Ab Initio Based O-O Investigation and the Snoek Relaxation in Nb-O

2012 ◽  
Vol 184 ◽  
pp. 63-68 ◽  
Author(s):  
M.S. Blanter ◽  
V.V. Dmitriev ◽  
Andrei V. Ruban
Keyword(s):  
Ab Initio ◽  
Interstitial Atom ◽  
Common Knowledge ◽  
Published Data ◽  
Range Interaction ◽  
Debye Function ◽  
Atom Concentration ◽  
Interstitial Atoms ◽  
The Impact ◽  
Snoek Relaxation

t is common knowledge that interstitial-interstitial interaction influence on the Snoek relaxation. We used a computer simulation of this effect in the Nb-O alloy to test the adequacy of various models of the O-O interaction and clarify the mechanism of this effect The energy calculations in the first twelve coordination shells have been performed by the projector augmented-wave (PAW) method as implemented in the Viennaab initiosimulation package (VASP). The energies have been calculated in different ways which vary in the method of determination the energy of non-interacting O-O pairs. The energies calculated on the various variants are similar but in one case there is O-O repulsion in all first twelve coordination shells, whereas in another one can see attraction in four of twelve shells. Internal frictionQ-1was calculated as a sum of the contributions from individual interstitial atoms in different environments, each of which being assumed to be the Debye function. It is assumed that long-range interaction of oxygen atoms affects the distribution of these atoms and the energy of each interstitial atom in the octahedral interstices before a jump and after a jump. The Monte Carlo method is used for simulating short-range order of interstitial atoms and for calculating values of energy changes. Comparison of the calculated temperature and concentration dependence of the Snoek peak with the published data showed that the PAW supercell calculation of the O-O interactions in Nb describes the behavior of the interstitial solid solution adequately. It proves also that the impact of interstitial atom concentration on the Snoek relaxation is connected to the mutual attraction of these atoms.

Product Innovation and Price Measurement

2018 ◽  
Author(s):  
Paul Stoneman ◽  
Eleonora Bartoloni ◽  
Maurizio Baussola
Keyword(s):  
Product Innovation ◽  
Common Knowledge ◽  
Consumer Price Index ◽  
The United States ◽  
Electronic Products ◽  
Quality Adjustment ◽  
Price Indexes ◽  
Price Measurement ◽  
The Impact ◽  
Methodological Guidelines

This chapter addresses how innovation may affect price measurement—a key issue for the accuracy of measures of principal economic indicators and a long-discussed one. Two main changes related to product innovation are important in this context: new goods (which are often cheaper) are driving old goods out of the market; and new products often offer improved quality. The literature suggests that a failure to properly account for these has added 0.8 percentage points per year to the measured Consumer Price Index in the United States. Quality adjustment approaches in all OECD countries have converged towards general methodological guidelines that represent a common knowledge base. The hedonic methodology is applied in a significant number of countries and for specific categories of goods, in particular electronic products. The use of this approach is exemplified and the impact on price indexes evaluated.

scholarly journals Impact of pharmacist-conducted anticoagulation patient education and telephone follow-up on transitions of care: a randomized controlled trial

2021 ◽  
Vol 21 (1) ◽  
Author(s):  
Lamis R. Karaoui ◽  
Elsy Ramia ◽  
Hanine Mansour ◽  
Nisrine Haddad ◽  
Nibal Chamoun
Keyword(s):  
Tertiary Care ◽  
Intervention Group ◽  
Bleeding Event ◽  
Transitions Of Care ◽  
Control Group ◽  
Published Data ◽  
Post Discharge ◽  
Readmission Rates ◽  
The Impact

