Miracle-dz/UniFAR-FTUs huggingface dataset:
NMR and IR Investigations of Strong Intramolecular Hydrogen Bonds

For the purpose of this review, strong hydrogen bonds have been defined on the basis of experimental data, such as OH stretching wavenumbers, νOH, and OH chemical shifts, δOH (in the latter case, after correction for ring current effects). Limits for O–H···Y systems are taken as 2800 > νOH > 1800 cm−1, and 19 ppm > δOH > 15 ppm. Recent results as well as an account of theoretical advances are presented for a series of important classes of compounds such as β-diketone enols, β-thioxoketone enols, Mannich bases, proton sponges, quinoline N-oxides and diacid anions. The O···O distance has long been used as a parameter for hydrogen bond strength in O–H···O systems. On a broad scale, a correlation between OH stretching wavenumbers and O···O distances is observed, as demonstrated experimentally as well as theoretically, but for substituted β-diketone enols this correlation is relatively weak.
Reconsidering Outward-oriented Development after the Asian Financial Crisis

The recent Asian financial crisis invites a systematic reconsideration of the evidence supporting the strategy of outward-oriented development. The dangers of relying upon foreign markets for goods and capital has escaped critique on the basis of previous studies that credit liberalization with substantial growth benefits, but that evidence is now seriously outdated. Furthermore, export expansion has received extensive attention as a source of growth, but the role of trade deficits in precipitating crises has been ignored. This paper reviews past studies and presents a new statistical analysis to demonstrate that (1) outward-oriented development strategies have a propensity to generate balance of trade deficits, and (2) trade deficits dampen future growth at least as much trade expansion accelerates it. CONFERENCE DRAFT. Before quoting or citing, please contact the author for an updated version at bruce.moon@lehigh.edu C:\Research\Defici ts\conference.draft. wpd
Effect of Plasmapheresis on the Immune System in Endotoxin-Induced Sepsis

Background: It has been proposed that plasmapheresis is most effective when applied early in Gram-negative sepsis. We therefore studied the effect of early plasmapheresis on immunity in experimental Escherichia coli endotoxin-induced sepsis. Methods: 20 pigs received 30 µg/kg of E. coli endotoxin. 40 min later, half of the pigs were treated with plasmapheresis which lasted 4 h. The adhesion molecules, the oxidative burst, the number of neutrophils in blood and lungs, and cytokines were measured. Results: Infusion of endotoxin was associated with activation of adhesion molecules increased oxidative burst, increased concentration of cytokine, and accumulation of granulocytes in lung tissue. Plasmapheresis reduced the oxidative burst, and there was a tendency towards a reduced accumulation of granulocytes in the lung. Conclusion: Though plasmapheresis was initiated early after the endotoxin infusion, it only temporarily attenuated a part of the activated cell-mediated immunity.
Atazanavir plus ritonavir or saquinavir, and lopinavir/ritonavir in patients experiencing multiple virological failures

Objective:To evaluate atazanavir/ritonavir (ATV/RTV) (300/100 mg) once daily, atazanavir/saquinavir (ATV/SQV) (400/1200 mg) once daily, and lopinavir/ritonavir (LPV/RTV) (400/100 mg) twice daily, each with tenofovir (300 mg) once daily and a nucleoside reverse transcriptase inhibitor in treatment-experienced HIV-infected patients. Methods:Randomized, open-label, 48-week multicenter trial of 358 randomized adult patients who had failed two or more prior HAART regimens with baseline HIV RNA ≥ 1000 copies/ml and CD4 cell count ≥ 50 × 106 cells/l. Results:The primary efficacy endpoint [plasma HIV RNA reduction assessed by time-averaged difference (TAD)] was similar for ATV/RTV and LPV/RTV [TAD 0.13; 97.5% confidence interval, −0.12 to 0.39] at 48 weeks. Mean reductions from baseline for ATV/RTV and LPV/RTV were comparable at 1.93 and 1.87 log10 copies/ml, respectively. Mean CD4 cell count increases were 110 and 121 × 106 cells/l for ATV/RTV, and LPV/RTV, respectively. The efficacy of ATV/SQV was lower than LPV/RTV by both these parameters. Declines in total cholesterol and fasting triglycerides were greater with ATV/RTV and ATV/SQV than with LPV/RTV (P ≤ 0.005). Lipids in the LPV/RTV arm at week 48 generally increased from baseline. Lipid-lowering agents were used more frequently in the LPV/RTV arm than in the ATV arms (P < 0.05 versus ATV/RTV), as were antidiarrheal agents (P ≤ 0.04 versus both ATV treatments). No new or unique safety findings emerged. Conclusions:ATV boosted with RTV is as effective and well tolerated as LPV/RTV in treatment-experienced patients, with a more favorable impact on serum lipids. Pharmacokinetically enhanced ATV provides a suitable choice for therapy of treatment-experienced HIV-infected patients.
Smart neural control of uncertain non‐linear systems

