scholarly journals Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation

Nanomaterials ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 639 ◽  
Author(s):  
Jana E. Black ◽  
Andrew Z. Summers ◽  
Christopher R. Iacovella ◽  
Peter T. Cummings ◽  
Clare McCabe

Cross-linked chemisorbed n-alkylsilane (CH3(CH2)n−1Si(OH)3) monolayers on amorphous silica surfaces have been studied and their structural properties and frictional performance were compared to those of equivalent monolayers without cross-linkages. The simulations isolated for the first time the effects of both siloxane cross-linkages and the fraction of chains chemisorbed to the surface, providing insight into a longstanding fundamental question in the literature regarding molecular-level structure. The results demonstrate that both cross-linkages and the fraction of chemisorbed chains affect monolayer structure in small but measurable ways, particularly for monolayers constructed from short chains; however, these changes do not appear to have a significant impact on frictional performance.

2017 ◽  
Vol 5 (22) ◽  
pp. 11214-11223 ◽  
Author(s):  
Yuanzhe Song ◽  
Xuebing Zhao ◽  
Chao Wang ◽  
Han Bi ◽  
Jie Zhang ◽  
...  

Local heterogeneity in crystal lattice is directly observed in synthesized Li2MnO3/LiMO2 (M = Ni, Mn) cathode materials. With SAED application, for the first time, we accordingly uncover that the lattice heterogeneity is induced by different Li2MnO3 atomic arrangements coexisting in same crystal domain.


2014 ◽  
Vol 6 (2) ◽  
pp. 104-135 ◽  
Author(s):  
Panagiotis Andrikopoulos ◽  
Andreas Albin Hoefer ◽  
Vasileios Kallinterakis

Purpose – The purpose of this paper is to present and empirically test for the first time the hypothesis that herding in a market increases following the market's merger in an exchange group. Design/methodology/approach – The hypothesis is tested empirically in EURONEXT's four European equity markets (Belgium, France, the Netherlands and Portugal) on the premise of the Hwang and Salmon (2004) measure which allows us insight into the significance, structure and evolution of market herding. Tests are conducted for each market for the period prior to and after its merger into EURONEXT, controlling for a series of variables (market conditions, common risk factors, size) to gauge the robustness of the findings. Findings – Results indicate that, with the exception of Portugal, herding grows in significance, yet declines in momentum post-merger. The authors ascribe the findings to EURONEXT's enhanced transparency (which makes it easier for investors to observe their peers’ trades, thus allowing them to infer and free-ride on their information) and its fast-moving informational dynamics that render herding movements shorter-lived. These results are robust when controlling for various market states and common risk factors, with deviations being observed when controlling for size and market volatility. Originality/value – The study presents results for the first time on the impact of exchange mergers on herd behavior. The authors believe these to constitute useful stimulus for further research on the issue and bear important implications for regulators/policymakers in view of the ongoing proliferation of exchange mergers that has been underway since the 1990s.


2015 ◽  
Vol 282 (1806) ◽  
pp. 20150294 ◽  
Author(s):  
Deepa Senapathi ◽  
Luísa G. Carvalheiro ◽  
Jacobus C. Biesmeijer ◽  
Cassie-Ann Dodson ◽  
Rebecca L. Evans ◽  
...  

Change in land cover is thought to be one of the key drivers of pollinator declines, and yet there is a dearth of studies exploring the relationships between historical changes in land cover and shifts in pollinator communities. Here, we explore, for the first time, land cover changes in England over more than 80 years, and relate them to concurrent shifts in bee and wasp species richness and community composition. Using historical data from 14 sites across four counties, we quantify the key land cover changes within and around these sites and estimate the changes in richness and composition of pollinators. Land cover changes within sites, as well as changes within a 1 km radius outside the sites, have significant effects on richness and composition of bee and wasp species, with changes in edge habitats between major land classes also having a key influence. Our results highlight not just the land cover changes that may be detrimental to pollinator communities, but also provide an insight into how increases in habitat diversity may benefit species diversity, and could thus help inform policy and practice for future land management.


2020 ◽  
Vol 12 (12) ◽  
pp. 5009 ◽  
Author(s):  
Chiara Roberta Girelli ◽  
Roberta Schiavone ◽  
Sebastiano Vilella ◽  
Francesco Paolo Fanizzi

Honey is a natural sweet substance produced by honeybees from the nectar of flowers, plant secretions or plant-sucking insect excretions. Sugars and water constitute the major components, other minor components characterize the organoleptic and nutritional properties. To date, Salento (Apulia region, Italy) honey production is considerably threatened due to the suggested use of neonicotinoids in order to control the insect-vectored bacterium Xylella fastidiosa (subsp. pauca). Metabolomics based on Nuclear Magnetic Resonance (NMR) spectroscopy was used to describe, for the first time, the composition of honey samples from different Salento producers. Exploratory Principal Component Analysis (PCA) showed, among the observed clustering, a separation between light and dark honeys and a discrimination according to producers, both further analyzed by supervised multivariate analysis. According to the obtained data, although limited to small-scale emerging production, Salento honey shows at the molecular level, a range of specific characteristic features analogous to those exhibited by similar products originating elsewhere and appreciated by consumers. The impact on this production should therefore be carefully considered when suggesting extensive use of pesticides in the area.


