The digital lab manager: Automating research support

Autor: Simon D. Rihm, Yong Ren Tan, Wilson Ang, Markus Hofmeister, Xinhong Deng, Michael Teguh Laksana, Hou Yee Quek, Jiaru Bai, Laura Pascazio, Sim Chun Siong, Jethro Akroyd, Sebastian Mosbach, Markus Kraft

Publikováno v: SLAS Technology, Vol 29, Iss 3, Pp 100135- (2024)

Laboratory management automation is essential for achieving interoperability in the domain of experimental research and accelerating scientific discovery. The integration of resources and the sharing of knowledge across organisations enable scientifi

Externí odkaz: https://doaj.org/article/d7a54c3a5e0c47d19ed360c087192e07

Reactive localized π-radicals on rim-based pentagonal rings: Properties and concentration in flames

Autor: Dingyu Hou, Gustavo Leon, Laura Pascazio, Angiras Menon, Jacob W. Martin, Markus Kraft, Xiaoqing You

Publikováno v: Proceedings of the Combustion Institute. 38:565-573

The impact of localized π-radicals on soot formation is explored by considering their electronic structure and computing their relative concentrations in flame conditions. Electronic structure calculations reveal that the presence of localized π-ra

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::e2826b6af6aefd53528b9104770763c8
https://doi.org/10.1016/j.proci.2020.07.042

Surface properties of heterogeneous polycyclic aromatic hydrocarbon clusters

Autor: Laura Pascazio, Dongping Chen, Kimberly Bowal, Markus Kraft, Hongyu Wang

Publikováno v: Proceedings of the Combustion Institute. 38:1115-1123

In this paper we investigate the impact of molecular inhomogeneity on the surface properties of soot particles. Using replica exchange molecular dynamics and solvent-excluded surface analysis, we evaluate detailed surface properties directly from par

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0de25a14b63dfcd38b0aa05747781564
https://doi.org/10.1016/j.proci.2020.06.123

Atomic insights into the sintering process of polycyclic aromatic hydrocarbon clusters

Autor: Markus Kraft, Qingzhao Chu, Dingyu Hou, Dongping Chen, Xiaoqing You, Laura Pascazio

Publikováno v: Proceedings of the Combustion Institute. 38:1181-1188

In this work, we studied the sintering process of two homogeneous polycyclic aromatic hydrocarbon (PAH) clusters with diameters in the range of 3–6 nm using molecular dynamics (MD) simulations. The sintering process was quantified through monitorin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::01330df50a05ae8646e6e815d2fd543a
https://doi.org/10.1016/j.proci.2020.06.368

?-Diradical Aromatic Soot Precursors in Flames

Autor: Fabian Schulz, Leo Gross, Laura Pascazio, Angiras Menon, Katharina Kaiser, Andrea D’Anna, Jethro Akroyd, Jacob W. Martin, Markus Kraft, Mario Commodo

Publikováno v: Journal of the American Chemical Society
143 (2021): 12212–12219. doi:10.1021/jacs.1c05030
info:cnr-pdr/source/autori:Martin J.W.; Pascazio L.; Menon A.; Akroyd J.; Kaiser K.; Schulz F.; Commodo M.; D'Anna A.; Gross L.; Kraft M./titolo:?-Diradical Aromatic Soot Precursors in Flames/doi:10.1021%2Fjacs.1c05030/rivista:Journal of the American Chemical Society (Print)/anno:2021/pagina_da:12212/pagina_a:12219/intervallo_pagine:12212–12219/volume:143

Soot emitted from incomplete combustion of hydrocarbon fuels contributes to global warming and causes human disease. The mechanism by which soot nanoparticles form within hydrocarbon flames is still an unsolved problem in combustion science. Mechanis

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::767a1cffacf0f80b2f4bb23bebaa0fbe
http://www.scopus.com/record/display.url?eid=2-s2.0-85113154684&origin=inward