its potential effects on health remain unknown. The administration of polystyrene MPs (PS-MPs) to mice for eight weeks impaired learning and memory behavior. PS-MPs were detected in the brain especially in the hippocampus of these mice. Concurrently, the hippocampus had decreased levels of immediate-early genes, aberrantly enhanced synaptic glutamate AMPA receptors, and elevated neuroinflammation, all of which are critical for synaptic plasticity and memory. Interestingly, ablation of the vagus nerve, a modulator of the gut-brain axis, improved the memory function of PS-MPs mice. These results indicate that exposure to PS-MPs in mice alters the expression of neuronal activity-dependent genes and synaptic proteins, and increases neuroinflammation in the hippocampus, subsequently causing behavioral changes through the vagus nerve-dependent pathway. Our findings shed light on the adverse impacts of PS-MPs on the brain and hippocampal learning and memory.

Despite the success of antiretroviral therapy (ART) in reducing HIV-1–related morbidity and mortality, viral reservoirs persist in infected cells in individuals on suppressive ART. Unfortunately, very few therapeutic strategies have led to a substantial decrease in the number of these persistently infected cells, and novel approaches to eliminate or reduce HIV reservoir burden are urgently needed.1 One such high-priority strategy is the identification of cell-surface markers of either quiescent or HIV-1 transcriptionally active cells that may be targeted with therapeutics such as cytotoxic antibody-drug conjugates (ADCs).2,3 Whereas the search for targetable biomarkers on quiescent, latently infected cells has remained elusive, an alternative approach involves targeting and clearing viral reactivated cells following in vivo HIV-1 latency reversal, thereby providing the “kill” component to the “shock-and-kill” approach to achieving a functional HIV-1 cure or long-term ART-free remission.2,3 We recently reported that CD4+ T cells expressing CD30, a cell-surface membrane protein and a member of the tumor necrosis factor receptor superfamily, were enriched in HIV-1 RNA, and that CD30 and HIV-1 transcriptional activity strongly colocalized in gut tissue from ART-suppressed individuals.2 Furthermore, HIV-1–infected individuals, either viremic or on suppressive ART, had significantly higher percentages of memory CD4+ T cells that expressed CD30 compared with uninfected controls.2 Prior studies also demonstrated a link between HIV-1 plasma RNA and disease progression with soluble plasma CD30 levels.4-8 CD30 is usually expressed on tumor cells involved with Hodgkin or aggressive lymphomas, but is otherwise expressed in very few cells from healthy, HIV-1–uninfected individuals,9,10 making it an enticing target. We have also observed that ex vivo treatment of peripheral blood mononuclear cells (PBMCs) from ART-suppressed individuals with brentuximab vedotin, an anti-CD30 ADC,11 led to a decrease in HIV-1 DNA levels in samples from 4 of 7 participants tested.2 However, the direct, longitudinal impact of brentuximab vedotin therapy on measures of HIV-1 persistence in vivo is not known and proof-of-concept studies are urgently needed. Therefore, we studied the impact of 3 doses of brentuximab vedotin therapy for Hodgkin lymphoma on HIV-1 persistence and immune phenotype in a newly identified HIV-1–infected individual on long-term ART.

Roughing the metallic surface via oxidation-reduction cycles (ORC) to integrate the surface plasmon resonance and surface-enhanced Raman scattering (SERS) is predominant in developing sensor systems because of the facile preparation and uniform distribution of nanostructures. Herein, we proposed a distinctive ORC process: the forward potential passed through the oxidation of Au and reached the oxygen evolution reaction, and once the potential briefly remained at the vertex, the various reverse rates were employed to control the reduction state. The created hybrid Au-AuO x possessed electromagnetic and chemical enhancements concurrently, wherein the rough surface provided the strong local electromagnetic fields and significant interaction between AuO x and molecule to improve the charge transfer. The synergistic effects significantly amplified the intensity of Raman signal with an enhancement factor of 5.5 × 106 under the optimal conditions. Furthermore, the prepared SERS substrate can simultaneously identify and quantify the mixed edible pigments, Brilliant Blue FCF and Indigo Carmine, individually. This result suggested that the development of SERS sensor based on the proposed SERS-activated methodology is feasible and reliable.

