New 1,2,3‐triazole–(thio)barbituric acid hybrids as urease inhibitors: Design, synthesis, in vitro urease inhibition, docking study, and molecular dynamic simulation
Sign Up to like & getrecommendations! Published in 2020 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202000023
Abstract: A new series of 1,2,3‐triazole–(thio)barbituric acid hybrids 8a–n was designed and synthesized on the basis of potent pharmacophores with urease inhibitory activity. Therefore, these compounds were evaluated against Helicobacter pylori urease. The obtained result demonstrated… read more here.
Keywords: dynamic simulation; barbituric acid; triazole thio; thio barbituric ... See more keywords
Molecular dynamic simulation of orientation-dependent effect on silicon crystalline during sputtering process of focused ion beam
Sign Up to like & getrecommendations! Published in 2019 at "Microsystem Technologies"
DOI: 10.1007/s00542-018-4151-4
Abstract: In this paper, experiments and molecular dynamic simulation are performed to investigate the crystal orientation-dependent effects in a focused ion beam (FIB) sputtering etching process on silicon crystal planes. The experimental results indicate that different… read more here.
Keywords: dynamic simulation; orientation; orientation dependent; process ... See more keywords
Three-dimensional dynamic simulation of elastocapillarity
Sign Up to like & getrecommendations! Published in 2018 at "Meccanica"
DOI: 10.1007/s11012-017-0667-4
Abstract: At small scales, the interaction of multicomponent fluids and solids can be dominated by capillary forces giving rise to elastocapillarity. Surface tension may deform or even collapse slender structures and thus, cause important damage in… read more here.
Keywords: three dimensional; simulation elastocapillarity; dimensional dynamic; dynamic simulation ... See more keywords
Dynamic simulation studies for boiler draft
Sign Up to like & getrecommendations! Published in 2017 at "Applied Thermal Engineering"
DOI: 10.1016/j.applthermaleng.2017.03.043
Abstract: Abstract Increasingly strict NOx and SOx emission limits demand the fossil and fuel fired power industry to upgrade their gas treatment system with Flue Gas Desulphurization (FGD) and Selective Catalytic Reduction (SCR) equipment. To compensate… read more here.
Keywords: duct work; dynamic simulation; draft; flue gas ... See more keywords
Dynamic simulation of liquefied petroleum gas vaporisation for burners
Sign Up to like & getrecommendations! Published in 2018 at "Applied Thermal Engineering"
DOI: 10.1016/j.applthermaleng.2018.04.030
Abstract: Abstract This study numerically describes the transient behaviours of liquefied petroleum gas (LPG) natural vaporisation in a cylinder using an experimentally validated model. The model can be applied to easily predict transient compositions and thermophysical… read more here.
Keywords: dynamic simulation; gas; liquefied petroleum; vaporisation ... See more keywords
Life cycle, techno-economic and dynamic simulation assessment of bioelectrochemical systems: A case of formic acid synthesis.
Sign Up to like & getrecommendations! Published in 2018 at "Bioresource technology"
DOI: 10.1016/j.biortech.2018.01.071
Abstract: A novel framework, integrating dynamic simulation (DS), life cycle assessment (LCA) and techno-economic assessment (TEA) of a bioelectrochemical system (BES), has been developed to study for the first time wastewater treatment by removal of chemical… read more here.
Keywords: life cycle; techno economic; dynamic simulation; formic acid ... See more keywords
Dynamic simulation of unrestrained interlocking Tuned Liquid Damper blocks
Sign Up to like & getrecommendations! Published in 2017 at "Construction and Building Materials"
DOI: 10.1016/j.conbuildmat.2017.03.190
Abstract: Abstract The objective of the study is to develop a new construction material as an alternative for expensive dampers. A Tuned Liquid Damper (TLD) system that is cast in a concrete masonry unit has been… read more here.
Keywords: dynamic simulation; block; liquid damper; simulation unrestrained ... See more keywords
DFT and molecular dynamic simulation for the dielectric property analysis of polyimides
Sign Up to like & getrecommendations! Published in 2022 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2021.139131
Abstract: Abstract The dielectric properties of polyimides were analyzed by different theoretical methods, including the density functional theory (DFT) calculation for dielectric constant prediction and the molecular dynamic simulation for dielectric performance explanation. The best functional/basis… read more here.
Keywords: molecular dynamic; dft molecular; simulation dielectric; dielectric constant ... See more keywords
Dynamic simulation of management events for assessing impacts of climate change on pre-alpine grassland productivity
Sign Up to like & getrecommendations! Published in 2021 at "European Journal of Agronomy"
DOI: 10.1016/j.eja.2021.126306
Abstract: Highlights • Earlier onset of pre-alpine cut grassland growing season entails shifts to earlier cutting dates and more cuts per year.• Dynamic simulation of cutting dates can tackle these shifts if temperature and soil moisture… read more here.
Keywords: alpine grassland; climate change; grassland; pre alpine ... See more keywords
A mathematical model for the dynamic simulation of low size cogeneration gas turbines within smart microgrids
Sign Up to like & getrecommendations! Published in 2017 at "Energy"
DOI: 10.1016/j.energy.2016.11.033
Abstract: Microturbines represent a suitable technology to be adopted in smart microgrids since they are characterized by affordable capital and maintenance costs, high reliability and flexibility, and low environmental impact; moreover, they can be fed by… read more here.
Keywords: dynamic simulation; energy; cogeneration; smart microgrids ... See more keywords
Dynamic simulation of solar-powered ORC using Open-Source tools: a case study combining SAM and Coolprop via Python
Sign Up to like & getrecommendations! Published in 2022 at "Energy"
DOI: 10.1016/j.energy.2021.121935
Abstract: Abstract The lack of an open-source dynamic simulation framework integrated with well-established thermodynamic package represents a major constraint facing open-source software users in process industry. To overcome this limitation, many approaches can be adopted to… read more here.
Keywords: open source; dynamic simulation; sam coolprop; simulation ... See more keywords