bluuebunny/crossref_metadata_2025 huggingface dataset:
Large fungating basal cell carcinoma of the dorsum of the foot: A case report
Authors: Mamtani Rishi , Addagatla Kamal , Volpicelli Elgida R. , Dong Xiang Da (Eric) , Juriga Matthew
Published: September 2018

Key Clinical Message

Basal cell carcinoma is the most common skin cancer, but may present as anatomically and pathologically unique variants. A careful understanding of the pathophysiology, meticulous preoperative planning, and the use of unique reconstructive techniques to preserve function and cosmesis are key in achieving a satisfactory oncologic result.
Sustainable Electrocatalytic Oxidant‐Free Syntheses of Thiosulfonates from Thiols
Authors: Yang Zhongzhen , Shi Yuesen , Zhan Zhen , Zhang Hao , Xing Huimin , Lu Runxin , Zhang Yiming , Guan Mei , Wu Yong
Published: September 2018

A novel, efficient and eco‐friendly synthetic strategy for the preparation of thiosulfonates by electrochemical oxidation of thiols is presented. This method enabled thiosulfonates formation under catalyst‐ and oxidant‐ free conditions. The electrochemical oxidizing reaction exhibits a good functional group compatibility and broad scope, hence, providing accesses to various disulfides (31 examples) and thiosulfonates (23 examples). The reactions proceeded under simple and mild reaction conditions, and could be scaled up to the gram‐scale. They are also applicable in the late‐stage synthesis of bioactive molecules.
Bioleaching zum Recycling von Sekundärrohstoffen
Authors: Auerbach Romy , Bokelmann Katrin , Stauber Rudolf , Schnell Sylvia , Ratering Stefan , Werner Arite , Haseneder Roland , Vostal Radek , Bertau Martin , Gellermann Carsten
Published: September 2018

Rohstoffe werden überwiegend aus Primärquellen gewonnen. Die konventionelle Gewinnung erfolgt derzeit zumeist mit Hilfe aufwendiger hydrometallurgischer Verfahren, die einen hohen Einsatz an Säuren benötigen und erhebliche Probleme bei der Entsorgung der Abwässer verursachen. Eine deutlich umweltfreundlichere und kostengünstigere Methode stellt das Bioleaching dar. Mit Hilfe von Mikroorganismen können die Wertmetalle aus Primär‐ und auch aus Sekundärquellen gelöst werden. Eine nachgeschaltete effiziente Aufreinigung und Separation der Wertstoffe kann durch gezielt designte Solventextraktionen oder Membrantechniken erfolgen.
Recycling von Li‐Ionen‐Batterien
Authors: Bokelmann Katrin , Horn Daniel , Zimmermann Jörg , Gellermann Carsten , Stauber Rudolf
Published: September 2018

In der Fraunhofer‐Projektgruppe für Wertstoffkreisläufe und Ressourcenstrategie IWKS wird ein innovatives elektrohydraulisches Verfahren entwickelt, um wertvolle Funktionsmaterialien möglichst ressourcenschonend zurückzugewinnen und wieder für neue Produkte einzusetzen. Ziel der Bestrebungen ein robuster Prozess mit geringem Kostenaufwand für ein breites Anwendungsgebiet. Aktuell wird das Verfahren bezüglich seines Potenzials zum Recycling von Li‐Ionen‐Batterien untersucht.
The effect of greenhouse gas emissions on cost of debt: Evidence from Canadian firms
Authors: Maaloul Anis
Published: September 2018

The aim of this paper is to investigate the relation between greenhouse gas (GHG) emissions and cost of debt and to estimate the cost that lenders are imputing to GHG emissions. Data on GHG emissions were hand‐collected from Carbon Disclosure Project reports, whereas data on the cost of debt and other financial data were obtained from Bloomberg Professional database. Using a sample of Canadian firms, the results show that GHG emissions increase firms' cost of debt. In other words, for each additional tonne of GHG emissions, the cost of debt increases on average by 11–15%. These results imply that creditors incorporate firms' GHG emissions into their lending decisions and they penalize the polluting firms. This could encourage firms to reduce and manage their GHG emissions because there is a cost associated with these emissions. This study is one of the first to examine the relationship between GHG emissions and the cost of debt.
The involvement of telecommunication industry in the road to corporate sustainability and corporate social responsibility commitment
Authors: Arrive Tsitaire Jean , Feng Mei , Yan Yafen , Chege Samwel Macharia
Published: September 2018

The study analyzes the importance of corporate social responsibility (CSR) for corporate sustainability through business image risk, taking into consideration the stakeholders and corporate image and reputation under different management of CSR commitment of Chinese telecommunication industry. From 154 respondents selected from Chaoyang and Haidian, two of the largest district in Beijing, China, in a survey, the study relied on company's internal and external CSR practices as the framework. The results proved that the presence of CSR practices in relation to business strategies had a significant impact on business image revalorization with employees and customers. It also found that adherence of CSR creates an internal dynamic to the company's internal image and as a strategy makes it possible to provide a positive image towards the customers' external image. This paper has implications for various audiences such as employees and customers and can help businesses better understand the significance of adopting constructive CSR initiatives.
Investigating and analysing the factors affecting the development of sustainable supply chain model in the industrial sectors
Authors: Andalib Ardakani Davood , Soltanmohammadi Asieh
Published: September 2018