Background Current US cervical cancer screening guidelines recommend screening cessation at the age of 65 years provided women have adequate previous screening and no history of precancer. Women living with HIV are at higher risk of cervical cancer than women living without HIV. Furthermore, limited data exists to quantify the risk of cervical cancer among women who otherwise would qualify for screening cessation. Objective This study aimed to determine whether guidelines recommending women to discontinue cervical cancer screening at the age of 65 years are appropriate for women living with HIV. Study Design Semiannual Papanicolaou testing was performed as part of surveillance visits in the Women’s Interagency HIV Study. Launched in October 1994, the Women’s Interagency HIV Study is a federally funded US multisite cohort study that has enrolled 3678 women living with HIV and 1304 women living without HIV; we included data throughout September 2019 onward. Conventional Papanicolaou tests were collected at scheduled 6-month visits and read centrally according to the 1991 Bethesda System criteria. Results were analyzed among women at least 65 years of age. The primary endpoint was high-grade cytology, including high-grade squamous intraepithelial lesions; atypical glandular cells; atypical squamous cells, cannot exclude high-grade lesions; and malignant cytology. Wilcoxon rank-sum tests were used to compare the continuous variables, and Chi-square tests or the Fisher exact tests were used to compare the categorical variables. The Kaplan-Meier method was used to calculate the cumulative incidence. Poisson regression was used to compare 2 incidence rates. Results Of 169 eligible women (121 women living with HIV and 48 women living without HIV) who contributed 678.4 person-years of observation after reaching the age of 65 years, 2.2% had high-grade cytologic abnormalities. However, no cancer was found. Furthermore, 20 women had previous precancer results, and 74 women had abnormal Papanicolaou test results in the previous decade. Among 50 women (38 women living with HIV and 12 women living without HIV) with a previous hysterectomy and no history of cervical precancer, the cumulative incidence rates of high-grade squamous intraepithelial lesions were 0.6 (95% confidence interval, 0.0–3.2) per 100 person-years for women living with HIV and 0.0 (95% confidence interval, 0.0–8.1) per 100 person-years for women living without HIV (P=.61). Only 48 women (27 women living with HIV and 21 women living without HIV) had cervices and met the current guidelines to discontinue screening; their risk of experiencing high-grade squamous intraepithelial lesions was 2.2 (95% confidence interval, 0.6–5.5) per 100 person-years overall and did not vary by HIV status (2.3 [95% confidence interval, 0.5–6.8] per 100 person-years for women living with HIV and 1.8 [95% confidence interval, 0.0–9.8] per 100 person-years for women living without HIV; P=.81). Conclusion Most women living with HIV do not meet the criteria for cervical cancer screening cessation and will need to continue screening over the age of 65 years; however, women who meet the criteria for screening cessation have risks of high-grade squamous lesions similar to women living without HIV and may choose to discontinue.

In this article, we introduce the theory and instrumentation that is relevant to nanospectroscopy imaging techniques, including near-field scanning optical microscope (NSOM) and tip-enhanced Raman scattering (TERS) imaging. We also demonstrate the NSOM and TERS imaging functions in emiconductor samples. Our findings support the view that NSOM and TERS imaging techniques can increase the space resolution and emphasize the surface information for the target surface layer. Thus, these techniques are applicable to the studies of materials with nanoscale patterns in the future.

A 33-year-old woman with a 2-year history of documented human immunodeficiency virus (HIV) infection presented to the emergency room at San Francisco General Hospital with a new-onset seizure disor...