Abstract Background There is limited published data in Lebanon evaluating the impact of supplemental education for anticoagulants use, especially DOACs, on clinical outcomes such as bleeding. The study aims to assess the impact of pharmacist-conducted anticoagulation education and follow-up on bleeding and readmission rates. Methods This study was a randomized, non-blinded interventional study conducted between August 2017 and July 2019 in a tertiary care teaching Lebanese hospital. Participants were inpatients ≥18 years discharged on an oral anticoagulant for treatment. Block randomization was used. The control group received the standard nursing counseling while the intervention group additionally received pharmacy counseling. Phone call follow-ups were done on day 3 and 30 post-discharge. Primary outcomes included readmission rates and any bleeding event at day 3 and 30 post-discharge. Secondary outcomes included documented elements of education in the medical records and reported mortality upon day 30 post-discharge. Results Two hundred patients were recruited in the study (100 patients in each study arm) with a mean age of 73.9 years. In the pharmacist-counseled group, more patients contacted their physician within 3 days (14% versus 4%; p = 0.010), received explicit elements of education (p < 0.001) and documentation in the chart was better (p < 0.05). In the standard of care group, patients were more aware of their next physician appointment date (52% versus 31%, p < 0.001). No difference in bleeding rates at day 3 and 30 post-discharge was observed between the groups. Conclusions Although pharmacist-conducted anticoagulation education did not appear to reduce bleeding or readmission rates at day 30, pharmacist education significantly increased patient communication with their providers in the early days post-discharge. Trial registration Lebanon Clinical Trial Registry LBCTR2020033424. Retrospectively registered. Date of registration: 06/03/2020.

scholarly journals Mycosporine-Like Amino Acids from Red Macroalgae: UV-Photoprotectors with Potential Cosmeceutical Applications

2021 ◽  
Vol 11 (11) ◽  
pp. 5112
Author(s):  
Julia Vega ◽  
Geniane Schneider ◽  
Bruna R. Moreira ◽  
Carolina Herrera ◽  
José Bonomi-Barufi ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Amino Acids ◽  
High Performance ◽  
Nitrogen Availability ◽  
Antioxidant Properties ◽  
Published Data ◽  
Diverse Group ◽  
Red Macroalgae ◽  
Thermo Stability ◽  
The Impact

Macroalgae belong to a diverse group of organisms that could be exploited for biomolecule application. Among the biocompounds found in this group, mycosporine-like amino acids (MAAs) are highlighted mainly due to their photoprotection, antioxidant properties, and high photo and thermo-stability, which are attractive characteristics for the development of cosmeceutical products. Therefore, here we revise published data about MAAs, including their biosynthesis, biomass production, extraction, characterization, identification, purification, and bioactivities. MAAs can be found in many algae species, but the highest concentrations are found in red macroalgae, mainly in the order Bangiales, as Porphyra spp. In addition to the species, the content of MAAs can vary depending on environmental factors, of which solar radiation and nitrogen availability are the most influential. MAAs can confer photoprotection due to their capacity to absorb ultraviolet radiation or reduce the impact of free radicals on cells, among other properties. To extract these compounds, different approaches can be used. The efficiency of these methods can be evaluated with characterization and identification using high performance liquid chromatography (HPLC), associated with other apparatus such as mass spectrometry (MS) and nuclear magnetic resonance (NMR). Therefore, the data presented in this review allow a broad comprehension of MAAs and show perspectives for their inclusion in cosmeceutical products.

scholarly journals The Irish National Adverse Event Study-2 (INAES-2): longitudinal trends in adverse event rates in the Irish healthcare system

2021 ◽  
pp. bmjqs-2020-011122 ◽  
Author(s):  
Warren Connolly ◽  
Natasha Rafter ◽  
Ronan M Conroy ◽  
Cornelia Stuart ◽  
Anne Hickey ◽  
...  
Keyword(s):  
Adverse Event ◽  
Adverse Events ◽  
Positive Impact ◽  
Retrospective Chart Review ◽  
Published Data ◽  
National Programmes ◽  
Event Rates ◽  
Hospital Associated Infections ◽  
Design And Methods ◽  
The Impact