The growing demands for goods, which has been accompanied with a negative effect on the environment and society as it escalates the environmental social disasters, has led to the increased pressure on supply chains to be sustainable. Due to the significance of sustainability, this study attempted to investigate the drivers of sustainable supply chain Management through proposing a conceptual model based on six hypotheses. An 18‐item questionnaire were completed by 91 experts in the industry, the results of which were analysed using the partial least square‐path modelling. The results of path modelling indicated that green product development is effective on the social issue through the environmental performance management and the green supply chain management. Moreover, the environmental performance management was found to be directly affected by the green supply chain management. Consequently, some implications were suggested regarding the significance of sustainable supply chain management and the manager's practice.
Chemical Interaction in Nitrogen‐Doped Graphene Quantum Dots/Graphitic Carbon Nitride Heterostructures with Enhanced Photocatalytic H2 Evolution
Authors: Mou Zhigang , Lu Cheng , Yu Kevin , Wu Hao , Zhang Hui , Sun Jianhua , Zhu Mingshan , Cynthia Goh M.
Published: September 2018

Strong electronic coupling between graphene quantum dots (GQDs) and graphitic carbon nitride (g‐C3N4) enables multiple charge transfer pathways, offers a new approach for light harvesting, and opens novel applications for carbon‐based materials. Herein, a nitrogen‐doped graphene quantum dots (NGQDs)/g‐C3N4 composite is designed by stitching NGQDs with g‐C3N4 through a thermal condensation approach, which conjugate via NGQDs‐lone pair electrons in a ternary N‐g‐C3N4 nanosheet (π–p–π) network. It is found that the H2 evolution rate under visible light (λ ≥ 420 nm) irradiation with NGQDs/g‐C3N4 is nearly 7.7, 7.2, and 2.5 times higher than that of pristine g‐C3N4, the mixture of NGQD and g‐C3N4, and a non‐nitrogen‐doped GQDs/g‐C3N4 composite, respectively. Due to better light harvesting in the NGQDs/g‐C3N4 composite, higher photocatalytic activities are also observed compared to others when they are illuminated by 520 and 550 nm light. It is demonstrated that the electronic coupling between NGQDs and g‐C3N4 generates new bands, driving the charge transfer along the π–p–π network and extending the visible light response range.
Simultaneous confidence bands: Theory, implementation, and an application to SVARs
Authors: Montiel Olea José Luis , Plagborg‐Møller Mikkel
Published: September 2018

Simultaneous confidence bands are versatile tools for visualizing estimation uncertainty for parameter vectors, such as impulse response functions. In linear models, it is known that that the sup‐t confidence band is narrower than commonly used alternatives—for example, Bonferroni and projection bands. We show that the same ranking appliesasymptoticallyeven in general nonlinear models, such as vector autoregressions (VARs). Moreover, we provide further justification for the sup‐t band by showing that it is the optimal default choice when the researcher does not know the audience's preferences. Complementing existing plug‐in and bootstrap implementations, we propose a computationally convenient Bayesian sup‐t band with exact finite‐sample simultaneous credibility. In an application to structural VAR impulse response function estimation, the sup‐t band—which has been surprisingly overlooked in this setting—is at least 35% narrower than other off‐the‐shelf simultaneous bands.
Extended warm temperate zone and opportunities for cropping system change in the Loess Plateau of China
Authors: Liu Zhengjia , Liu Yansui , Li Yurui
Published: September 2018

Thermal condition changes largely affect crop phenology, cropping systems and crop field. In this study, we used long‐term (1961–2015) annual accumulated temperature ≥10 °C (AAT10) derived from daily gridded air temperature to investigate the potential implication of AAT10 changes for regional agriculture development in the Loess Plateau (LP). Results showed that an elevation‐dependent spatial pattern of AAT10 was observed. Southeastern LP with low elevation had higher AAT10 and western LP with high elevation had lower AAT10. Across the LP, the start date of 5‐day moving average temperature () ≥10 °C (SDT10) showed significantly advanced trends (p < 0.05), and length of durations of  ≥ 10 °C (LDT10) and AAT10 both showed significantly increased trends (p < 0.05) in the past 55 years. Yet significantly delayed end date of  ≥ 10 °C (EDT10) was not observed. Compared with EDT10, STD10 contributed more to variations of LDT10 (R2 = 0.76, p < 0.01) and AAT10 (R2 = 0.64, p < 0.01). Besides, this study found that increased temperature in corresponding LDT10 was also responsible for AAT10 increase. Spring temperature contributed more to AAT10 increase relative to autumn and summer temperature. Importantly, area of warm temperate zone (AAT10 ranging 3,400–4,500 °C·day) across LP increased from 21.0% in 1960s to 50.3% in 2000–2015 due to climate change. These findings suggest that most LP, especially in regions with good soil conditions and sufficient water resources, had a large potential to develop new cropping systems with two crops per year, which will be helpful for optimizing regional land use and providing decisions on agricultural management.
Establishment of an in vivo turkey model for the study of flexor tendon repair
Authors: Kadar Assaf , Liu Haoyu , Vrieze Alyssa M. , Meier Thomas R. , Thoreson Andrew R. , Amadio Peter C. , Moran Steven L. , Zhao Chunfeng
Published: September 2018