In this paper, we present a ‘smart’ neural control scheme for uncertain non‐linear systems using the localized radical basis function (RBF) networks. This scheme is designed such that the current control action can utilize the knowledge that the NN learned from the past control process. Compared with most existing adaptive neural controllers, which are in general very‐high‐order dynamic controllers due to the simultaneous adaptation of a large number of neural weights, the smart RBF neural controller is a static and low‐order one, and thus is more computationally feasible in practical design and implementation. To improve the generalization ability of the RBF networks, which plays an important role in the smart neural control scheme, chaotic reference signals are employed in the training phase of the scheme, where the complex chaotic signals offer richer information for NN learning due to the ergodicity of chaos. The proposed neural control scheme can act ‘smartly’ in the operational phase after the RBF networks have been well‐trained in the training phase, in a way similar to the process that humans accomplish some complicated control tasks easily after the ‘neuro‐controllers’ in their brains have been well‐trained previously. The smart neural control scheme also provides a strong motivation for the current research on chaos generation. Simulation studies are included to demonstrate the effectiveness of the new control scheme. Copyright © 2003 John Wiley & Sons, Ltd.
Asymptotic enumeration of binary matrices with bounded row and column weights

Consider the set A<inf>n</inf> of all n×n binary matrices in which the number of 1's in each row and column is at most n/2. We show that the redundancy, n<sup>2</sup> − log<inf>2</inf> ∣An∣, of this set equals ρn + o(n), for a constant ρ ≈ 1.42515.
Visualizing fewer than 10 mouse T cells with an enhanced firefly luciferase in immunocompetent mouse models of cancer

Antigen specific T cell migration to sites of infection or cancer is critical for an effective immune response. In mouse models of cancer, the number of lymphocytes reaching the tumor is typically only a few hundred, yet technology capable of imaging these cells using bioluminescence has yet to be achieved. A combination of codon optimization, removal of cryptic splice sites and retroviral modification was used to engineer an enhanced firefly luciferase (ffLuc) vector. Compared with ffLuc, T cells expressing our construct generated >100 times more light, permitting detection of as few as three cells implanted s.c. while maintaining long term coexpression of a reporter gene (Thy1.1). Expression of enhanced ffLuc in mouse T cells permitted the tracking of <3 × 104 adoptively transferred T cells infiltrating sites of vaccination and preestablished tumors. Penetration of light through deep tissues, including the liver and spleen, was also observed. Finally, we were able to enumerate infiltrating mouse lymphocytes constituting <0.3% of total tumor cellularity, representing a significant improvement over standard methods of quantitation including flow cytometry.
Local Ca2+ Entry Via Orai1 Regulates Plasma Membrane Recruitment of TRPC1 and Controls Cytosolic Ca2+ Signals Required for Specific Cell Functions

