Search results for "aRR"
showing 10 items of 10185 documents
Unravelling the kinetics and molecular mechanism of the degenerate Cope rearrangement of bullvalene
2020
The kinetics and molecular mechanism of the gas phase degenerate Cope rearrangement (DCR) of bullvalene have been investigated by applying quantum mechanical calculations. Highly accurate energies (CBS-QB3 and CBS-APNO) and RRKM calculations were employed to study the kinetics and ‘fall-off’ behavior. It was found that the DCR of bullvalene (C3v) occurs through a bishomoaromatic transition structure (C2v) with an energy barrier of ∼49 kJ mol−1. The calculated activation energy and enthalpy were in good agreement with the available values in the literature, but lower than those of common Cope rearrangement; this result is related to the high stabilization energy due to the interaction of the…
Sensitive Assays by Nucleophile-Induced Rearrangement of Photoactivated Diarylethenes.
2018
Upon light-induced isomerization, diarylethenes (DAEs) equipped with reactive aldehyde moieties rearrange selectively in the presence of amines, accompanied by decoloration. In a comprehensive study, the probe structure was optimized with regard to its inherent reactivity in the nucleophile-triggered rearrangement reaction. Detailed structure−reactivity relationships could be derived, in particular with regard to the type of integrated (het)aryl moieties as well as the location of the formyl residue, and the probes’ intrinsic reactivity with primary and secondary amines was optimized. Utilizing an ancillary base, the initially formed rearrangement product can engage in a subsequent catalyti…
Role of the Open-Shell Character on the Pressure-Induced Conductivity of an Organic Donor-Acceptor Radical Dyad
2018
Single‐component conductors based on neutral organic radicals have received a lot of attention due to the possibility that the unpaired electron can serve as a charge carrier without the need of a previous doping process. Although most of these systems are based on delocalized planar radicals, we present here a nonplanar and spin localized radical based on a tetrathiafulvalene (TTF) moiety, linked to a perchlorotriphenylmethyl (PTM) radical by a conjugated bridge, which exhibits a semiconducting behavior upon application of high pressure. The synthesis, electronic properties, and crystal structure of this neutral radical TTF‐Ph‐PTM derivative (1) are reported and implications of its crystal…
The effect of bone marrow-derived stem cells associated with platelet-rich plasma on the osseointegration of immediately placed implants
2020
Background Stem cells associated with growth factors have been shown to improve bone healing and the osseointegration of dental implants. A Brazilian miniature pig model was used to evaluate the effect of autologous bone marrow-derived mesenchymal stem cells (BM-MSCs) associated with platelet-rich plasma (PRP) on the osseointegration of immediately placed dental implants. Material and methods A total of four male adult miniature pigs were used in this study. BM-MSCs from each pig were isolated from the iliac crest and expanded in vitro. The undifferentiated BM-MSCs were mixed with autologous PRP and implanted in the post-extraction sockets at the experimental sites before implant placement …
Very Deep inside the SN 1987A Core Ejecta: Molecular Structures Seen in 3D
2017
Most massive stars end their lives in core-collapse supernova explosions and enrich the interstellar medium with explosively nucleosynthesized elements. Following core collapse, the explosion is subject to instabilities as the shock propagates outwards through the progenitor star. Observations of the composition and structure of the innermost regions of a core-collapse supernova provide a direct probe of the instabilities and nucleosynthetic products. SN 1987A in the Large Magellanic Cloud (LMC) is one of very few supernovae for which the inner ejecta can be spatially resolved but are not yet strongly affected by interaction with the surroundings. Our observations of SN 1987A with the Ataca…
Environmental and biological factors are joint drivers of mercury biomagnification in subarctic lake food webs along a climate and productivity gradi…
2021
Subarctic lakes are getting warmer and more productive due to the joint effects of climate change and intensive land-use practices (e.g. forest clear-cutting and peatland ditching), processes that potentially increase leaching of peat- and soil-stored mercury into lake ecosystems. We sampled biotic communities from primary producers (algae) to top consumers (piscivorous fish), in 19 subarctic lakes situated on a latitudinal (69.0-66.5 degrees N), climatic (+3.2 degrees C temperature and +30% precipitation from north to south) and catchment land-use (pristine to intensive forestry areas) gradient. We first tested how the joint effects of climate and productivity influence mercury biomagnific…
Recreational noise pollution of traditional festivals reduces the juvenile productivity of an avian urban bioindicator.
2021
Noise is a pollutant of emergent concern for ecologists and conservation biologists. Recreational noise pollution, especially unpredictable and intermittent sounds, and its effects on wildlife and biodiversity have been poorly studied. Researchers have paid very little attention to the effect of noisy traditional festivals (fireworks and powder-guns). This study aimed to explore the effect of these recreational activities on the juvenile productivity of an urban avian bioindicator: the house sparrow. We studied five pairs of localities in the Valencia Region (E Spain) with noisy traditional festivals. Each pair was composed of one locality with festivals during the breeding season and the c…
Exploitation of SAR and Optical Sentinel Data to Detect Rice Crop and Estimate Seasonal Dynamics of Leaf Area Index
2017
This paper presents and evaluates multitemporal LAI estimates derived from Sentinel-2A data on rice cultivated area identified using time series of Sentinel-1A images over the main European rice districts for the 2016 crop season. This study combines the information conveyed by Sentinel-1A and Sentinel-2A into a high-resolution LAI retrieval chain. Rice crop was detected using an operational multi-temporal rule-based algorithm, and LAI estimates were obtained by inverting the PROSAIL radiative transfer model with Gaussian process regression. Direct validation was performed with in situ LAI measurements acquired in coordinated field campaigns in three countries (Italy, Spain and Greece). Res…
A review of mental health and wellbeing under climate change in small island developing states (SIDS)
2021
AbstractSmall island developing states (SIDS) are often at the forefront of climate change impacts, including those related to health, but information on mental health and wellbeing is typically underreported. To help address this research lacuna, this paper reviews research about mental health and wellbeing under climate change in SIDS. Due to major differences in the literature’s methodologies, results, and analyses, the method is an overview and qualitative evidence synthesis of peer-reviewed publications. The findings show that mental health and wellbeing in the context of climate change have yet to feature prominently and systematically in research covering SIDS. It seems likely that m…
Towards LST split-window algorithm FPGA implementation for CubeSats on-board computations purposes
2019
ABSTRACTNano, pico, and the so-called CubeSat satellites are taking place due to the emergent improvements in both high-performance nano and pico electronics and computational technologies. More th...