Flexor tendon injuries are common and pose a clinical challenge for functional restoration. The purpose of our study was to assess the adequacy of the turkey as a large animal model for flexor tendon injuries in vivo. Twenty‐four male turkeys underwent surgical flexor tendon cut and repair. Turkeys were allocated to five groups postoperatively: (1) foot casted in extension and sacrificed after 3 weeks; (2) foot casted in extension and sacrificed after 6 weeks; (3) foot casted in flexion and sacrificed after 3 weeks; (4) foot casted in flexion and sacrificed after 6 weeks; and (5) foot casted in flexion for 6 weeks and then free roaming allowed for an additional 3 weeks before sacrifice. After sacrifice, digits were collected and analyzed for adhesion formation, healing at the macrolevel and histologically, and biomechanical properties—including friction, work of flexion, stiffness, and strength of repair. All turkeys survived anesthesia and surgery. Tendon rupture occurred in all extension casts and in 11% of those casted in flexion. Friction and work of flexion were significantly higher in the repaired digit than the control digit. There was a correlation between duration of immobilization and repair strength. Histologically, the tendon healed with tenocytes migrating into the gap and producing collagen fibers. We have, for the first time, studied flexor tendon injury and repair using turkeys in terms of anesthesia, surgical procedures, postoperative care, and animal husbandry. The findings regarding functional and histological results from this novel avian model were comparable to the most commonly used mammal model. © 2018 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:2497–2505, 2018.
Three‐dimensional mapping of the joint space for the diagnosis of knee osteoarthritis based on high resolution computed tomography: Comparison with radiographic, outerbridge, and meniscal classifications
Authors: Mezlini‐Gharsallah Houda , Youssef Rabaa , Uk Stéphanie , Laredo Jean D. , Chappard Christine
Published: September 2018

One of the most important characteristic of knee osteoarthritis (OA) is the joint space (JS) width narrowing. Measurements are usually performed on two dimensional (2D) X‐rays. We propose and validate a new method to assess the 3D joint space at the medial knee compartment using high resolution peripheral computed tomography images. A semi‐automated method was developed to obtain a distance 3D map between femur an tibia with the following parameters: volume, minimum, maximum, mean, standard deviation, median, asymmetry, and entropy. We analyzed 71 knee specimens (mean age: 85 years), radiographs were performed for the Kellgren Lawrence (KL) score grading. In a subgroup of 41 specimens, the histopathological Outerbridge and meniscal classifications were performed and then cores were harvested from the tibial plateau in three different positions (posterior, central, and peripheral) and imaged at 10 µm of resolution to measure the cartilage thickness. Minimum, maximum, mean, and median were statistically lower and entropy higher between knee specimens classified as KL = 0 and KL = 3–4. Gr1 and 2 were statistically different from Gr3‐4 for minimum, asymmetry, entropy using the Outerbridge classification and Gr1 was statistically different from Gr3–4 using the meniscal classification. Asymmetry, minimum, mean, median and entropy were significantly correlated with cartilage thickness. Parameters extracted from a 3D map of the medial joint space indicate local variations of JS and are related to local measurements of tibial cartilage thickness, and could be consequently useful to identify early OA. © 2018 The Authors. Journal of Orthopaedic Research® Published by Wiley Periodicals, Inc. on behalf of Orthopaedic Research Society. J Orthop Res 36:2380–2391, 2018.
Thorax x‐ray and CT interventional dataset for nonrigid 2D/3D image registration evaluation
Authors: Xia Wei , Jin Qingpeng , Ni Caifang , Wang Yanling , Gao Xin
Published: September 2018

Purpose

The aim of this paper is to provide a novel, publicly available standard image dataset with a useful evaluation framework for assessing nonrigid two‐/three‐dimensional (2D/3D) registration algorithms.

Acquisition and validation methods

A pig lung model was used to obtain the image dataset. Inflated with different amounts of oxygen, a sequence of 3D volume data was acquired with computed tomography (CT), which ideally simulated different respiratory phases. With the model inflated and kept in certain states, 3D CT, 2D CT scout image and 2D x‐ray were acquired for the same respiratory phases, making them suitable to establish the evaluation dataset for 2D/3D registration algorithms. A total of 120 well‐distributed landmarks in every 3D volume were manually annotated and checked by several radiologists using semi‐automatic software to generate the dataset.

Data format and usage notes

All 3D image data were stored in both DICOM and ITK Meta format, and 2D image data were stored in DICOM format. A total of 120 landmarks were manually annotated for each 3D image. Among these landmarks, eight landmarks located on large branch of the bronchial tree were also annotated in 2D images. The landmark coordinates were stored in a text file. The detailed usage including a standard evaluation framework for the proposed dataset is also provided. The dataset can be downloaded from the Zenodo repository (https://doi.org/10.5281/zenodo.997887).

Potential applications

Our standard dataset was acquired with advanced clinical imaging devices and is quite suitable for quantitatively evaluating state‐of‐art, nonrigid 2D/3D registration algorithms.
Increased clinical trial enrollment among adolescent and young adult cancer patients between 2006 and 2012–2013 in the United States
Authors: Parsons Helen M. , Penn Dolly C. , Li Qian , Cress Rosemary D. , Pollock Brad H. , Malogolowkin Marcio H. , Wun Ted , Keegan Theresa H.M.
Published: September 2018

Background

Stagnant outcomes for adolescents and young adults (AYAs) 15–39 years of age with cancer are partly attributed to poor enrollment onto clinical trials. Initiatives have focused on increasing accrual, but changes at the population‐level are unknown. We examined patterns of clinical trial participation over time in AYA patients with cancer.

Procedure

We utilized medical record data from AYAs in two population‐based National Cancer Institute Patterns of Care Studies identified through the Surveillance, Epidemiology and End Results Program. Among 3135 AYAs diagnosed with non‐Hodgkin lymphoma (NHL), Hodgkin lymphoma, acute lymphoblastic leukemia (ALL), and sarcoma, we used multivariate logistic regression to evaluate patient and provider characteristics associated with clinical trial enrollment. Interaction terms evaluated variation in clinical trial enrollment across patient and provider characteristics by year of diagnosis.