Background: Children and adolescents with cyanotic congenital heart disease have been found to be at an increased risk of internalising problems. The underlying mechanisms, however, remain uncertain. Aims: To examine the association between cyanotic congenital heart disease and internalising problems and assess whether parenting stress mediates this association. Method: The study sample was 699 children and adolescents (aged 2–17 years) with congenital heart disease (253 with cyanotic congenital heart disease and 446 with acyanotic congenital heart disease) in Taiwan. The Child Behavior Checklist and the Parenting Stress Index were used to assess internalising problems and parenting stress, respectively. A series of multiple regression models was conducted using the SPSS PROCESS procedure to test the association between types of congenital heart disease and internalising problems and the mediating role of parenting stress. A bootstrapping approach was applied to determine the significance of mediation. Results: Compared with acyanotic congenital heart disease, cyanotic congenital heart disease was associated with increased levels of internalising problems (B=2.52, PConclusion: Cyanotic congenital heart disease conferred risks for internalising problems in children and adolescents, and this association was mediated by parenting stress. Interventions to decrease internalising problems in children and adolescents with cyanotic congenital heart disease may be more effective by targeting parenting stress.

In this work, we focus on building style transfer, which transforms ruin or old buildings to modern architecture. Inspired by Gaty's and Goodfellow's style transfer and generative adversarial network (GAN), we use CycleGAN to conquer this type of problem. As we know, image style transfer usually generated unexpected artifacts. To avoid the artifacts and generate better images, we add so called “perception loss” into the network, which is the feature loss extracted by VGG pre-trained model. In the part of “cycle” structure, we adjust cycle loss by changing the ratio of weighting parameters. Finally, we collect images of both ruin (or old) and modern architecture from websites and use unsupervised learning to train the model. The experimental results show our proposed method indeed realize the modern architecture style transfer for ruin or old buildings.

In this work, we focus on building style transfer, which transforms ruin buildings to modern architecture. Inspired by Gaty’s and Goodfellow’s style transfer and generative adversarial network (GAN), we use CycleGAN to conquer this type of problem. To avoid the artifacts and generate better images, we add “perception loss” into the network, which is the feature loss extracted by VGG pre-trained model. We also adjust cycle loss by changing the ratio of weighting parameters. Finally, we collect images of both ruin and modern architecture from websites and use unsupervised learning to train the model. The experimental results show our proposed method indeed realize the modern architecture style transfer for ruin buildings.

Surface modification of Ti using micro-current electrical discharge machining (MC-EDM) technology at various working parameters was conducted in the present study. A significant decrease in amount of surface cracks for modified Ti in deionized water mixed with concentration of 3 g/l Ti powder dielectric solvent was determined. Increasing the concentration of Ti powder to 6 g/l, no micro-cracks were observed on the modified Ti surfaces at current 0.1 A for short-pulse durations (≤50 μs). Moreover, the thickness of the recast layer increases with increasing current, pulse duration and concentration. Under the same working parameters, the thickness of recast layers on modified Ti enhances to approximately 4–11 μm in the concentration of 6 g/l Ti powder dielectric solvent. When Ti modified at different working parameters in deionized water mixed with Ti powder dielectric solvent, the TiO phase was observed within the recast layers. It was found that the modified Ti at current 0.1 A for 30 μs and 50 μs in a 6 g/l concentration of Ti powder dielectric solvent generates a hydrophilicity surface. Therefore, adding a suitable concentration of Ti powder into the dielectric solvent not only prevent the formation of surface cracks and micro-cracks, but also raise the wettability on the surfaces of Ti during MC-EDM modifications.

The investigation by microkinetic simulations provide detailed reaction mechanisms about the NH3 oxidation on the RuO2(110) surface. There are 41 elementary reactions involved in the microkinetic model in which all the thermodynamic and kinetic parameters are obtained from density functional theory (DFT) calculations, and the entropy effects of each reaction are considered in the simulation. The differences in reaction mechanisms between the batch type and the steady state were characterized in this study. The selectivities to the oxidation products, including N2, NO, and N2O, depend on the oxidation conditions. The simulated results show that the O2/NH3 ratio, system temperature, and pressure are the controlling factors that could alter the results of the oxidation. The microkinetic modeling demonstrates how these parameters affect the NH3 conversion and the selectivities. The simulations showed that N2 and NO could be a primary product under different oxidizing conditions; however, N2O could only be a m...