ObjectivesTo quantify the prevalence and nature of adverse events in acute Irish hospitals in 2015 and to assess the impact of the National Clinical Programmes and the National Clinical Guidelines on the prevalence of adverse events by comparing these results with the previously published data from 2009.Design and methodsA retrospective chart review of 1605 admissions to eight Irish hospitals in 2015, using identical methods to those used in 2009.ResultsThe percentage of admissions associated with one or more adverse events was unchanged (p=0.48) at 14% (95% CI=10.4% to 18.4%) in 2015 compared with 12.2% (95% CI=9.5% to 15.5%) in 2009. Similarly, the prevalence of preventable adverse events was unchanged (p=0.3) at 7.4% (95% CI=5.3% to 10.5%) in 2015 compared with 9.1% (95% CI=6.9% to 11.9%) in 2009. The incidence densities of preventable adverse events were 5.6 adverse events per 100 admissions (95% CI=3.4 to 8.0) in 2015 and 7.7 adverse events per 100 admissions (95% CI=5.8 to 9.6) in 2009 (p=0.23). However, the percentage of preventable adverse events due to hospital-associated infections decreased to 22.2% (95% CI=15.2% to 31.1%) in 2015 from 33.1% (95% CI=25.6% to 41.6%) in 2009 (p=0.01).ConclusionAdverse event rates remained stable between 2009 and 2015. The percentage of preventable adverse events related to hospital-associated infection decreased, which may represent a positive impact of the related national programmes and guidelines.

scholarly journals Isolation and structural elucidation of dimeric epigallocatechin-3-gallate autoxidation products and their antioxidant capacity

2021 ◽  
Author(s):  
Julian Alfke ◽  
Uta Kampermann ◽  
Svetlana Kalinina ◽  
Melanie Esselen
Keyword(s):  
Antioxidant Capacity ◽  
Antioxidant Properties ◽  
Cd Spectroscopy ◽  
Trolox Equivalent Antioxidant Capacity ◽  
Published Data ◽  
Dietary Polyphenols ◽  
Cellular Effects ◽  
The Impact

AbstractDietary polyphenols like epigallocatechin-3-gallate (EGCG)—which represents the most abundant flavan-3-ol in green tea—are subject of several studies regarding their bioactivity and health-related properties. On many occasions, cell culture or in vitro experiments form the basis of published data. Although the stability of these compounds is observed to be low, many reported effects are directly related to the parent compounds whereas the impact of EGCG degradation and autoxidation products is not yet understood and merely studied. EGCG autoxidation products like its dimers theasinensin A and D, “P2” and oolongtheanin are yet to be characterized in the same extent as their parental polyphenol. However, to investigate the bioactivity of autoxidation products—which would minimize the discrepancy between in vitro and in vivo data—isolation and structure elucidation techniques are urgently needed. In this study, a new protocol to acquire the dimers theasinensin A and D as well as oolongtheanin is depicted, including a variety of spectroscopic and quadrupole time-of-flight high-resolution mass spectrometric (qTOF-HRMS) data to characterize and assign these isolates. Through nuclear magnetic resonance (NMR) spectroscopy, polarimetry, and especially circular dichroism (CD) spectroscopy after enzymatic hydrolysis the complementary atropisomeric stereochemistry of the isolated theasinensins is illuminated and elucidated. Lastly, a direct comparison between the isolated EGCG autoxidation products and the monomer itself is carried out regarding their antioxidant properties featuring Trolox equivalent antioxidant capacity (TEAC) values. These findings help to characterize these products regarding their cellular effects and—which is of special interest in the flavonoid group—their redox properties.

Biodynamic Modeling of a Pedestrian Impact With a Rigid Frontal Guard of a Utility Vehicle

2010 ◽  
Author(s):  
Rasoul Moradi ◽  
Chandrashekhar K. Thorbole ◽  
Michael McCoy ◽  
Hamid M. Lankarani
Keyword(s):  
Front Surface ◽  
Body Region ◽  
Computational Technique ◽  
Surface Model ◽  
Published Data ◽  
Factors Affecting ◽  
Light Trucks ◽  
Accident Data ◽  
Facet Surface ◽  
The Impact