Results

From 2006 to 2012–2013, clinical trial participation increased from 14.8% to 17.9% (P < 0.01). Adjusting for patient and provider characteristics, we found lower clinical trial enrollment among those who were older at diagnosis, diagnosed with NHL vs ALL, treated by adult hematologist/oncologists only (vs pediatric hematologist/oncologists), and of non‐Hispanic Black race/ethnicity (vs non‐Hispanic White) (P < 0.05 for all). Interaction analyses indicate improved clinical trial enrollment from 2006 to 2012–2013 among young adults 25–29 years of age and the uninsured.

Conclusions

Although disparities in enrollment onto clinical trials remain for AYAs with cancer, our study identified increasing overall clinical trial participation over time. Further, we identify promising trends in enrollment uptake among AYAs 25–29 years of age and the uninsured.
Data visualization for reliability analysis of repairable systems
Authors: Gámiz María Luz , López‐Montoya Antonio Jesús , Martínez‐Miranda María Dolores , Raya‐Miranda Rocío
Published: September 2018

The objective of this paper is to find out possible patterns of failure occurrences in a repairable system. We develop a graphical exploratory tool and perform visual inference considering non‐parametric local linear kernel estimators for the rate of occurrence of failures (ROCOF) and its first derivative. The shape characteristics of the ROCOF function are distinguished from those which are merely an artefact of the sampling variability of the data through the construction of confidence intervals for the first derivative. The proposal is illustrated with several real data sets, and its performance is evaluated through an extensive simulation study.
Partial characterization of the exopolysaccharide from Oscillatoria trichoides Szafer and the role of released polysaccharide in sequestration of Cr6+
Authors: Miranda Jyothi , Krishnakumar G.
Published: September 2018

The structural investigation and the chromium adsorptive potential of an exopolysaccharide (EPS) released during the growth of an indigenous cyanobacterium, Oscillatoria trichoides Szafer, were investigated in a laboratory‐scale study. The results showed that, of the total EPS produced, 410.53 milligrams/gram (mg g−1) were released polysaccharides (RPS) and 11.36 mg g−1 were capsular polysaccharides (CPS). The sorption of hexavalent chromium (Cr6+) by the RPS achieved a maximum amount of metal removal (qmax) value of 76.92 mg g−1 of polysaccharide dry weight. The highest coefficient of determination (0.9742) for the Langmuir adsorption model indicates best fitness of the model in explaining the sorption as a unilayer process. Equilibrium studies indicated that 30 to 40 milligrams per liter initial chromium concentration and a pH of 2 were optimal for biosorption of chromium by the RPS. Scanning electron microscopy with energy‐dispersive X‐ray spectroscopy analysis of Cr6+‐treated RPS showed the presence of 3.76% bound chromium. Compositional analysis of the EPS showed the presence of carbohydrates, proteins, pyruvic acid, and hexosamines. High‐performance liquid chromatography analysis demonstrated the presence of hexoses, as neutral sugars and glucuronic acid as an acidic sugar. The presence of carboxylic groups was also detected by infrared spectroscopy. The presence of these chemical constituents may serve as binding sites for the metal ions; therefore, the RPS of this species appears to be a promising biosorbent for Cr6+.
Behavior of As, Cd, Co, Cr, Cu, Pb, Ni, and Zn at the soil/plant interface around an uncontrolled landfill (Casablanca, Morocco)
Authors: Fait Sofia , Fakhi Said , ElMzibri Mohammed , Malek Omar Ait , Rachdi Bouchra , Faiz Zineb , Fougrach Hassan , Badri Wadia , Smouni Abdelaziz , Fahr Mouna
Published: September 2018

The present work undertaken in the environmental context aims to study the distribution of heavy metals in plants that grow naturally around uncontrolled landfills. The study's goal was to identify plants that can be used to remediate contaminated soils. For this purpose, 14 plants species and their rhizospheric soil samples were collected and analyzed for arsenic, cadmium, cobalt, chromium, copper, lead, nickel, and zinc by inductively coupled plasma‐atomic emission spectrometry. The results showed the presence of elevated metal concentrations in soil, many exceeding the regulatory values, and that many species exhibited an ability to accumulate multiple metals in their shoots and roots without sustaining toxicity. This was confirmed by bioconcentration and translocation factors generally higher than 1.
A secure authentication with key agreement scheme using ECC for satellite communication systems
Authors: Qi Mingping , Chen Jianhua , Chen Yitao
Published: September 2018

Recently, Liu et al came up with an authentication with key agreement scheme for securing communication over the low‐earth‐orbit satellite communication systems. However, this paper demonstrates that this scheme cannot provide perfect forward secrecy or defend against the smart card stolen attack, and has some very bad design defects, making it unpractical. Thus, to design a truly secure authentication scheme for satellite communication systems, this paper presents a new scheme, making use of the advantages of elliptic curve cryptography and symmetric cryptography. The security analyses by the widely used BAN logic and heuristic discussions demonstrate that our new scheme possesses perfect security properties and can defend against various well‐known malicious attacks. Moreover, our new scheme allows users to update passwords locally in accordance with their wishes, achieving a good user experience.
Stereoselective Total Synthesis of (–)–6–epi–Hygrophorone B14 and (–)–4–epi–Hygrophorone D14
Authors: Surender Banothu , Vinaykumar Allam , Kumar Bejugam Santhosh , Vemulapalli Sahithya Phani Babu , Rao Batchu Venkateswara
Published: September 2018

