Miracle-dz/UniFAR-FTUs huggingface dataset:
Structure and energetics of thin film water

We present a molecular dynamics (MD) simulation study of the structure and energetics of thin films of water adsorbed on solid substrates at 240 K. By considering crystalline silica as a model hydrophilic surface, we systematically investigate the effect of film thickness on the hydrogen bonding, density, molecular orientation, and energy of adsorbed water films over a broad surface coverage range (δ). At the lowest coverage investigated (δ = 1 monolayer, ML), >90% of water molecules form three hydrogen bonds (H-bonds) with surface silanol groups and none with other water molecules; when δ = 1 ML, the most probable molecular orientation is characterized by both the molecular dipole and the OH vectors being parallel to the surface. As δ increases, water−water and water−surface interactions compete, leading to the appearance of an orientational structure near the solid−liquid interface characterized by the dipole moment pointing toward the silica surface. We find that the water−surface H-bond connectivity a.
Proxies of community production derived from the diel variability of particulate attenuation and backscattering coefficients in the northwest Mediterranean Sea

A 6 yr time series of high frequency inherent optical property (IOP) measurements in the Mediterranean was used to derive information on the diel and seasonal variability of particulate production. Empirical relationships between particulate attenuation (cp), particulate backscattering (bbp), and particulate organic carbon allowed calculation of estimates of net community production (NCP), daytime NCP (NCPd), and gross community production (GCP) from the diel variations in either IOP. Similar seasonal variations and good correlation (r = 0.83, p < 0.001) between daily means of cp and bbp were observed, yet differences in the timing and amplitude of their diel cycles led to significant differences in their derived production metrics. Best agreement was obtained during bloom proliferation (44.1–66.7% shared variance) when all three production estimates were highest, while worst was during bloom decline. Best overall correlation was found for NCPd. Accordingly, only cp‐derived estimates reproduced predicted seasonal variations in community production and seasonality of “traditional” chlorophyll‐based primary production models. Analysis of the diel cycles of “real‐time” net community production (NCPh), determined from the first‐derivative of either cp or bbp, revealed ca. fourfold to eightfold lower daytime NCPh, twofold to fivefold lower daily maximum NCPh, and twice as much intraseasonal variability relative to the mean amplitude of diel variations for bbp. Although the timing of maximum of cp‐derived NCPh was consistently prior to solar noon, significant seasonal differences in the timing of maximum bbp‐derived NCPh was observed. Particulate backscattering may be used to infer biogeochemical properties, while greater understanding of the diel cycles of bbp is needed before bbp can be used to investigate daily community production.
Emotion Regulation and Life Satisfaction:On Mediating Role of Interpersonal Disturbances

This article aims to exploration of the relationship between college emotion regulation strategies,life satisfaction and interpersonal disturbances.Data have been collected with 383undergraduate students by means of questionnaire.Results indicate that the interpersonal distress of college Students is the partial mediator between reappraisal and life satisfaction,and that suppression strategies do not have significant correlation with life satisfaction and interpersonal disturbances.
Hormone replacement therapy after a diagnosis of breast cancer in relation to recurrence and mortality.

BACKGROUND Hormone replacement therapy (HRT) is typically avoided for women with a history of breast cancer because of concerns that estrogen will stimulate recurrence. In this study, we sought to evaluate the impact of HRT on recurrence and mortality after a diagnosis of breast cancer. METHODS Data were assembled from 2755 women aged 35-74 years who were diagnosed with incident invasive breast cancer while they were enrolled in a large health maintenance organization from 1977 through 1994. Pharmacy data identified 174 users of HRT after diagnosis. Each HRT user was matched to four randomly selected nonusers of HRT with similar age, disease stage, and year of diagnosis. Women in the analysis were recurrence free at HRT initiation or the equivalent time since diagnosis. Rates of recurrence and death through 1996 were calculated. Adjusted relative risks were estimated by use of the Cox regression model. All statistical tests were two-sided. RESULTS The rate of breast cancer recurrence was 17 per 1000 person-years in women who used HRT after diagnosis and 30 per 1000 person-years in nonusers (adjusted relative risk for users compared with nonusers = 0.50; 95% confidence interval [CI] = 0.30 to 0.85). Breast cancer mortality rates were five per 1000 person-years in HRT users and 15 per 1000 person-years in nonusers (adjusted relative risk = 0.34; 95% CI = 0.13 to 0.91). Total mortality rates were 16 per 1000 person-years in HRT users and 30 per 1000 person-years in nonusers (adjusted relative risk = 0.48; 95% CI = 0.29 to 0.78). The relatively low rates of recurrence and death were observed in women who used any type of HRT (oral only = 41% of HRT users; vaginal only = 43%; both oral and vaginal = 16%). No trend toward lower relative risks was observed with increased dose. CONCLUSION We observed lower risks of recurrence and mortality in women who used HRT after breast cancer diagnosis than in women who did not. Although residual confounding may exist, the results suggest that HRT after breast cancer has no adverse impact on recurrence and mortality.
Parental Stress, Discipline Strategies, and Child Behavior Problems in Families With Young Children With Autism Spectrum Disorders