A dental scanning system was developed using multiple light strips of DPSSL (Diode-Pumped Solid-State Laser) sources with a video capturing module of one CMOS camera. The laser line scanning method is less sensitive to the surface conditions of the materials for measurement compared with the structured light scanning method, and a multi-lines scanning design is used to improve the scanning efficiency. The study uses DPSSL lines to scan over the teeth models either by sequence or by sections, which determines the actual time spent. For an object within 100x100mm projective area, the scanning time is about 10 minutes with ±0.05 mm accuracy on a gypsum teeth model using sequential scanning. The results show high accuracy and efficiency scanning teeth models with multi-lines projecting module integrated within, and is possible for further improvement in the growing digital-dental industry.

The temperature-programmed desorption (TPD) spectra were simulated by combining density functional theory (DFT) calculations and microkinetic modeling. In the microkinetic analyses, all kinetic and thermodynamic parameters were obtained from DFT calculations to minimize artificial assumptions. For the case study, the desorptions of NH3 and H2O from the RuO2(110) surface were simulated. The coverage-dependent desorption energies were introduced into the microkinetic model because different adsorbates on the surface will exhibit different desorption behaviors. In addition, temperature-dependent pre-exponential factors were applied to the desorption rate equations. The calculated pre-exponential factors are ranged from 1014 to 1017 s–1, which are greatly larger than 1013 s–1, a generally accepted empirical value for desorption processes. The desorption temperatures obtained from microkinetic simulations consist with experimental results, and the simulated TPD patterns are also similar to the experimental obs...

Background. The optimal therapeutic approach for patients with AIDS-related primary central nervous system lymphoma (AR-PCNSL) remains undefined. While its incidence declined substantially with combination antiretroviral therapy (cART), AR-PCNSL remains a highly aggressive neoplasm for which whole brain radiotherapy (WBRT) is considered a standard first-line intervention. Methods. To identify therapy-related factors associated with favorable survival, we first retrospectively analyzed outcomes of AR-PCNSL patients treated at San Francisco General Hospital, a public hospital with a long history of dedicated care for patients with HIV and AIDS-related malignancies. Results were validated in a retrospective, multicenter analysis that evaluated all newly diagnosed patients with AR-PCNSL treated with cART plus high-dose methotrexate (HD-MTX). Results. We provide evidence that CD4+ reconstitution with cART administered during HD-MTX correlates with long-term survival among patients with CD4 Conclusion. Long-term disease-free survival can be achieved in AR-PCNSL, even among those with histories of opportunistic infections, limited access to health care, and medical non-adherence. Given this, as well as the long-term toxicities of WBRT, we recommend that integration of cART plus first-line HD-MTX be considered for all patients with AR-PCNSL.

Studies show that service employees are among the most disengaged in the workforce. To better understand service employees’ job engagement, this study broadens the scope of the job demands-resources (JD-R) model to include power distance orientation (PDO). The inclusion of PDO enriches the JD-R model by providing a key piece of information that has been missing in prior JD-R models: employees’ perceptions of the source of job demands (i.e., supervisors) or employees’ views of power and hierarchy within the organization. Study 1 uses a survey-based field study to show that employees with a high (compared to low) PDO feel more burnout due to supervisors when they are closely monitored by their supervisors. Study 1 further supports the finding that employees with high (compared to low) PDO feel less disengagement despite burnout due to supervisors. Study 2, using a lab experiment, and Study 3, relying on a survey-based field study, unveil why these effects were observed. Stress and job satisfaction emerge as mediators that explain the findings from Study 1. Implications of the role of PDO are discussed to improve the current understanding of how job engagement can improve customer service performance.