Store-operated Ca²+ entry (SOCE) has been associated with two types of channels: CRAC channels that require Orai1 and STIM1 and SOC channels that involve TRPC1, Orai1, and STIM1. While TRPC1 significantly contributes to SOCE and SOC channel activity, abrogation of Orai1 function eliminates SOCE and activation of TRPC1. The critical role of Orai1 in activation of TRPC1-SOC channels following Ca²+ store depletion has not yet been established. Herein we report that TRPC1 and Orai1 are components of distinct channels. We show that TRPC1/Orai1/STIM1-dependent I(SOC), activated in response to Ca²+ store depletion, is composed of TRPC1/STIM1-mediated non-selective cation current and Orai1/STIM1-mediated I(CRAC); the latter is detected when TRPC1 function is suppressed by expression of shTRPC1 or a STIM1 mutant that lacks TRPC1 gating, STIM1(⁶⁸⁴EE⁶⁸⁵). In addition to gating TRPC1 and Orai1, STIM1 mediates the recruitment and association of the channels within ER/PM junctional domains, a critical step in TRPC1 activation. Importantly, we show that Ca²+ entry via Orai1 triggers plasma membrane insertion of TRPC1, which is prevented by blocking SOCE with 1 µM Gd³+, removal of extracellular Ca²+, knockdown of Orai1, or expression of dominant negative mutant Orai1 lacking a functional pore, Orai1-E106Q. In cells expressing another pore mutant of Orai1, Orai1-E106D, TRPC1 trafficking is supported in Ca²+-containing, but not Ca²+-free, medium. Consistent with this, I(CRAC) is activated in cells pretreated with thapsigargin in Ca²+-free medium while I(SOC) is activated in cells pretreated in Ca²+-containing medium. Significantly, TRPC1 function is required for sustained K(Ca) activity and contributes to NFκB activation while Orai1 is sufficient for NFAT activation. Together, these findings reveal an as-yet unidentified function for Orai1 that explains the critical requirement of the channel in the activation of TRPC1 following Ca²+ store depletion. We suggest that coordinated regulation of the surface expression of TRPC1 by Orai1 and gating by STIM1 provides a mechanism for rapidly modulating and maintaining SOCE-generated Ca²+ signals. By recruiting ion channels and other signaling pathways, Orai1 and STIM1 concertedly impact a variety of critical cell functions that are initiated by SOCE.
Blebbistatin inhibits contraction and accelerates migration in mouse hepatic stellate cells

Background and purpose: Blebbistatin, an inhibitor of myosin‐II‐specific ATPase, has been used to inhibit contraction of invertebrate and mammalian muscle preparations containing non‐muscle myosin. Activated hepatic stellate cells have contractile properties and play an important role in the pathophysiology of liver fibrosis and portal hypertension. Therefore, hepatic stellate cells are considered as therapeutic target cells. In the present study, we studied the effect of blebbistatin during the transition of mouse hepatic stellate cells into contractile myofibroblasts.
Composition and Antimicrobial Activity of Euphrasia rostkoviana Hayne Essential Oil

Eyebright, Euphrasia rostkoviana Hayne (Scrophulariaceae), is a medicinal plant traditionally used in Europe for the treatment of various health disorders, especially as eyewash to treat eye ailments such as conjunctivitis and blepharitis that can be associated with bacterial infections. Some Euphrasia species have been previously reported to contain essential oil. However, the composition and bioactivity of E. rostkoviana oil are unknown. Therefore, in this study, we investigated the chemical composition and antimicrobial activity of the eyebright essential oil against some organisms associated with eye infections: Enterococcus faecalis, Escherichia coli, Klebsiella pneumoniae, Staphylococcus aureus, S. epidermidis, Pseudomonas aeruginosa, and Candida albicans. GC-MS analysis revealed more than 70 constituents, with n-hexadecanoic acid (18.47%) as the main constituent followed by thymol (7.97%), myristic acid (4.71%), linalool (4.65%), and anethole (4.09%). The essential oil showed antimicrobial effect against all organisms tested with the exception of P. aeruginosa. The best activity was observed against all Gram-positive bacteria tested with the minimum inhibitory concentrations of 512 µg/mL. This is the first report on the chemical composition of E. rostkoviana essential oil and its antimicrobial activity.
Using In-Process Testing Metrics to Estimate Post-Release Field Quality

In industrial practice, information on the software field quality of a product is available too late in the software lifecycle to guide affordable corrective action. An important step towards remediation of this problem lies in the ability to provide an early estimation of post-release field quality. This paper evaluates the Software Testing and Reliability Early Warning for Java (STREW-J) metric suite leveraging the software testing effort to predict post-release field quality early in the software development phases. The metric suite is applicable for software products implemented in Java for which an extensive suite of automated unit test cases are incrementally created as development proceeds. We validated the prediction model using the STREW-J metrics via a two-phase case study approach which involved 27 medium-sized open source projects, and five industrial projects. The error in estimation and the sensitivity of the predictions indicate the STREW-J metric suite can be used effectively to predict post-release software field quality.
The Asymptotic Efficiency of Simulation Estimators

