◾ Computational Data Sciences for Actionable Insights on Climate Extremes and Uncertainty

2019 ◽  
Author(s):  
Andrew Romine ◽  
Kin Yang ◽  
Malkanthi Karunananda ◽  
Jason Chen ◽  
Keary Engle

A weakly coordinating monodentate heteroaryl thioether directing group has been developed for use in Pd(II) catalysis to orchestrate key elementary steps in the catalytic cycle that require conformational flexibility in a manner that is difficult to accomplish with traditional strongly coordinating directing groups. This benzothiazole thioether, (BT)S, directing group can be used to promote oxidative Heck reactivity of internal alkenes providing a wide range of products in moderate to high yields. To demonstrate the broad applicability of this directing group, arene C–H olefination was also successfully developed. Reaction progress kinetic analysis provides insights into the role of the directing group in each reaction, which is supplemented with computational data for the oxidative Heck reaction. Furthermore, this (BT)S directing group can be transformed into a number of synthetically useful functional groups, including a sulfone for Julia olefination, allowing it to serve as a “masked olefin” directing group in synthetic planning. In order to demonstrate this synthetic utility, natural products (+)-salvianolic acid A and salvianolic acid F are formally synthesized using the (BT)S directed C–H olefination as the key step.


2017 ◽  
Vol 59 (1) ◽  
pp. 79-87
Author(s):  
Van Thang Nguyen ◽  
Van Khiem Mai ◽  
Van Thang Vu ◽  
Dang Mau Nguyen ◽  
Ngoc Bich Phuong Nguyen ◽  
...  
Keyword(s):  

2017 ◽  
Vol 68 (4) ◽  
pp. 726-731
Author(s):  
Lenuta Maria Suta ◽  
Anca Tudor ◽  
Colette Roxana Sandulovici ◽  
Lavinia Stelea ◽  
Daniel Hadaruga ◽  
...  

In this paper, it was analysed the influence of formulation factors over obtaining oxicam hydrogels, using the statistical analysis. Data analysis and predictive modeling by multivariate regression offers a large number of possible explanatory/predictive variables. Therefore, variable selection and dimension reduction is a major task for multivariate statistical analysis, especially for multivariate regressions. The statistical analysis and computational data processing of responses obtained from different pharmaceutical formulations, via different experimental protocols, lead to the optimization of the formulation process. It was found that the most suitable pharmaceutical formulations based on oxicams with the possibility of rapid release contained cyclodextrin, in particular 2-hydroxypropyl-b-cyclodextrin.


2020 ◽  
Vol 28 (2) ◽  
pp. 213-237 ◽  
Author(s):  
Andrea Mastinu ◽  
Giovanni Ribaudo ◽  
Alberto Ongaro ◽  
Sara Anna Bonini ◽  
Maurizio Memo ◽  
...  

: Cannabidiol (CBD) is a non-psychotropic phytocannabinoid which represents one of the constituents of the “phytocomplex” of Cannabis sativa. This natural compound is attracting growing interest since when CBD-based remedies and commercial products were marketed. This review aims to exhaustively address the extractive and analytical approaches that have been developed for the isolation and quantification of CBD. Recent updates on cutting-edge technologies were critically examined in terms of yield, sensitivity, flexibility and performances in general, and are reviewed alongside original representative results. As an add-on to currently available contributions in the literature, the evolution of the novel, efficient synthetic approaches for the preparation of CBD, a procedure which is appealing for the pharmaceutical industry, is also discussed. Moreover, with the increasing interest on the therapeutic potential of CBD and the limited understanding of the undergoing biochemical pathways, the reader will be updated about recent in silico studies on the molecular interactions of CBD towards several different targets attempting to fill this gap. Computational data retrieved from the literature have been integrated with novel in silico experiments, critically discussed to provide a comprehensive and updated overview on the undebatable potential of CBD and its therapeutic profile.