The adsorption and dissociation of methane on the IrO2(110) surface were investigated by density functional theory calculations. The adsorption energy of methane obtained in this study is −0.41 eV on the stoichiometric surface and −0.63 eV on the oxygen-rich surface, which are significantly higher than those calculated recently on other different catalytic systems. Analyses from density of states and electron density difference show a special interaction between the C–H bonding orbital and the dz2 orbital of surface iridium atom. In addition, the first hydrogen atom abstraction of methane by the IrO2(110) surface is a reaction with low barrier and high exothermic energy. The lower reaction barrier than the desorption energy indicates that the IrO2(110) surface could provide not only high sticking coefficient but also high turnover frequency in methane dissociation reaction.

In this study, we employed density functional theory (DFT) to investigate the oxidation of ammonia (NH(3)) on the IrO(2)(110) surface. We characterized the possible reaction pathways for the dehydrogenation of NH(x) species (x = 1-3) and for the formation of the oxidation products N(2), N(2)O, NO, NO(2), and H(2)O. The presence of oxygen atoms on coordinatively unsaturated sites (O(cus)) of the oxygen-rich IrO(2)(110) surface promotes the oxidation of NH(3) on the surface. In contrast, NH(3) molecules prefer undergoing desorption over oxidation on the stoichiometric IrO(2)(110) surface. Moreover, the O(cus) atoms are also the major oxidants leading to the formation of oxidation products; none of the oxidations mediated by the bridge oxygen atoms were favorable reactions. The energy barrier for formation of H(2)O as a gaseous oxidation product on the IrO(2)(110) surface is high (from 1.83 to 2.29 eV), potentially leading to the formation of nitrogen-atom-containing products at high temperature. In addition, the selectivity toward the nitrogen-atom-containing products is dominated by the coverage of O(cus) atoms on the surface; for example, a higher coverage of O(cus) atoms results in greater production of nitrogen oxides (NO, NO(2)).

The oxidation of ammonia (NH3) and the reduction of nitrogen (N2) are two important processes in chemistry. In this study, we used density functional theory calculations to investigate the adsorpti...

We have investigated the decomposition of ethanol (EtOH) on a 3Ni/α-Al2O3(0001) surface using periodic density functional theory calculations. A triangular Ni trimer doped on a 2 × 2 α-Al2O3(0001) ...

In this research, the broadband light (from 365-940 nm) and room temperature gas (NO, CO) sensing can be achieved by using nano-heterojunction (Ge and SnO2 nanowire) device; the detail analysis can be measured by in-situ spectrum and electrical measurement system. The in-situ spectrum and electrical measurement can provide the response immediately to investigate the interface defect, band bending and Joule-heating effect through the response of the devices. For broadband light detection experiment, the visible light (532 nm) beam was illuminated at different parts of the nano-heterjunction device (p-type semiconductor, n-type semiconductor, and interface). The broadband light responses only happen at interface part, not at both nanowires. For gas detection experiment, the Raman spectrum and electrical signal can be used for studying gas molecule and nano-heterjunction dynamics. Base on the abovementioned experiment, we can find the parameters to create and design new nano-device in smart way.

Deoxygenation of the IrO 2 (1 1 0) surface is investigated at 403–493 K, using the core-level spectroscopy and density functional theory (DFT) calculation. The Ir-4f 7/2 signals of 1f-cus-Ir with and without on-top oxygen (O top ) emerge as surface features of the baked-out surface, whose positive and negative shifts in binding energy are in line with the DFT computation results. Progressively increasing the reduction temperature, the 1f-cus-Ir feature quickly disappears and the signal of 2f-cus-Ir emerges at 403 K. Meanwhile the feature of 1f-cus-Ir + O top diminishes but persists when the Ir metal signal is evident. The intriguing coexistence of 1f-cus-Ir + O top and Ir metal at 433–443 K is elucidated in the theoretical pathway study. DFT calculation reveals that O 2 desorption via pairing two neighboring O top atoms is the rate-determining step of surface deoxygenation. Under the UHV conditions, O top is replenished via migration of the surface oxygen species, including the threefold coordinated oxygen (O 3f ) of a reduced surface. Hence the O top atom is an active and long-lived surface species, which does not vanish until O 3f is consumed and surface Ir begins to cluster. Under the realistic pressure conditions, O top can also be refreshed via the dissociative adsorption of gas-phase oxygen. In either pathway, O top is a critical intermediary of IrO 2 (1 1 0) oxidation catalysis.