A decision-theoretic framework is proposed for evaluating the efficiency of simulation estimators. The framework includes the cost of obtaining the estimate as well as the cost of acting based on the estimate. The cost of obtaining the estimate and the estimate itself are represented as realizations of jointly distributed stochastic processes. In this context, the efficiency of a simulation estimator based on a given computational budget is defined as the reciprocal of the risk (the overall expected cost). This framework is appealing philosophically, but it is often difficult to apply in practice (e.g., to compare the efficiency of two different estimators) because only rarely can the efficiency associated with a given computational budget be calculated. However, a useful practical framework emerges in a large sample context when we consider the limiting behavior as the computational budget increases. A limit theorem established for this model supports and extends a fairly well known efficiency principle,.
Wars, Presidents, and Popularity The Political Cost(s) of War Re-Examined

Extensive research demonstrates that war casualties depress incumbent popularity. The present study argues that analyses of the political costs of warfare should also account for the financial toll of wars since a) financial costs of wars are substantial, b) these costs are publicly observed and understood and c) fiscal policy affects incumbents' approval ratings. Empirical evidence based on US data for the 1948-2008 period supports this theoretical claim: pecuniary costs of warfare either directly affect presidential popularity (e.g., in the Korean War) or their inclusion affects the predicted political cost of war casualties (e.g., in the Korean and Iraq/Afghanistan Wars). Interestingly, the adverse effect of war-spending is strongest under favourable economic conditions (i.e. low unemployment).
Middle School Teachers' Experiences Regarding the Influence of Data on Instruction

Middle School Teachers’ Experiences Regarding the Influence of Data on Instruction by Anne Marie Gwizdak MA, St. Thomas Aquinas College, 2008 BS, St. Thomas Aquinas College, 2007 Doctoral Study Submitted in Partial Fulfillment of the Requirements for the Degree of Doctor of Education Walden University December 2014
Coseismic slip on the southern Cascadia megathrust implied by tsunami deposits in an Oregon lake and earthquake‐triggered marine turbidites

[1] We test hypothetical tsunami scenarios against a 4,600-year record of sandy deposits in a southern Oregon coastal lake that offer minimum inundation limits for prehistoric Cascadia tsunamis. Tsunami simulations constrain coseismic slip estimates for the southern Cascadia megathrust and contrast with slip deficits implied by earthquake recurrence intervals from turbidite paleoseismology. We model the tsunamigenic seafloor deformation using a three-dimensional elastic dislocation model and test three Cascadia earthquake rupture scenarios: slip partitioned to a splay fault; slip distributed symmetrically on the megathrust; and slip skewed seaward. Numerical tsunami simulations use the hydrodynamic finite element model, SELFE, that solves nonlinear shallow-water wave equations on unstructured grids. Our simulations of the 1700 Cascadia tsunami require >12–13 m of peak slip on the southern Cascadia megathrust offshore southern Oregon. The simulations account for tidal and shoreline variability and must crest the ∼6-m-high lake outlet to satisfy geological evidence of inundation. Accumulating this slip deficit requires ≥360–400 years at the plate convergence rate, exceeding the 330-year span of two earthquake cycles preceding 1700. Predecessors of the 1700 earthquake likely involved >8–9 m of coseismic slip accrued over >260 years. Simple slip budgets constrained by tsunami simulations allow an average of 5.2 m of slip per event for 11 additional earthquakes inferred from the southern Cascadia turbidite record. By comparison, slip deficits inferred from time intervals separating earthquake-triggered turbidites are poor predictors of coseismic slip because they meet geological constraints for only 4 out of 12 (∼33%) Cascadia tsunamis.
Dependence for Archimedean copulas and aging properties of their generating functions

This paper details the correspondence between various dependence concepts and stochastic orderings for an Archimedean copula C Φ (x,y) = Φ - 1 {Φ(x) + Φ(y)} and the aging properties of the corresponding life distribution F Φ (t) = 1 - Φ - 1 (t). Various applications of the results are given.
Exploring the effects of employee and organisational characteristics on two models of employee well-being within an organisational health research framework