Total synthesis of (–)–6–epi–hygrophorones B14 and (–)–4–epi–hygrophorone D14 was achieved using stereoselective Grignard reaction, Bernet–Vasella protocol and Ring closing metathesis, starting from D–mannose.
Revealing Pd Nanoparticles Formation from PEG‐Mediated Decomposition of Organometallic Precursor and Their Application as Catalyst for the Synthesis of n‐Extended Carbazoles.
Authors: Arvelos Matheus S. , Silva Aires C. , de Souza Andrea L. F. , Achete Carlos A. , Vasconcelos Thiago L. , Robertis Eveline , Archanjo Braulio S. , Aguiar Lucia C. S. , Malta Luiz Fernando B. , Senra Jaqueline D.
Published: September 2018

Synthesis of well‐controlled palladium nanoparticles (PdNPs) by spontaneous decomposition of tris(dibenzylideneacetone)dipalladium(0) in polyethylene glycol Mw 300 (PEG 300) in the absence of reductant atmosphere or thermal effect is reported. The Pd nanoparticles exhibited a spherical pattern with 2‐ to 4‐nm diameter and low standard deviation according to scanning transmission electron microscopy (STEM) analysis. UV‐vis electronic spectroscopy, dynamic light scattering (DLS) and diffusion ordered spectroscopy (DOSY) mode of 1H nuclear magnetic resonance (NMR) suggested that PEG acts as a template for the formation of PdNPs. These nanoparticles were efficient towards the Suzuki‐Miyaura reaction for the synthesis of 3,6‐diaryl carbazoles. Indeed, the whole catalyst system demonstrated an efficient recyclability (ten consecutive runs) without significant interference of the N−H moiety. Since diaryl carbazoles are the core of a number of compounds contained within components of organic solar cells and photovoltaics, this method should allow additional organic materials substrates under relatively inexpensive catalytic conditions.
Impact of Protein‐Polymer Interactions in the Antimicrobial Activity of Lysozyme/Poly(3,4‐ethylenedioxythiophene) Biocapacitors
Authors: Triguero Jordi , Zanuy David , Alemán Carlos
Published: September 2018

Biocapacitors constructed by combining lysozyme (LYZ) and poly(3,4‐ethylenedioxythiophene) (PEDOT) retained the bactericidal activity of the protein when this was encapsulated within the polymeric matrix but lost the antimicrobial behaviour when the LYZ was adsorbed onto the polymer. In this work we use atomistic Molecular Dynamics simulations to examine the influence of protein⋅⋅⋅polymer interactions in the bactericidal activity of LYZ‐containing biocapacitors. Results show that the anisotropic forces exerted by oxidized PEDOT chains on the adsorbed protein induce small structural changes that locally affect at the active centre, breaking the intra‐residue interactions associated with the antibacterial mechanism. Conversely, isotropic polymer⋅⋅⋅protein interactions in biocapacitors with encapsulated LYZ do not affect the stability of the active centre. These observations suggest that the strong repulsive or attractive forces between p‐doped polymer chains and the positively or negatively charged LYZ residues, respectively, are the only ones responsible for the protein activity.
Hyperconjugation
Authors: Alabugin Igor V. , dos Passos Gomes Gabriel , Abdo Miguel A.
Published: September 2018

This review outlines the role of hyperconjugative interactions in the structure and reactivity of organic molecules. After defining the common hyperconjugative patterns, we discuss the main factors controlling the magnitude of hyperconjugative effects, including orbital symmetry, energy gap, electronegativity, and polarizability. The danger of underestimating the contribution of hyperconjugative interactions are illustrated by a number of spectroscopic, conformational, and structural effects. The stereoelectronic nature of hyperconjugation offers useful ways for control of molecular stability and reactivity. New manifestations of hyperconjugative effects continue to be uncovered by theory and experiments.

This article is categorized under:

Structure and Mechanism > Molecular Structures

Software > Molecular Modeling

Structure and Mechanism > Reaction Mechanisms and Catalysis
Type II defects revisited
Authors: Corrigan E. , Zambon C.
Published: September 2018

Abstract

Energy and momentum conservation in the context of a type II, purely transmitting, defect, within a single scalar relativistic two-dimensional field theory, places a severe constraint not only on the nature of the defect but also on the potentials for the scalar fields to either side of it. The constraint is of an unfamiliar type since it requires the Poisson Bracket of the defect contributions to energy and momentum with respect to the defect discontinuity and its conjugate to be balanced by the potential difference across the defect. It is shown that the only solutions to the constraint correspond to the known integrable field theories.
Measurement of the charge asymmetry for the KS → πeν decay and test of CPT symmetry with the KLOE detector
Authors:   The KLOE-2 collaboration, Anastasi A. , Babusci D. , Berlowski M. , Bloise C. , Bossi F. , Branchini P. , Budano A. , Cao B. , Capon G. , Ceradini F. , Ciambrone P. , Curciarello F. , Czerwinski E. , D’Agostini G. , Danè E. , De Leo V. , De Lucia E. , De Santis A. , De Simone P. , Di Cicco A. , Di Domenico A. , Domenici D. , D’Uffizi A. , Fantini A. , Fantini G. , Fermani P. , Fiore S. , Gajos A. , Gauzzi P. , Giovannella S. , Graziani E. , Ivanov V. L. , Johansson T. , Kang X. , Kisielewska-Kaminska D. , Kozyrev E. A. , Krzemien W. , Kupsć A. , Loffredo S. , Lukin P. A. , Mandaglio G. , Martini M. , Messi R. , Miscetti S. , Moricciani D. , Moskal P. , Passeri A. , Patera V. , Perez del Rio E. , Raha N. , Santangelo P. , Schioppa M. , Selce A. , Silarski M. , Sirghi F. , Solodov E. P. , Tortora L. , Venanzoni G. , Wislicki W. , Wolke M.
Published: September 2018