2018 ◽  
Vol 6 (32) ◽  
pp. 15659-15667 ◽  
Author(s):  
Halie J. Martin ◽  
Barbara K. Hughes ◽  
Wade A. Braunecker ◽  
Thomas Gennett ◽  
Mark D. Dadmun

SANS provides, for the first time, unique insight into the correlation between organic radical polymer molecular structure and their assembly.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Sanja Babić ◽  
Lara Čižmek ◽  
Aleksandra Maršavelski ◽  
Olga Malev ◽  
Maryline Pflieger ◽  
...  

AbstractAmazonian wildfires in 2019 have raised awareness about rainforest burning due to increased emissions of particulate matter and carbon. In the context of these emissions, by-products of lignin thermal degradation (i.e. methoxyphenols) are often neglected. Methoxyphenols entering the atmosphere may form intermediates with currently unknown reaction mechanisms and toxicity. This study for the first time provides a comprehensive insight into the impact of lignin degradation products [guaiacol, catechol], and their nitrated intermediates [4-nitrocatechol, 4,6-dinitroguaiacol, 5-nitroguaiacol] on zebrafish Danio rerio. Results revealed 4-nitrocatechol and catechol as the most toxic, followed by 4,6DNG > 5NG > GUA. The whole-organism bioassay integrated with molecular modeling emphasized the potential of methoxyphenols to inhibit tyrosinase, lipoxygenase, and carbonic anhydrase, consequently altering embryonic development (i.e. affected sensorial, skeletal, and physiological parameters, pigmentation formation failure, and non-hatching of larvae). The whole-organism bioassay integrated with in silico approach confirmed the harmful effects of lignin degradation products and their intermediates on aquatic organisms, emphasizing the need for their evaluation within ecotoxicity studies focused on aquatic compartments.


2021 ◽  
Author(s):  
Brian Albright ◽  
Thomas Murphy ◽  
M Douglas ◽  
T Cardenas ◽  
James Cooley ◽  
...  

Abstract In inertial confinement fusion (ICF), deuterium-tritium (DT) fuel is brought to densities and temperatures where fusion ignition occurs. Mix of ablator material into the fuel may prevent ignition by diluting and cooling the fuel. MARBLE experiments at the National Ignition Facility (NIF) provide new insight into how mix affects thermonuclear burn. These experiments use laser-driven capsules containing deuterated plastic foam and tritium gas. Embedded within the foam are voids of known sizes and locations, which control the degree of heterogeneity of the fuel. Initially, the reactants are separated, with tritium concentrated in the voids and deuterium in the foam. During the implosion, mix occurs, leading to DT fusion reactions in the mixed region. Here we show that by measuring ratios of DT and deuterium-deuterium (DD) neutron yields for different macropore sizes and gas compositions, effects of mix heterogeneity on thermonuclear burn may be quantified and understood for the first time.


2021 ◽  
Author(s):  
Else Behrend-Rosenfeld ◽  
Siegfried Rosenfeld ◽  
Richard Evans

This unique collection of diaries and letters offers a vivid personal account of the experiences of a Jewish couple living parallel lives during the Second World War. While their children left for England just before war broke out, and Siegfried soon followed, Else Behrend was unable to obtain her visa in time, and remained in Germany. This volume includes Else's account of her years of persecution under the Nazi dictatorship, and of her life underground in Berlin, before her eventual daring escape to Switzerland on foot in 1944. Her dramatic story is presented alongside Siegfried's account of his very different experience, living penniless and in isolation in England, as well as some of her letters to her close friend and confidante, Eva. Complemented by QR codes that allow readers to listen to Else's own voice from her 1963 BBC interviews. Published in English for the first time, Living in Two Worlds offers an unforgettable and moving insight into the impact of the Second World War on everyday life.


2020 ◽  
pp. 128-138
Author(s):  
A. S. Bik-Bulatov

The article uses little known letters of M. Gorky, many of which were published for the first time in 1997, as well as findings of Samara-based experts in local history to shed light on the writer’s work as editor-in-chief of the Samarskaya Gazeta newspaper in 1895. The researcher introduces hitherto unstudied reminiscences of the journalist D. Linyov (Dalin) about this period, which reference a letter by Gorky, now lost. The paper details a newly discovered episode of Gorky’s professional biography as a journalist: it concerns his campaign against a Samara ‘she-wolf,’ the madam of a local brothel A. Neucheva. Linyov’s reminiscences turn out to be an important and interesting source, offering an insight into the daily grind of the young editor Gorky, providing new evidence of his excellent organizational skills, and describing his moral and social stance. The author presents his work in the context of a recently initiated broader discussion about the need to map out all Russian periodicals for the period until 1917, as well as all research devoted to individual publications.


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