[Abstract]Research within clinical, organisational and community contexts, generally equates an individual’s sense of well-being with the absence of adverse psychological states. More recently, proponents of ‘positive psychology’ have drawn attention to positive affective states, like happiness and joy. The focus on affective states relates to a Subjective Well-Being (SWB) approach to well-being. In contrast, a Psychological Well-Being (PWB) approach considers the role of mastery and efficacy beliefs, a sense of autonomy and positive relatedness with others, as separate dimensions that are related to SWB. Two studies tested the hypothesis that two affect dimensions of SWB, Positive (PA) and Negative (NA) Affect, were independently related to PWB. In both studies, factor analysis differentiated between items from two SWB and PWB measures, whilst correlations between the well-being factors were moderate. A preliminary study reported PWB to be a significant predictor of SWB after controlling for Demographics and Negative Life Events. A lack of association between Negative Life Events and PA suggests independent effects for two broad SWB dimensions. Using an Organisational Health Research Framework (OHRF), a study of high-school teachers further controlled for a five-factor model of personality and both Positive and Negative Organisational Climate. PWB was still identified as a significant predictor of SWB after controlling for demographic, organisational climate and personality variables. Independent effects on positive and negative SWB dimensions were also identified. Assessing change of both dependent and independent variables with two waves of data supported the independence of SWB outcomes and the strong effect of PWB on SWB across time. Higher levels of PWB were mostly related to better SWB outcomes (lower negative and higher positive SWB states). Although the OHRF proposes reciprocal effects of employee wellbeing and personality on perceptions of climate, the strongest effects were those reported whereby organisational climate and individual characteristics, being mostly independent of each other, strongly predicted employee SWB within and across waves. Implications for future employee well-being research are that organisational interventions need to address reducing negative and improving positive facets of the organisation. Individual interventions which promote PWB components would appear to be a most important avenue by which to improve employee SWB, by reducing NA and improving PA states.
Knockout of Toll-Like Receptor-2 Attenuates Both the Proinflammatory State of Diabetes and Incipient Diabetic Nephropathy

Objective—Type 1 diabetes (T1DM) is a proinflammatory state and confers an increased risk for vascular complications. Toll-like receptors (TLR) could participate in diabetic vasculopathies. Whether TLR activation contributes to the proinflammatory state of T1DM and the pathogenesis of diabetic nephropathy remains unknown. Methods and Results—We induced T1DM in TLR2 knockout mice (TLR2−/−) and wild-type littermates (C57BL/6J-WT) using streptozotocin (STZ). Fasting blood, peritoneal macrophages, and kidneys were obtained for flow cytometry, Western blot, microscopy, and cytokine assays at 6 and 14 weeks after induction of diabetes. Macrophage TLR2 expression and MyD88-dependent signaling were increased in diabetic mice (WT+STZ) compared with nondiabetic WT mice. These biomarkers were attenuated in diabetic TLR2−/− macrophages. WT+STZ mice showed increased kidney:body weight ratio due to cell hypertrophy, increased albuminuria, decreased kidney nephrin, podocin, and podocyte number and increased transforming growth factor-&bgr; and laminin compared with WT mice. Nephrin, podocin, and podocyte number and effacement were restored, and transforming growth factor-&bgr; and laminin levels were decreased in TLR2−/−+ STZ mice kidneys versus WT+STZ. Peritoneal and kidney macrophages were predominantly M1 phenotype in WT+STZ mice; this was attenuated in TLR2−/−+STZ mice. Conclusion—These data support a role for TLR2 in promoting inflammation and early changes of incipient diabetic nephropathy, in addition to albuminuria and podocyte loss.
Iron Fortification of Foods for Infants and Children in Low-Income Countries: Effects on the Gut Microbiome, Gut Inflammation, and Diarrhea

Iron deficiency anemia (IDA) is common among infants and children in Sub-Saharan Africa and is a leading contributor to the global burden of disease, as well as a hindrance to national development. In-home iron fortification of complementary foods using micronutrient powders (MNPs) effectively reduces the risk for IDA by ensuring that the iron needs of infants and young children are met without changing their traditional diet. However, the iron dose delivered by MNPs is high, and comparable on a mg iron per kg body weight to the supplemental doses (2 mg/kg) typically given to older children, which increases diarrhea risk. In controlled studies, iron-containing MNPs modestly increase risk for diarrhea in infants; in some cases, the diarrhea is severe and may require hospitalization. Recent in vitro and in vivo studies provide insights into the mechanism of this effect. Provision of iron fortificants to school-age children and iron-containing MNPs to weaning infants decreases the number of beneficial ‘barrier’ commensal gut bacteria (e.g., bifidobacteria), increases the enterobacteria to bifidobacteria ratio and abundances of opportunistic pathogens (e.g., pathogenic Escherichia coli), and induces gut inflammation. Thus, although iron-containing MNPs are highly effective in reducing IDA, they may increase gastrointestinal morbidity in infants, and safer formulations are needed.