Abstract

Using 1.63 fb−1 of integrated luminosity collected by the KLOE experiment about 7 × 104
K

S
→ π
±
e
∓
ν decays have been reconstructed. The measured value of the charge asymmetry for this decay is A

S
= (−4.9 ± 5.7stat ± 2.6syst) × 10−3, which is almost twice more precise than the previous KLOE result. The combination of these two measurements gives A

S
= (−3.8 ± 5.0stat ± 2.6syst) × 10−3 and, together with the asymmetry of the K

L
semileptonic decay, provides significant tests of the CPT symmetry. The obtained results are in agreement with CPT invariance.
Complete integration-by-parts reductions of the non-planar hexagon-box via module intersections
Authors: Böhm Janko , Georgoudis Alessandro , Larsen Kasper J. , Schönemann Hans , Zhang Yang
Published: September 2018

Abstract

We present the powerful module-intersection integration-by-parts (IBP) method, suitable for multi-loop and multi-scale Feynman integral reduction. Utilizing modern computational algebraic geometry techniques, this new method successfully trims traditional IBP systems dramatically to much simpler integral-relation systems on unitarity cuts. We demonstrate the power of this method by explicitly carrying out the complete analytic reduction of two-loop five-point non-planar hexagon-box integrals, with degree-four numerators, to a basis of 73 master integrals.
Presolar Isotopic Signatures in Meteorites and Comets: New Insights from the Rosetta Mission to Comet 67P/Churyumov–Gerasimenko
Authors: Hoppe Peter , Rubin Martin , Altwegg Kathrin
Published: September 2018

Comets are considered the most primitive planetary bodies in our Solar System, i.e., they should have best preserved the solid components of the matter from which our Solar System formed. ESA’s recent Rosetta mission to Jupiter family comet 67P/Churyumov–Gerasimenko (67P/CG) has provided a wealth of isotope data which expanded the existing data sets on isotopic compositions of comets considerably. In this paper we review our current knowledge on the isotopic compositions of H, C, N, O, Si, S, Ar, and Xe in primitive Solar System materials studied in terrestrial laboratories and how the Rosetta data acquired with the ROSINA (Rosetta Orbiter Sensor for Ion and Neutral Analysis) and COSIMA (COmetary Secondary Ion Mass Analyzer) mass spectrometer fit into this picture. The H, Si, S, and Xe isotope data of comet 67P/CG suggest that this comet might be particularly primitive and might have preserved large amounts of unprocessed presolar matter. We address the question whether the refractory Si component of 67P/CG contains a presolar isotopic fingerprint from a nearby Type II supernova (SN) and discuss to which extent C and O isotope anomalies originating from presolar grains should be observable in dust from 67P/CG. Finally, we explore whether the isotopic fingerprint of a potential late SN contribution to the formation site of 67P/CG in the solar nebula can be seen in the volatile component of 67P/CG.
Adhesive wear mechanisms uncovered by atomistic simulations
Authors: Molinari Jean-François , Aghababaei Ramin , Brink Tobias , Frérot Lucas , Milanese Enrico
Published: September 2018

In this review, we discuss our recent advances in modeling adhesive wear mechanisms using coarse-grained atomistic simulations. In particular, we present how a model pair potential reveals the transition from ductile shearing of an asperity to the formation of a debris particle. This transition occurs at a critical junction size, which determines the particle size at its birth. Atomistic simulations also reveal that for nearby asperities, crack shielding mechanisms result in a wear volume proportional to an effective area larger than the real contact area. As the density of microcontacts increases with load, we propose this crack shielding mechanism as a key to understand the transition from mild to severe wear. We conclude with open questions and a road map to incorporate these findings in mesoscale continuum models. Because these mesoscale models allow an accurate statistical representation of rough surfaces, they provide a simple means to interpret classical phenomenological wear models and wear coefficients from physics-based principles.
Effect of oxide film on nanoscale mechanical removal of pure iron
Authors: Liu Jinwei , Jiang Liang , Deng Changbang , Du Wenhao , Qian Linmao
Published: September 2018

In this paper, the properties of an oxide film formed on a pure iron surface after being polished with an H2O2-based acidic slurry were investigated using an atomic force microscope (AFM), Auger electron spectroscopy (AES), and angle-resolved X-ray photoelectron spectroscopy (AR-XPS) to partly reveal the material removal mechanism of pure iron during chemical mechanical polishing (CMP). The AFM results show that, when rubbed against a cone-shaped diamond tip in vacuum, the material removal depth of the polished pure iron first slowly increases to 0.45 nm with a relatively small slope of 0.11 nm/μN as the applied load increases from 0 to 4 μN, and then rapidly increases with a large slope of 1.98 nm/μN when the applied load further increases to 10 μN. In combination with the AES and AR-XPS results, a layered oxide film with approximately 2 nm thickness (roughly estimated from the sputtering rate) is formed on the pure iron surface. Moreover, the film can be simply divided into two layers, namely, an outer layer and an inner layer. The outer layer primarily consists of FeOOH (most likely α-FeOOH) and possibly Fe2O3 with a film thickness ranging from 0.36 to 0.48 nm (close to the 0.45 nm material removal depth at the 4 μN turning point), while the inner layer primarily consists of Fe3O4. The mechanical strength of the outer layer is much higher than that of the inner layer. Moreover, the mechanical strength of the inner layer is quite close to that of the pure iron substrate. However, when a real CMP process is applied to pure iron, pure mechanical wear by silica particles generates almost no material removal due to the extremely high mechanical strength of the oxide film. This indicates that other mechanisms, such as in-situ chemical corrosion-enhanced mechanical wear, dominate the CMP process.
Impact of vision 2030 on traffic safety in Saudi Arabia
Authors: Dahim Mohammed A.H.
Published: September 2018