Atmosphere ◽  
2020 ◽  
Vol 11 (2) ◽  
pp. 208 ◽  
Author(s):  
Nazzareno Diodato ◽  
Naziano Filizola ◽  
Pasquale Borrelli ◽  
Panos Panagos ◽  
Gianni Bellocchi

The occurrence of hydrological extremes in the Amazon region and the associated sediment loss during rainfall events are key features in the global climate system. Climate extremes alter the sediment and carbon balance but the ecological consequences of such changes are poorly understood in this region. With the aim of examining the interactions between precipitation and landscape-scale controls of sediment export from the Amazon basin, we developed a parsimonious hydro-climatological model on a multi-year series (1997–2014) of sediment discharge data taken at the outlet of Óbidos (Brazil) watershed (the narrowest and swiftest part of the Amazon River). The calibrated model (correlation coefficient equal to 0.84) captured the sediment load variability of an independent dataset from a different watershed (the Magdalena River basin), and performed better than three alternative approaches. Our model captured the interdecadal variability and the long-term patterns of sediment export. In our reconstruction of yearly sediment discharge over 1859–2014, we observed that landscape erosion changes are mostly induced by single storm events, and result from coupled effects of droughts and storms over long time scales. By quantifying temporal variations in the sediment produced by weathering, this analysis enables a new understanding of the linkage between climate forcing and river response, which drives sediment dynamics in the Amazon basin.


2021 ◽  
Vol 13 (4) ◽  
pp. 1941
Author(s):  
Md Kamruzzaman ◽  
Katherine Anne Daniell ◽  
Ataharul Chowdhury ◽  
Steven Crimp

There is anecdotal evidence of the effectiveness of Extension and Advisory Service (EAS) agencies for strengthening innovation networks to adapt to extreme events that impact agricultural production and productivity. In Bangladesh, the Department of Agricultural Extension (DAE) is responsible for ensuring sustainable rice farming, which is damaged by flash flooding every year. This study investigates how EAS can strengthen farmers’ innovation networks by examining DAE’s efforts to adapt rice cultivation to flash flooding. Using surveys and interviews from farmers affiliated with DAE (DAE-farmers) and farmers independent of DAE (non-DAE farmers), the effectiveness of innovation networks was examined. One of the key findings of this paper is that DAE’s efforts to strengthen the innovation networks of farmers to adapt rice cultivation to flash flooding focused on the facilitation of the agronomic network development. The organization missed the opportunity to enable the harvesting networks’ efficacy. As the harvesting activities are highly exposed to flash flooding, the absence of adequate support from the DAE and timely updates of local weather and flash flooding information indicates that farmers are still at significant risk. This study also shows the value of including both formal (e.g., EAS agencies, research organizations) and informal actors (e.g., relatives, local input dealers) in the innovation network as a way of ensuring diversity of information access.


2021 ◽  
Vol 13 (7) ◽  
pp. 1230
Author(s):  
Simeng Wang ◽  
Qihang Liu ◽  
Chang Huang

Changes in climate extremes have a profound impact on vegetation growth. In this study, we employed the Moderate Resolution Imaging Spectroradiometer (MODIS) and a recently published climate extremes dataset (HadEX3) to study the temporal and spatial evolution of vegetation cover, and its responses to climate extremes in the arid region of northwest China (ARNC). Mann-Kendall test, Anomaly analysis, Pearson correlation analysis, Time lag cross-correlation method, and Least absolute shrinkage and selection operator logistic regression (Lasso) were conducted to quantitatively analyze the response characteristics between Normalized Difference Vegetation Index (NDVI) and climate extremes from 2000 to 2018. The results showed that: (1) The vegetation in the ARNC had a fluctuating upward trend, with vegetation significantly increasing in Xinjiang Tianshan, Altai Mountain, and Tarim Basin, and decreasing in the central inland desert. (2) Temperature extremes showed an increasing trend, with extremely high-temperature events increasing and extremely low-temperature events decreasing. Precipitation extremes events also exhibited a slightly increasing trend. (3) NDVI was overall positively correlated with the climate extremes indices (CEIs), although both positive and negative correlations spatially coexisted. (4) The responses of NDVI and climate extremes showed time lag effects and spatial differences in the growing period. (5) Precipitation extremes were closely related to NDVI than temperature extremes according to Lasso modeling results. This study provides a reference for understanding vegetation variations and their response to climate extremes in arid regions.


Author(s):  
Hui Shao ◽  
Yuandong Zhang ◽  
Fengxue Gu ◽  
Chunming Shi ◽  
Ning Miao ◽  
...  

Atmosphere ◽  
2021 ◽  
Vol 12 (3) ◽  
pp. 296
Author(s):  
Andreas Matzarakis ◽  
Sorin Cheval ◽  
Tzu-Ping Lin ◽  
Oded Potchter

Facing the impacts of climate change and urbanization, adaptation and resilience to climate extremes have become important issues of global concern. [...]


Author(s):  
Gordon Yenglier Yiridomoh ◽  
Samuel Ziem Bonye ◽  
Emmanuel Kanchebe Derbile ◽  
Victor Owusu

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