Accident data reveals that in most pedestrian accidents, the pedestrian head and lower extremity are vulnerable to serious injuries. The vehicle front geometry profile as well as the impact speed are important factors affecting the pedestrian kinematics and injury potential. In the US, accident data also shows that the fatality rate for pedestrian/light trucks and vans (LTV) impact is greater than that for the pedestrian/passenger-car impact. Addition of a front guard on light trucks and sports utility vehicles to mitigate damage during off-road activity or to provide mounting points for extra lights, makes the pedestrian more vulnerable to the impact. In this paper, a computational technique is utilized to study the influence of the added front guard on the impacted pedestrian. A CAD model of a typical commercial frontal guard is developed and converted into a rigid facet model, and attached to the vehicle front. The validated standing dummy model in the MADYMO code is used to simulate a pedestrian, and the rigid facet-surface model of a pickup truck is used to generate a vehicle front surface. This computational model is validated by comparing the pedestrian kinematics with the published data. This study demonstrates that the pedestrian mid body region is more vulnerable with the addition of guard on the vehicle. The result from this study facilitates a better understanding of a guard design and its geometry profile as required to protect vulnerable road users.

Toward a Smart Organization, Integrating KM Processes and Organizational Capabilities

2022 ◽  
Vol 14 (1) ◽  
pp. 0-0
Keyword(s):  
Structural Equation ◽  
Common Knowledge ◽  
Organizational Capabilities ◽  
Equation Modeling ◽  
Direct Impact ◽  
Suggested Model ◽  
Mediating Role ◽  
The Impact ◽  
Telecommunications Companies

It is common knowledge that organizations today face the challenges of growing competition. Therefore, organizations need to develop smarter to plan for several diverse and real-time challenges. The aim of this paper is to test the impact of knowledge management (KM) processes, organizational capabilities (OC), and mediating KM mechanisms and KM technologies toward a smart organization (SO). In this paper, structural equation modeling was applied by using Smart PLS 3.3.3 software to test hypotheses and the accuracy of the suggested model. The results showed a direct impact between all constructs and are a reflection of the SO of the employees (N=225) working in three Jordanian telecommunications companies. Additionally, the outcomes provision the partial mediating role of KM mechanisms and KM technology with OC in the SO. These outcomes can support leaders in generating a consciousness in addition to favorable OC, KM mechanisms, and KM technologies inside the organization, which enables the actual implementation of SO and uses the outcomes to plan their SO strategies.

scholarly journals Are In Vitro Susceptibilities to Azole Antifungals Predictive of Clinical Outcome in the Treatment of Candidemia?

2018 ◽  
Vol 56 (12) ◽  
Author(s):  
Twisha S. Patel ◽  
Peggy L. Carver ◽  
Gregory A. Eschenauer
Keyword(s):  
Invasive Candidiasis ◽  
Randomized Trials ◽  
Published Data ◽  
Murine Models ◽  
Limited Data ◽  
Content Type ◽  
Clinical Breakpoints ◽  
The Impact ◽  
The Relationship

ABSTRACT The purpose of this review is to critically analyze published data evaluating the impact of azole pharmacokinetic and pharmacodynamic parameters, MICs, and Candida species on clinical outcomes in patients with candidemia. Clinical breakpoints (CBPs) for fluconazole and voriconazole, which are used to determine susceptibility, have been defined by the Clinical and Laboratory Standards Institute (CLSI) for Candida species. Studies evaluating the relationship between treatment efficacy and in vitro susceptibility, as well as the pharmacodynamic targets, have been conducted in patients treated with fluconazole for candidemia; however, for species other than Candida albicans and Candida glabrata, and for other forms of invasive candidiasis, data remain limited and randomized trials are not available. Limited data evaluating these relationships with voriconazole are available. While pharmacodynamic targets for posaconazole and isavuconazole have been proposed based upon studies conducted in murine models, CBPs have not been established by CLSI. Fluconazole remains an important antifungal agent for the treatment of candidemia, and data supporting its use based on in vitro susceptibility are growing, particularly for C. albicans and C. glabrata. Further investigation is needed to establish the roles of voriconazole, posaconazole, and isavuconazole in the treatment of candidemia and for all agents in the treatment of other forms of invasive candidiasis.