The current study investigated the parent–child relationship by examining associations between parent stress, parental discipline strategies, child disruptive behavior problems, and level of autism spectrum disorder (ASD) symptoms. A sample of 130 parents of children with ASD ages 3 to 11 years participated. Parents reported high levels of parent stress and high levels of child disruptive behavior problems. A series of mediation analyses via bootstrapping were used to examine the development of child disruptive behavior. Use of harsh and punitive parental discipline strategies mediated the link between parent stress and child disruptive behavior problems. These findings suggest that parental discipline strategies should be a central target in prevention and treatment interventions for children with ASD to reduce the emergence of child disruptive behavior problems. Reducing challenging behavior in children with ASD may improve the rate of skill acquisition and improve the parent–child relationship. Future directions for research along with clinical implications for families are discussed.
Family process and youth internalizing problems: A triadic model of etiology and intervention

Abstract Despite major advances in the development of interventions for youth anxiety and depression, approximately 30% of youths with anxiety do not respond to cognitive behavioral treatment, and youth depression treatments yield modest symptom decreases overall. Identifying networks of modifiable risk and maintenance factors that contribute to both youth anxiety and depression (i.e., internalizing problems) may enhance and broaden treatment benefits by informing the development of mechanism-targeted interventions. A particularly powerful network is the rich array of family processes linked to internalizing problems (e.g., parenting styles, parental mental health problems, and sibling relationships). Here, we propose a new theoretical model, the triadic model of family process, to organize theory and evidence around modifiable, transdiagnostic family factors that may contribute to youth internalizing problems. We describe the model's implications for intervention, and we propose strategies for testing the model in future research. The model provides a framework for studying associations among family processes, their relation to youth internalizing problems, and family-based strategies for strengthening prevention and treatment.
A Survey on Cache Management Mechanisms for Real-Time Embedded Systems

Multicore processors are being extensively used by real-time systems, mainly because of their demand for increased computing power. However, multicore processors have shared resources that affect the predictability of real-time systems, which is the key to correctly estimate the worst-case execution time of tasks. One of the main factors for unpredictability in a multicore processor is the cache memory hierarchy. Recently, many research works have proposed different techniques to deal with caches in multicore processors in the context of real-time systems. Nevertheless, a review and categorization of these techniques is still an open topic and would be very useful for the real-time community. In this article, we present a survey of cache management techniques for real-time embedded systems, from the first studies of the field in 1990 up to the latest research published in 2014. We categorize the main research works and provide a detailed comparison in terms of similarities and differences. We also identify key challenges and discuss future research directions.
Change-oriented organizational citizenship behavior: Analysis of antecedents centered on regulatory theory focus at the workplace

Purpose The purpose of this paper is to investigate the relationship between a challenging dimension of organizational citizenship behavior (OCB) and self-regulatory focus in an academic work setting. Job performance indicators were included to assess the nomological validity of regulatory focus measures. Design/methodology/approach Data were collected using a questionnaire conducted with 251 Spanish academic workers. The data were analyzed using structural equation modeling. Findings Results reveal the existence of positive relationships between promotion focus and two of the outcomes: change-oriented OCB and research-oriented performance-enhancement intention. On the other hand, prevention focus had only a significant relationship with teacher-oriented performance-enhancement intention. Research limitations/implications The limitations of this research are twofold: on the one hand, further research should overcome the methodological limitations related with data gathering, looking for third-party measures of performance and favoring longitudinal data collection designs. On the other hand, more research is needed on the malleability of regulatory focus, defining models when prevention and promotion focus act as mediating variables. Practical implications Individuals with high levels of promotion focus will put their efforts on the tasks which are more valued in the processes of tenure, promotion and compensation. On the other hand, individuals with high levels of prevention focus will tend to meet the minimum of requirements and accomplish salient job duties. That can be taken into account when defining human resource policies, giving a high weight in the assessment of tenure and promotion programs to the tasks where the organization wants their promotion focus individuals to center their attention. Originality/value This paper is one of the first efforts of validating the Regulatory Focus at Work Scale in organizational and academic contexts different from the initial validation study. The study also contributes to research on the antecedents of change-oriented OCBs, and defines new measures of intentions to perform in specific working activities.
Time-domain and frequency-domain modeling of nonlinear optical components at the circuit-level using a node-based approach