Background and objectives:

Road traffic accident (RTA) in the Kingdom of Saudi Arabia (KSA) is the first and major cause of death. The primary objective of this paper is to investigate the impact of Saudi Vision 2030 on road traffic safety. The Vision 2030 programs lead to the implementation of two crucial steps. The first step was to introduce value-added tax (VAT), and the second step was to increase fuel prices. The effect of these two steps on RTAs, injuries, and fatalities is determined and evaluated in this study.

Research methods:

The data of RTAs, injuries, and fatalities in the last three decades before implementing VAT and before increasing fuel prices were collected and analyzed. A short-term effect of fuel prices was evaluated using the data of 3 months after each increase in fuel price. The results of RTA before the increase in fuel prices were compared with those of RTAs after the increase in fuel prices. Time series autoregressive and t-test were used to analyze the significant differences in the results.

Results and discussion:

The results show that RTAs have increased continuously during the last 30 years until the increase in fuel prices. A short-term effect of Vision 2030 and economic transformation were evaluated using RTA data before and after the increase in fuel prices. The remarkable decline in the number of RTAs, injuries, and fatalities after fuel prices increased was recorded.

Conclusion:

Despite all the core issues implementing to reduce RTAs, such as traffic law enforcement, RTAs in the KSA increase and become the first cause of death in the country. Vision 2030 leads to an increase in gasoline prices and the implementation of VAT. The increase in gasoline prices contributes to a short-term decrease in RTAs, injuries, and fatalities by 22.4%, 21.9%, and 14.1%, respectively, while intermediate-term decrease in RTAs and road traffic fatalities is by 72892 and 1842, respectively. The decrease in RTAs may be attributed to the reduction in unnecessary trips and slower and careful driving by people to decrease fuel consumption. Statistical analyses performed using time series and t-test confirmed the significant effect of fuel prices on reducing RTAs.
Prevalence and incidence of clinically diagnosed Alzheimer's disease dementia from 1994 to 2012 in a population study
Authors: Rajan Kumar B. , Weuve Jennifer , Barnes Lisa L. , Wilson Robert S. , Evans Denis A.
Published: September 2018

Introduction

The trends in prevalence and incidence of Alzheimer's disease (AD) dementia remain uncertain.

Methods

A sample of 2794 participants with a clinical diagnosis for AD dementia were included.

Results

The 2010 census standardized prevalence of AD dementia was 14.5% (95% CI = 13.7–15.3), and annual incidence was 2.3% (1.7–2.9). Both prevalence and incidence showed substantial variation over time, but no secular trends. The prevalence of AD dementia did not change significantly from 14.6% (95% CI = 13.0, 16.2) in 1994–1997 to 14.7% (95% CI = 13.2, 16.2) in 2010–2012 (P = .84). The annual incidence of AD dementia was 2.8% (95% CI = 2.2, 3.2) in 1998–2000 and 2.2% (95% CI = 1.6, 2.8) in 2004–2006 (P = .20) and remained steady in 2010–2012. The prevalence and incidence among African Americans were approximately twice than those among European Americans.

Conclusions

The prevalence and incidence of AD dementia showed substantial variation between 1994 and 2012, but no secular trend.
Ankle Joint and Rearfoot Biomechanics During Toe‐In and Toe‐Out Walking in People With Medial Compartment Knee Osteoarthritis
Authors: Charlton Jesse M. , Hatfield Gillian L. , Guenette Jordan A. , Hunt Michael A.
Published: September 2018

Background

Toe‐in and toe‐out walking are 2 strategies that have been shown to be effective in reducing the knee adduction moment in people with knee osteoarthritis. However, despite a positive biomechanical impact on the knee, altering foot rotation may impart unintended forces or joint positions on the ankle that could impact joint health. The kinematic and kinetic changes at the ankle during toe‐in or toe‐out walking have yet to be examined.

Objective

To examine ankle/rearfoot biomechanics during toe‐in and toe‐out walking in those with knee osteoarthritis.

Design

Single‐session repeated measures design to compare ankle biomechanics during walking with 4 different foot rotations.

Setting

University motion analysis laboratory.

Participants

A convenience sample (N = 15) of males and females with a diagnosis of medial knee osteoarthritis confirmed by radiographs.

Methods

Participants walked in 4 conditions guided by real‐time biofeedback: (1) toe‐in (+10°), (2) zero rotation (0°), (3) toe‐out (−10°), and (4) toe‐out (−20°). Ankle and rearfoot kinematics and kinetics were examined during barefoot over‐ground walking.

Main Outcome Measures

Ankle joint angles, moments, moment impulses, and foot rotation.