This study was to investigate the corrosion resistance of different Ti-containing dental orthodontic wires (including Ni–Ti, Ni–Ti–Cu, Ti–Mo–Zr–Sn, and Ti–Nb alloys) in acidic fluoride-containing artificial saliva using cyclic potentiodynamic polarization curve measurements. Different NaF concentrations (0%, 0.2%, and 0.5%), simulating the fluoride contents in commercial toothpastes, were added to the artificial saliva. Surface characterization was analyzed using X-ray photoelectron spectrometry. Cyclic potentiodynamic polarization curves showed that the presence of fluoride ions, especially 0.5% NaF, was detrimental to the protective ability of the TiO2-based film on the Ti-containing wires. This might lead to a decrease in the corrosion resistance of the tested alloys, i.e. an increase in the corrosion rate and anodic current density and a decrease in the passive film breakdown potential. Among the tested Ti-containing wires, the Ni–Ti and Ni–Ti–Cu wires containing mainly TiO2 on surface film were more susceptible to fluoride-enhanced corrosion, while the Ti–Mo–Zr–Sn and Ti–Nb wires containing MoO3/ZrO2/SnO and Nb2O5, respectively, along with TiO2 on surface film were pitting corrosion resistant and showed a lower susceptibility to fluoride-enhanced corrosion. The difference in corrosion resistance of the tested commercial Ti-containing dental orthodontic wires was significantly dependent on the passive film characteristics on wires’ surface.

We have used density functional theory (DFT) calculations to investigate the oxidation of ammonia (NH 3 ) on a RuO 2 (110) surface. We characterized the possible reaction pathways for the dehydrogenation of NH x species (x = 1-3) and the formation of the oxidation products N 2 , NO, and H 2 O. The presence of oxygen atoms on coordinatively unsaturated sites (O cus ) promoted the oxidation of NH 3 on the surface. The oxidation of N H 3 is possible on both stoichiometric and oxygen-rich RuO 2 (110) surfaces; in the absence of O cus (stoichiometric surface), however, NH 3 molecules prefer desorption over oxidation. Moreover, the O cus , atoms are the major oxidants in this process; the formations of H 2 O and NO from bridge oxygen atoms (O br ) are both unfavorable reactions. According to our energetic analysis, in the NH x dehydrogenation pathways, H atom migration from NH 2-cus , to O br , has the highest barrier by 0.86 eV; it is much lower than the interaction energy of NH 3 on the RuO 2 (110) surface. In terms of nitrogen-atom-containing products, NO, N 2 , and N 2 O are all possible products of the oxidation of NH 3 . The formation of the gaseous oxidation products H 2 O and NO is determined by their binding energies, whereas that of N 2 is controlled by the diffusion of N cus atoms on the surface. In addition, the selectivity toward the nitrogen-atom-containing products N 2 and NO is dominated by the coverage of O cus atoms on the surface; a higher coverage of O cus atoms results in greater production of NO.

We have used density functional theory (DFT) to investigate the adsorption of NHx species (x = 1−3) onto RuO2(110) surfaces at various monolayer coverages and onto oxygen-rich RuO2(110) surfaces. We characterized the structures, vibrational frequencies, and detailed bonding interactions between the adsorbates and the surfaces. The binding energy increased as the number of hydrogen atoms bonded to the N atom decreased, i.e., NH3-cus binds most weakly to the surface, whereas NHcus has the highest binding energy. We investigated the nature of the metal−NHx bonding through analyses of the density of states (DOS) and electron density difference contour maps. The DOS analysis allowed us to characterize the state interactions between the NHx species and the surface; the electron density difference maps provided evidence that was consist with the DOS analysis. A greater number of state interactions led to the higher binding energy of an NHx species: for NH3-cus bound through a single σ bond, the binding energy wa...