149 Use of Risk Model for Assessment of Residents Perception of Complexity of Surgical Steps

Neurosurgery ◽  
2015 ◽  
Vol 62 (CN_suppl_1) ◽  
pp. 214-214
Author(s):  
Ahmed M. Raslan ◽  
Jeffrey Steven Raskin ◽  
Jesse Jia-Xin Liu
Keyword(s):  
High Risk ◽  
Operative Time ◽  
Resident Education ◽  
Comfort Level ◽  
Matrix Analysis ◽  
Published Data ◽  
Dependent Manner ◽  
Risk Matrix ◽  
Danger Zone ◽  
The Impact

Abstract INTRODUCTION: Quality improvement projects have begun to standardize surgical work flow as a component to optimize operative room (OR) efficiency. Removing special cause variability resulting from nonsurgical waste is an obvious target; however, surgical resident education must be maintained even in the setting of process improvement. There are no published data describing the impact on operative time of resident-identified risky or uncomfortable procedural steps during posterior instrumented fusion (PIF). Self-identification of risk or discomfort in surgical steps may allow for shorter OR time and reduced cost, without sacrificing resident education. METHODS: PIF procedure steps were defined. An 8 two-part question survey regarding surgeon comfort level and perceived risk assessment at each step was developed, and completed by junior (17) and senior residents (10), and faculty (6) from orthopedic and neurological surgeons. A risk matrix was constructed defining 2 zones, a “danger zone” where responses were both high risk (3–5) and low comfort (1–3) and a “safe zone” where responses were low risk (1–2) and high comfort (4–5). One-tailed χ2 with Yates correction was performed. RESULTS: Risk matrix analysis showed a statistical difference among danger zone respondents between junior resident and faculty groups for exposure, pedicle screw placement, neural decompression, interbody placement, posterolateral fusion, and hemostasis (Table 2). Radar graph identifies percentage of respondents who fall within the danger zone (Figure 1). CONCLUSION: Resident perception of surgical complexity can be evaluated for procedural steps using a risk matrix survey. For PIF, residents assign more risk and are less comfortable performing steps in a training-dependent manner. Identification of particular high-risk steps, which are uncomfortable, should prompt strict faculty oversight to improve patient safety, monitor resident education, and reduce operative time.

Endoscopic pituitary surgery: a systematic review and meta-analysis

2009 ◽  
Vol 111 (3) ◽  
pp. 545-554 ◽  
Author(s):  
Abtin Tabaee ◽  
Vijay K. Anand ◽  
Yolanda Barrón ◽  
David H. Hiltzik ◽  
Seth M. Brown ◽  
...  
Keyword(s):  
Systematic Review ◽  
Meta Analysis ◽  
Pituitary Surgery ◽  
Small Sample ◽  
Csf Leak ◽  
Tumor Control ◽  
Published Data ◽  
Complication Rates ◽  
Short Term ◽  
The Impact

Object Surgery on the pituitary gland is increasingly being performed through an endoscopic approach. However, there is little published data on its safety and relative advantages over traditional microscope-based approaches. Published reports are limited by small sample size and nonrandomized study design. A meta-analysis allows for a description of the impact of endoscopic surgery on short-term outcomes. Methods The authors performed retrospective review of data from their institution as well as a systematic review of the literature. The pooled data were analyzed for descriptive statistics on short-term outcomes. Results Nine studies (821 patients) met inclusion criteria. Overall, the pooled rate of gross tumor removal was 78% (95% CI 67–89%). Hormone resolution was achieved in 81% (95% CI 71–91%) of adrenocorticotropic hormone secreting tumors, 84% (95% CI 76–92%) of growth hormone secreting tumors, and 82% (95% CI 70–94%) of prolactin secreting tumors. The pooled complication rates were 2% (95% CI 0–4%) for CSF leak and 1% (95% CI 0–2%) for permanent diabetes insipidus. There were 2 deaths reported in the literature that were both related to vascular injury, giving an overall mortality rate of 0.24%. Conclusions The results of this meta-analysis support the safety and short-term efficacy of endoscopic pituitary surgery. Future studies with long-term follow-up are required to determine tumor control.

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