Results

Overall, toe‐in compared to toe‐out walking decreased (P = .03) peak rearfoot eversion (toe‐in = −1.6°; 10° toe‐out = −3.7°; 20° toe‐out = −4.1°). Toe‐in compared to toe‐out walking also increased rearfoot inversion at initial contact (7.4° vs 3.1° at 10° toe‐out and 1.9° at 20° toe‐out; P < .001) and frontal plane rearfoot angle excursion (9.0° vs 6.8° at 10° toe‐out and 6.0° at 20° toe‐out; P < .006). Toe‐in compared to all other conditions increased peak external ankle inversion moments (0.04 Nm/kg vs 0.02 Nm/kg at 0°, 0.02 Nm/kg at 10° toe‐out, and 0.01 Nm/kg at 20° toe‐out; P < .003).

Conclusions

Toe‐in and toe‐out walking require different ankle/rearfoot biomechanics, though no differences in discomfort were observed. Longer‐term studies are required to properly assess these relationships in knee osteoarthritis populations.

Level of Evidence

IV
Network‐based assessment of collaborative research in neuroscience
Authors: Marchand Gwen C. , Hilpert Jonathan C. , Bragg Kristine M. , Cummings Jeffrey
Published: September 2018

Introduction

The purpose of this study was to describe collaborative research in neuroscience within the context of the Center for Neurodegeneration and Translational Neuroscience (CNTN), a Center of Biomedical Research Excellence supported by the National Institute of General Medical Science. Drawing upon research on the science of team science, this study investigated the way that interactions around research emerged over the course of establishing a new research center. The objectives were to document changes in research activity and describe how human research support infrastructure functioned to support the production of science.

Methods

Social network analyses were used to model coauthorship relationships based on publication histories from baseline (2014) through the current grant year (2017) for key personnel (n = 12), as well as survey data on collaborative engagement among CNTN members (n = 59).

Results

Exponential random graph models indicated that over time, CNTN members were increasingly likely to form coauthorship relationships. Community detection algorithms and brokerage analyses suggested that the CNTN was functioning as intended to support scientific development.

Discussion

Assessment of team science efforts is critical to evaluating and developing appropriate support structures that facilitate successful team science efforts in translational neuroscience.
Attitudes Toward Noncompliance and the Demand for External Financing
Authors: Davidson Robert H. , Pirinsky Christo
Published: September 2018

We study the link between the individual propensity to violate moral principles and the demand for finance based on two data sets: the World Values Survey and a data set with the legal records of U.S. chief executive officers (CEOs). We find that individuals who are more tolerant of moral principle violations are more likely to borrow. Corporate executives with legal records are also associated with larger mortgages. Reverse causality and attitudes toward risk are unlikely explanations for our findings. We contend that noncompliance relaxes participation constraints in capital markets by lowering the psychological costs of entering and breaking a contract.
Simulations of solar wind variations during an 11-year cycle and the influence of north–south asymmetry
Authors: Perri B. , Brun A. S. , Réville V. , Strugarek A.
Published: September 2018

We want to study the connections between the magnetic field generated inside the Sun and the solar wind impacting Earth, especially the influence of north–south asymmetry on the magnetic and velocity fields. We study a solar-like 11-year cycle in a quasi-static way: an asymmetric dynamo field is generated through a 2.5-dimensional (2.5-D) flux-transport model with the Babcock–Leighton mechanism, and then is used as bottom boundary condition for compressible 2.5-D simulations of the solar wind. We recover solar values for the mass loss rate, the spin-down time scale and the Alfvén radius, and are able to reproduce the observed delay in latitudinal variations of the wind and the general wind structure observed for the Sun. We show that the phase lag between the energy of the dipole component and the total surface magnetic energy has a strong influence on the amplitude of the variations of global quantities. We show in particular that the magnetic torque variations can be linked to topological variations during a magnetic cycle, while variations in the mass loss rate appear to be driven by variations of the magnetic energy.
LeopardPanthera pardusdensity in southern Mozambique: evidence from spatially explicit capture–recapture in Xonghile Game Reserve
Authors: Strampelli Paolo , Andresen Leah , Everatt Kristoffer T. , Somers Michael J. , Rowcliffe J. Marcus
Published: September 2018

Rigorous status estimates of populations of large carnivores are necessary to inform their management and help evaluate the effectiveness of conservation interventions. The African leopardPanthera pardusfaces rising anthropogenic pressures across most of its contracting sub-Saharan range, but the scarcity of reliable population estimates means that management decisions often have to rely on expert opinion rather than being based on sound evidence. This is particularly true for Mozambique, where little is known about the ecology or conservation status of leopard populations as a result of prolonged armed conflict. We used camera trapping and spatially explicit capture–recapture models to provide a leopard density estimate in Xonghile Game Reserve in southern Mozambique, which is part of the Greater Limpopo Transfrontier conservation initiative. The estimated population density was 2.60 ± SE 0.96 leopards/100 km2. Our study provides a baseline leopard density for the region and the first empirical density estimate for southern Mozambique. Our results also suggest that current methods used to set trophy hunting quotas for leopards, both in Mozambique and elsewhere in Africa, may be leading to unsustainable quotas, which highlights the importance of robust empirical data in guiding conservation policy.
INTERTEXTUALITY IN THE MUSIC OF OUR TIME: PAWEŁ SZYMAŃSKI'S RIDDLES
Authors: Kostka Violetta
Published: September 2018

This article is devoted to the music of Paweł Szymański. The author is convinced that an intertextual reading of his music is the most compelling one. Taking into consideration Szymański's two-level technique she interprets his works by means of categories elaborated in the field of literature: intertextuality exponent, interpretant, and text characterised by intertextual play. In the second part of the article two different works are discussed, the first representing the algorithmic, and the second the improvisational method of composing. The author concludes that these works are deeply rooted in tradition and, at the same time, are modern, as well as original, with the interpretants constituting the major source of their originality.