HIV is associated with an excess risk for lymphoid malignancies. Although the risk of lymphoma has decreased in HIV-infected individuals in the era of effective combination antiretroviral therapy, it remains high. Treatment outcomes have improved due to improvements in HIV and cancer therapeutics for the common HIV-associated lymphomas. R-CHOP/R-EPOCH are the standard of care for HIV-associated diffuse large B-cell lymphoma. HIV-infected patients with Burkitt lymphoma and good performance status should receive dose-intensive regimens. HIV-infected patients with primary central nervous system lymphoma can respond favorably to high-dose methotrexate-based therapy. In many cases, treatment and expected outcomes for HIV-infected patients with either Hodgkin or non-Hodgkin's lymphomas are very similar to HIV-negative patients. There is currently no standard treatment for HIV-associated multicentric Castleman disease or primary effusion lymphoma. For those hematologic cancers in which transplantation is part of standard care, this modality should be considered an option in those with well-controlled HIV infection.

The immobilization antigens (i-antigens) of Ichthyophthirius multifiliis are potential vaccine candidates for the prevention of 'white spot' disease in freshwater fish. These antigens vary with respect to antigenicity and molecular mass, and at least five i-antigen serotypes have been identified among parasite isolates thus far. In previous studies, the gene and corresponding cDNA encoding a approximately 48 kDa i-antigen from parasite isolate G1 (serotype A), had been cloned and sequenced. We now report on the isolation of two new genes, designated IAG52A[G5] and IAG52B[G5], encoding approximately 52/55 kDa i-antigens from a parasite isolate representing a different serotype, namely, D. Based on their deduced sequences, the approximately 52/55 kDa gene products have the same structural features as the 48 kDa protein including hydrophobic N- and C-termini, periodic cysteine residues with the potential for metal binding, and tandemly repetitive amino acid sequence domains that span their length. Nevertheless, the products of these genes vary in their tandem repeat copy number, and share only approximately 50% homology overall. When expressed in heterologous systems, the products of the newly described genes react strongly with monospecific polyclonal antisera against the i-antigens of serotype D and are clearly i-antigens. It would nevertheless appear that mRNA transcripts from the two genes are present at widely different levels within parasites themselves. Analysis at the protein level using 2-D SDS-PAGE would further suggest that multiple i-antigens are expressed within the same serotype at any given time.

With the advent of effective combination of antiretroviral therapy, HIV infection has been transformed from a fatal disease to a chronic condition. There is renewed clinical interest in long-term morbidities, including malignancies that occur disproportionately within this population. Non-AIDS-defining cancers (NADCs) represent a significant source of morbidity and mortality in the aging HIV-infected population. There is data to suggest that incidence rates are elevated among HIV-infected individuals for many cancer sites, particularly those with a confirmed or suspected infectious etiology. The complex interplay between behavioral risk factors, co-existence of viral infections, immunodeficiency and antiretroviral therapy makes it difficult to analyze why certain cancers developed more frequently in HIV-infected individuals. The challenge to clinicians caring for HIV-infected patients is to develop and implement effective means to screen, treat, and prevent NADCs in the future. This review presents data on whether NADCs are increased in the HIV-Infected population, as well as ongoing research on epidemiology, prevention and pathogenesis of this evolving aspect of the HIV epidemic.

