Syzgantseva, Maria A. Ireland, Christopher Patrick Ebrahim, Fatmah Mish Smit, Berend Syzgantseva, Olga A.
Published in
Journal of the American Chemical Society
Targeted modification of electronic structure is an important step in the optimization of metal–organic frameworks (MOFs) for photovoltaic, sensing, and photocatalytic applications. The key parameters to be controlled include the band gap, the absolute energy position of band edges, the excited state charge separation, and degree of hybridization b...
Mace, Amber Barthel, Senja Smit, Berend
Published in
Journal of Chemical Theory and Computation
For large-scale screening studies there is a need to estimate the diffusion of gas molecules in nanoporous materials more efficiently than (brute force) molecular dynamics. In particular for systems with low diffusion coefficients molecular dynamics can be prohibitively expensive. An alternative is to compute the hopping rates between adsorption si...
Paglione, Marco Decesari, Stefano Rinaldi, Matteo Tarozzi, Leone Manarini, Francesco Gilardoni, Stefania Facchini, Maria Cristina Fuzzi, Sandro Bacco, Dimitri Trentini, Arianna
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Published in
Environmental Science & Technology
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Dekker, Riande I Deblais, Antoine Velikov, Krassimir P Veenstra, Peter Colin, Annie Kellay, Hamid Kegel, Willem K Bonn, Daniel
There is a large debate on the destabilization mechanism of emulsions. We present a simple technique using mechanical compression to destabilize oil-in-water emulsions. Upon compression of the emulsion, the continuous aqueous phase is squeezed out, while the dispersed oil phase progressively deforms from circular to honeycomb-like shapes. The films...
Elia, Uri Ramishetti, Srinivas Rosenfeld, Ronit Dammes, Niels Bar-Haim, Erez Naidu, Gonna Somu Makdasi, Efi Yahalom-Ronen, Yfat Tamir, Hadas Paran, Nir
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Published in
ACS nano
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been identified as the causal agent of COVID-19 and stands at the center of the current global human pandemic, with death toll exceeding one million. The urgent need for a vaccine has led to the development of various immunization approaches. mRNA vaccines represent a cell-free, simpl...
Sato, Toyoto Mochizuki, Tomohiro Ikeda, Kazutaka Honda, Takashi Otomo, Toshiya Sagayama, Hajime Yang, Heena Luo, Wen Lombardo, Loris Züttel, Andreas
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Published in
ACS Omega
The hydrogen storage properties and crystal structures of YMgNi4-based alloys, which were synthesized from (2 – x )YNi2 and x MgNi2 (0.6 ≤ x ≤ 1.2), were investigated by pressure–composition–temperature measurements and powder neutron diffraction at a deuterium gas pressure to understand the hydrogen absorption and desorption reactions viewed from ...
Zhu, Yingdi Lesch, Andreas Li, Xiaoyun Lin, Tzu-En Gasilova, Natalia Jović, Milica Pick, Horst Matthias Ho, Ping-Chih Girault, Hubert H.
Published in
Jacs Au
Skin problems are often overlooked due to a lack of robust and patient-friendly monitoring tools. Herein, we report a rapid, noninvasive, and high-throughput analytical chemical methodology, aiming at real-time monitoring of skin conditions and early detection of skin disorders. Within this methodology, adhesive sampling and laser desorption ioniza...
Zhang, Ying Zheng, Zhao Si, Yitao Sa, Baisheng Li, Hengyi Yu, Tao Wen, Cuilian Wu, Bo
Published in
ACS Omega
Recently, nonclassical fullerene derivatives C66H4 and C70Cl6, which both contain two negatively curved moieties of heptagons, have been successfully synthesized. Inspired by these experimental achievements, the structural and electronic properties of C66H4, C70Cl6, [email protected], [email protected], [email protected], and [email protected] were systematical studied through densit...
Alhumaydhi, Fahad A. Rauf, Abdur Rashid, Umer Bawazeer, Saud Khan, Khalid Mubarak, Mohammad S. Aljohani, Abdullah S. M. Khan, Haroon El-Saber Batiha, Gaber El-Esawi, Mohamed A.
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Published in
ACS Omega
Pistacia integerrima leaf galls are used in several traditional medicines to cure many diseases such as diarrhea, asthma, fever, cough, vomiting, and hepatitis. The main goal of the present investigation was to assess the antidiarrheal effect of the Pistacia integerrima extracts/fractions and four isolated flavonoid compounds ( 1–4 ) on mice. An in...
Andrian, Teodora Delcanale, Pietro Pujals, Silvia Albertazzi, Lorenzo
Published in
Nano letters
The functionalization of nanoparticles with functional moieties is a key strategy to achieve cell targeting in nanomedicine. The interplay between size and ligand number is crucial for the formulation performance and needs to be properly characterized to understand nanoparticle structure-activity relations. However, there is a lack of methods able ...