We present a tool that aids in the modeling of optical circuits, both in the frequency and in the time domain. The tool is based on the definition of a node, which can have both an instantaneous input-output relation and different state variables (e.g., temperature and carrier density) and differential equations for these states. Furthermore, each node has access to part of its input history, allowing the creation of delay lines or digital filters. Additionally, a node can contain subnodes, allowing the creation of hierarchical networks. This tool can be used in numerous applications such as frequency-domain analysis of optical ring filters, time-domain analysis of optical amplifiers, microdisks, and microcavities. Although we mainly use this tool to model optical circuits, it can also be used to model other classes of dynamical systems, such as electrical circuits and neural networks.
Should Insider Trading be Prohibited when Share Repurchases are Allowed

This paper considers share repurchases as the way long-term shareholders preserve their ability to use corporate information for speculative purposes when insider trading regulation is enforced. This use of corporate information increases the adverse selection losses of short-term shareholders. Thus, buy-back programs reduce their incentive to invest in stocks that back the most productive technology, leading to a socially inefficient equilibrium. It follows that insider trading should not be banned when share repurchases are allowed. More generally, the paper argues that the regulation of insider trading and repurchases can not be considered in isolation, and analyzes their interplay. Copyright 2008, Oxford University Press.
Intranasal IFNγ extends passive IgA antibody protection of mice against Mycobacterium tuberculosis lung infection

Intranasal inoculation of mice with monoclonal IgA against the α‐crystallin (acr1) antigen can diminish the tuberculous infection in the lungs. As this effect has been observed only over a short‐term, we investigated if it could be extended by inoculation of IFNγ 3 days before infection, and further coinoculations with IgA, at 2 h before and 2 and 7 days after aerosol infection with Mycobacterium tuberculosis H37Rv. This treatment reduced the lung infection at 4 weeks more than either IgA or IFNγ alone (i.e. 17‐fold, from 4·2 × 107 to 2·5 × 106 CFU, P = 0·006), accompanied also by lower granulomatous infiltration of the lungs. IFNγ added prior to infection of mouse peritoneal macrophages with IgA‐opsonized bacilli resulted in a synergistic increase of nitric oxide and TNFα production and a 2–3 fold decrease in bacterial counts. Our improved results suggest, that combined treatment with IFNγ and IgA could be developed towards prophylactic treatment of AIDS patients, or as an adjunct to chemotherapy.
Sustained Release Drug Delivery Applications of Polyurethanes

Since their introduction over 50 years ago, polyurethanes have been applied to nearly every industry. This review describes applications of polyurethanes to the development of modified release drug delivery. Although drug delivery research leveraging polyurethanes has been ongoing for decades, there has been renewed and substantial interest in the field in recent years. The chemistry of polyurethanes and the mechanisms of drug release from sustained release dosage forms are briefly reviewed. Studies to assess the impact of intrinsic drug properties on release from polyurethane-based formulations are considered. The impact of hydrophilic water swelling polyurethanes on drug diffusivity and release rate is discussed. The role of pore formers in modulating drug release rate is examined. Finally, the value of assessing mechanical properties of the dosage form and approaches taken in the literature are described.
High kallikrein-related peptidase 6 in non-small cell lung cancer cells: an indicator of tumour proliferation and poor prognosis

The human kallikrein‐related peptidases (KLK) are serine proteases whose concentrations are often abnormal in common human malignancies and contribute to neoplastic progression through multifaceted roles. However, little attention has been paid to their synthesis and involvement in the development and dissemination of lung cancer, the leading cause of cancer mortality worldwide. We have analysed the production of KLK6 in normal lung and tumour tissues from patients with non‐small cell lung cancer (NSCLC). KLK6 immunoreactivity was restricted to epithelial cells of the normal bronchi, but most of the cancer samples were moderately or highly immunoreactive, regardless of the histological subtype. In contrast, little or no KLK6 was detected in NSCLC cells. We have developed NSCLC lines expressing wild‐type KLK6 in order to investigate the role of KLK6 in lung cancer biology, and analysed its impact on proliferation. Ectopic KLK6 dramatically enhanced NSCLC cell growth and KLK6‐producing NSCLC cells had accelerated cell cycles, between the G1 and S phases. This was accompanied by a marked increase in cyclin E and decrease in p21. KLK6 production was also associated with enhanced synthesis of c‐Myc, which is known to promote cell‐cycle progression. Finally, examination of specimens from patients with NSCLC revealed that KLK6 mRNA is overexpressed in tumour tissue, and high KLK6 concentrations were associated with lower survival rates. We conclude that a high concentration of KLK6 is an indicator of tumour proliferation and an independent predictive factor in NSCLC.
Relapse prevention in major depressive disorder: Mindfulness-based cognitive therapy versus an active control condition.