Imidazolium salts, [RS(O) CH2 (C3 H3 N2 )​Mes]​Cl (R=Me (L1 a)​, Ph (L1 b)​)​; Mes=mesityl)​, make convenient carbene precursors. Palladation of L1 a affords the monodentate dinuclear complex, [(PdCl2 {MeS(O)​CH2 (C3 H2 N2 )​Mes}​)​2 ] (2 a)​, which is converted into trans-​[PdCl2 (NHC)​2 ] (trans-​4 a; N-​heterocyclic carbene) with two rotamers in anti and syn configurations. Complex trans-​4 a can isomerize into cis-​4 a(anti) at reflux in acetonitrile. Abstraction of chlorides from 4 a or 4 b leads to the formation of a new dication: trans-​[Pd{RS(O)​CH2 (C3 H2 N2 )​Mes}​2 ]​(PF6 )​2 (R=Me (5 a)​, Ph (5 b)​)​. The X-​ray structure of 5 a provides evidence that the two bidentate SO NHC ligands at palladium(II) are in square-​planar geometry. Two sulfoxides are sulfur- and oxygen-​bound, and constitute five- and six-​membered chelate rings with the metal center, respectively. In acetonitrile, complexes 5 a or 5 b spontaneously transform into cis-​[Pd(NHC)​2 (NCMe)​2 ]​(PF6 )​2 . Similar studies of thioether-​NHCs have also been examined for comparison. The results indicate that sulfoxides are more labile than thioethers.

Meeting the needs of HIV-infected pregnant women requires understanding their backgrounds and potential barriers to care and safe pregnancy. Foreign-born women are more likely to have language, educational, and economic barriers to care, but may be even more likely to choose to keep a pregnancy. Data from HIV-infected pregnant women and their children in Rhode Island were analyzed to identify trends in demographics, viral control, terminations, miscarriages, timing of diagnosis, and adherence to followup. Between January 2004 and December 2009, 76 HIV-infected women became pregnant, with a total of 95 pregnancies. Seventy-nine percent of the women knew their HIV status prior to becoming pregnant. Fifty-four percent of the women were foreign-born and 38 percent of the 16 women who chose to terminate their pregnancies were foreign-born. While the number of HIV-infected women becoming pregnant has increased only slightly, the proportion that are foreign-born has been rising, from 41 percent between 2004 and 2005 to 57.5 percent between 2006 and 2009. A growing number of women are having multiple pregnancies after their HIV diagnosis, due to the strength of their desire for childbearing and the perception that HIV is a controllable illness that does not preclude the creation of a family.

We have used density functional theory at the B3LYP/6-31++G(d,p) level of theory to investigate proton transfer in protonated N(2)-acetyl-N(1)-methylglycinamide and N-acetylglycyl-N(1)-methylglycinamide with multiwater assistance and to determine the structures and energies of the most important minima and transition states corresponding to the proton-transfer pathways. We propose mechanisms for proton transfer between adjacent and nonadjacent carbonyl oxygen atoms with water bridge assistance. The presence of a two-water bridge connected to the two carbonyl oxygen atoms provides a proton-transfer mechanism having such a low-barrier that the excess proton is almost freely mobile.

We have investigated the decomposition of ethanol (EtOH) on a 3Ni/α-Al₂O₃(0001) surface using periodic density functional theory calculations. A triangular Ni trimer doped on a 2 × 2 α-Al₂O₃(0001) surface was used to represent the 3Ni/α-Al₂O₃(0001) surface. We considered several possible pathways for EtOH decomposition over the 3Ni/α-Al₂O₃(0001) surface, including dehydrogenation and C-C bond cleavage. Our calculated results indicated that (i) the 3Ni/α-Al₂O₃(0001) surface possesses high activity to inhibit coke formation and (ii) the CH₂CH₂O((a)) → CH₂CHO((a)) + H((a)) reaction is the rate-determining step for the overall reaction [CH₃CH₂OH((a)) → CH(2(a)) + CO((a)) + 4 H((a))] with an energy barrier of 1.20 eV. One feasible channel leading to C-C bond cleavage is weakening of the C-C bond in the stable CH₂CO intermediate via transformation of the adsorbed structure to a metastable structure, thereby increasing the coordination number of the two C atoms to the Ni trimer. In addition, we also investigated the nature of the metal-ethanol bonding through scrutiny of density of states (DOS) and electron density difference contour plots. The DOS analysis allowed us to characterize the state interactions between ethanol and the surfaces; the electron density difference plots provide evidence that is consistent with the prediction from DOS analysis.