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Search for "in silico studies" in Full Text gives 4 result(s) in Beilstein Journal of Nanotechnology.

Targeting the vector of arboviruses Aedes aegypti with nanoemulsions based on essential oils: a review with focus on larvicidal and repellent properties

  • Laryssa Ferreira do Nascimento Silva,
  • Douglas Dourado,
  • Thayse Silva Medeiros,
  • Mariana Alice Gonzaga Gabú,
  • Maria Cecilia Queiroga dos Santos,
  • Daiane Rodrigues dos Santos,
  • Mylena Lemos dos Santos,
  • Gabriel Bezerra Faierstein,
  • Rosângela Maria Rodrigues Barbosa and
  • Fabio Rocha Formiga

Beilstein J. Nanotechnol. 2025, 16, 1894–1913, doi:10.3762/bjnano.16.132

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  • presents high levels of linalool (32.66%) and anethole (32.48%), in addition to α-selinene (0.82%) in their composition, which showed promising molecular affinity in in silico studies, despite its low concentration [76]. The oil was obtained by hydrodistillation and incorporated into the nanoemulsion
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Published 28 Oct 2025

Overview of mechanism and consequences of endothelial leakiness caused by metal and polymeric nanoparticles

  • Magdalena Lasak and
  • Karol Ciepluch

Beilstein J. Nanotechnol. 2023, 14, 329–338, doi:10.3762/bjnano.14.28

Graphical Abstract
  • repulsive-sediment interactions with a negatively charged glycocalyx [12]. Using 24 nm Au NPs with different surface charges, Wang et al. supported their hypothesis in in vitro and in silico studies [12]. Also, the concentration of NPs is an important factor regarding controlled leakiness. Au NPs of the
  • . Lee et al. recorded similar observations after examining the leakiness of human skin microvascular endothelial cells (HMVECs) after exposure to citrate-stabilized Au NPs of different sizes and concentrations. Using in vitro, ex vivo, and in silico studies, they confirmed the interaction mechanism of
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Published 08 Mar 2023

Graphynes: an alternative lightweight solution for shock protection

  • Kang Xia,
  • Haifei Zhan,
  • Aimin Ji,
  • Jianli Shao,
  • Yuantong Gu and
  • Zhiyong Li

Beilstein J. Nanotechnol. 2019, 10, 1588–1595, doi:10.3762/bjnano.10.154

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  • monolayer GY nanosheets of different morphologies, including α-GY, β-GY, γ-GY and 6612-GY, under supersonic-velocity impacts (from 1 to 6 km/s) based on in silico studies. Generally, cracks initiate at the geometry center and the nanosheet experiences significant out-of-plane deformation before the
  • : graphyne; in silico studies; stress wave propagation; supersonic-velocity impact; Introduction Owing to its versatile flexibility, carbon is able to form three different hybridization states namely sp, sp2 and sp3, which yields many kinds of carbon allotropes. Graphite and diamond are the two common
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Published 31 Jul 2019

Needs and challenges for assessing the environmental impacts of engineered nanomaterials (ENMs)

  • Michelle Romero-Franco,
  • Hilary A. Godwin,
  • Muhammad Bilal and
  • Yoram Cohen

Beilstein J. Nanotechnol. 2017, 8, 989–1014, doi:10.3762/bjnano.8.101

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  • chronic health effects of ENMs have not been conclusively identified in human populations [6], animal studies suggest that the ENMs exhibit mechanisms of respiratory toxicity similar to those of ambient ultrafine particles (UFPs) [7]. Furthermore, in vitro and in silico studies [8][9] suggest that
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Published 05 May 2017
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