OBJECTIVE We evaluated the comparative effectiveness of mindfulness-based cognitive therapy (MBCT) versus an active control condition (ACC) for depression relapse prevention, depressive symptom reduction, and improvement in life satisfaction. METHOD Ninety-two participants in remission from major depressive disorder with residual depressive symptoms were randomized to either an 8-week MBCT or a validated ACC that is structurally equivalent to MBCT and controls for nonspecific effects (e.g., interaction with a facilitator, perceived social support, treatment outcome expectations). Both interventions were delivered according to their published manuals. RESULTS Intention-to-treat analyses indicated no differences between MBCT and ACC in depression relapse rates or time to relapse over a 60-week follow-up. Both groups experienced significant and equal reductions in depressive symptoms and improvements in life satisfaction. A significant quadratic interaction (Group × Time) indicated that the pattern of depressive symptom reduction differed between groups. The ACC experienced immediate symptom reduction postintervention and then a gradual increase over the 60-week follow-up. The MBCT group experienced a gradual linear symptom reduction. The pattern for life satisfaction was identical but only marginally significant. CONCLUSIONS MBCT did not differ from an ACC on rates of depression relapse, symptom reduction, or life satisfaction, suggesting that MBCT is no more effective for preventing depression relapse and reducing depressive symptoms than the active components of the ACC. Differences in trajectory of depressive symptom improvement suggest that the intervention-specific skills acquired may be associated with differential rates of therapeutic benefit. This study demonstrates the importance of comparing psychotherapeutic interventions to active control conditions.
Employee attitude surveys: examining the attitudes of noncompliant employees.

Employees (N = 194) from a wide variety of organizations participated in this study aimed at describing the attitudes of individuals who refuse to respond to an employee survey request (noncompliants). Noncompliants, in comparison with those individuals who would comply with the survey request, possessed greater intentions to quit, less organizational commitment, and less satisfaction toward supervisors and their own jobs. Noncompliants also possessed more negative beliefs regarding how their organization handles employee survey data (e.g., does not act on survey data). No significant differences were found for work-related demographic variables, satisfaction with pay, and satisfaction with promotion opportunities. Implications for survey research are discussed along with methods to address nonresponse and noncmpliance.
A comparison of the chemical characteristics of oceanic DOM and extracellular DOM produced by marine algae

The chemical characteristics of extracellular high molecular weight (HMW) dissolved organic matter (DOM) from 3 species of marine phytoplankton were compared to HMW DOM in seawater. Thalassiosira weissflogii, Emiliania huxleyi and Phaeocystis sp. , were grown in nutrient enriched seawater that had been previously ultrafiltered to remove HMW DOM. The extracellular HMW DOM produced in these cultures was isolated by ultrafiltration and characterized using nuclear magnetic resonance (NMR) spectroscopy, and molecular level analyses. All species exude DOM rich in polysaccharides, and the exudates of T. weissflogii and E. huxleyi closely resemble acyl heteropolysaccharides (APS) previously identified as major constituents of naturally occurring marine HMW DOM. Degradation of the T. weissflogii exudate alters the chemical composition of the DOM, which we attribute to differences in the reactivity of specific polysaccharides. The component within the exudate that most resembles seawater DOM has a slower degradation rate relative to the total polysaccharide fraction. Our study indicates that APS isolated from the surface ocean can have a direct algal source and that APS may accumulate in seawater as a result of its metabolic resistance.
Pricing the Term Structure with Linear Regressions

We show how to price the time series and cross section of the term structure of interest rates using a three-step linear regression approach. Our method allows computationally fast estimation of term structure models with a large number of pricing factors. We present specification tests favoring a model using five principal components of yields as factors. We demonstrate that this model outperforms the Cochrane and Piazzesi (2008) four-factor specification in out-of-sample exercises but generates similar in-sample term premium dynamics. Our regression approach can also incorporate unspanned factors and allows estimation of term structure models without observing a zero-coupon yield curve.
Regional and Sectoral Estimates of the Social Cost of Carbon: An Application of Fund

The social cost of carbon is an estimate of the benefit of reducing CO2 emissions by one ton today. As such it is a key input into cost-benefit analysis of climate policy and regulation. We provide a set of new estimates of the social cost of carbon from the integrated assessment model FUND 3.5 and present a regional and sectoral decomposition of our new estimate. China, Western Europe and the United States have the highest share of harmful impacts, with the precise order depending on the discount rate. The most important sectors in terms of impacts are agriculture and increased energy use for cooling. We present an extensive sensitivity analysis with respect to the discount rate, equity weights, different socio economic scenarios and values for the climate sensitivity parameter.