Tootfinder

"‘Sheer foolishness’: Reported delay to UK’s Deposit Return Scheme sparks anger in green economy"
#UK #UnitedKingdom #Plastic

Comical snark
Not entirely fair, because there _are_ some doctors looking into Long Covid properly...
"Physicians can help you with post Covid symptoms about as much as toddlers with one of those pretend doctor kits. Actually, the toddler probably has better advice because they might actually say something helpful like “take a nap” instead of the “deconditioning” BS from the “trained” physicians (who have nearly zero training in post-viral pathologies)."
#LongCovid

Highly dispersed Ru nanoparticles anchored on NiAl layered double oxides catalyst for selective hydrodeoxygenation of vanillin
Yongjian Zeng, Lu Lin, Di Hu, Zhiwei Jiang, Shaimaa Saeed, Ruichao Guo, Ibrahim Ashour, Kai Yan
https://arxiv.org/abs/2403.16433

Highly dispersed Ru nanoparticles anchored on NiAl layered double oxides catalyst for selective hydrodeoxygenation of vanillin
The hydrodeoxygenation (HDO) of lignin-derived feedstocks into value-added chemicals with high efficiency and selectivity is desirable for the utilization of biomass resource. The complex oxygen-containing groups of lignin-derived substance result in the challenge of the low selectivity toward the required product. In this work, highly dispersed Ru nanoparticles anchored on Ni3Al1 layered double oxides (LDOs) catalyst derived from NiAl layered double hydroxides (LDHs) with flower-shaped morphol…

Simulations and Performance Studies of a MAPS in 65 nm CMOS Imaging Technology
Adriana Simancas, Justus Braach, Eric Buschmann, Ankur Chauhan, Dominik Dannheim, Manuel Del Rio Viera, Katharina Dort, Doris Eckstein, Finn Feindt, Ingrid-Maria Gregor, Karsten Hansen, Lennart Huth, Larissa Mendes, Budi Mulyanto, Daniil Rastorguev, Christian Reckleben, Sara Ruiz Daza, Judith Schlaadt, Paul Sch\"utze, Walter Snoeys, Simon Spannagel, Marcel Stanitzki, Anastasiia Velyka, Gianpiero Vignola…

Simulations and Performance Studies of a MAPS in 65 nm CMOS Imaging Technology
Monolithic active pixel sensors (MAPS) produced in a 65 nm CMOS imaging technology are being investigated for applications in particle physics. The MAPS design has a small collection electrode characterized by an input capacitance of ~fF, granting a high signal-to-noise ratio and low power consumption. Additionally, the 65 nm CMOS imaging technology brings a reduction in material budget and improved logic density of the readout circuitry, compared to previously studied technologies. Given these…

Investigating the missing wedge problem in small-angle x-ray scattering tensor tomography across real and reciprocal space
Leonard C. Nielsen, Torne T\"anzer, Irene Rodriguez-Fernandez, Paul Erhart, Marianne Liebi
https://arxiv.org/abs/2404.14540

Investigating the missing wedge problem in small-angle x-ray scattering tensor tomography across real and reciprocal space
Small-angle scattering tensor tomography is a technique for studying anisotropic nanostructures of millimeter-sized samples in a volume-resolved manner. It requires the acquisition of data through repeated tomographic rotations about an axis which is subjected to a series of tilts. The tilt that can be achieved with a typical setup is geometrically constrained, which leads to limits in the set of directions from which the different parts of the reciprocal-space map can be probed. Here, we chara…

TrustMol: Trustworthy Inverse Molecular Design via Alignment with Molecular Dynamics
Kevin Tirta Wijaya, Navid Ansari, Hans-Peter Seidel, Vahid Babaei
https://arxiv.org/abs/2402.16930

TrustMol: Trustworthy Inverse Molecular Design via Alignment with Molecular Dynamics
Data-driven generation of molecules with desired properties, also known as inverse molecular design (IMD), has attracted significant attention in recent years. Despite the significant progress in the accuracy and diversity of solutions, existing IMD methods lag behind in terms of trustworthiness. The root issue is that the design process of these methods is increasingly more implicit and indirect, and this process is also isolated from the native forward process (NFP), the ground-truth function…

How accurately can quantitative imaging methods be ranked without ground truth: An upper bound on no-gold-standard evaluation
Yan Liu, Abhinav K. Jha
https://arxiv.org/abs/2403.16873

How accurately can quantitative imaging methods be ranked without ground truth: An upper bound on no-gold-standard evaluation
Objective evaluation of quantitative imaging (QI) methods with patient data, while important, is typically hindered by the lack of gold standards. To address this challenge, no-gold-standard evaluation (NGSE) techniques have been proposed. These techniques have demonstrated efficacy in accurately ranking QI methods without access to gold standards. The development of NGSE methods has raised an important question: how accurately can QI methods be ranked without ground truth. To answer this quest…

Ultrafast excitonic dynamics in DNA: Bridging correlated quantum dynamics and sequence dependence
D. Herb, M. Rossini, J. Ankerhold
https://arxiv.org/abs/2402.16892

Ultrafast excitonic dynamics in DNA: Bridging correlated quantum dynamics and sequence dependence
After photo-excitation of DNA, the excited electron (in the LUMO) and the remaining hole (in the HOMO) localized on the same DNA base form a bound pair, called the Frenkel exciton, due to their mutual Coulomb interaction. In this study, we demonstrate that a tight-binding (TB) approach, parametrized by ab initio data, allows to correlate relaxation properties, average charge separation, and dipole moments to a large ensemble of double-stranded DNA sequences (all 16,384 possible sequences with 1…

A MASH simulation of the photoexcited dynamics of cyclobutanone
Joseph E. Lawrence, Imaad M. Ansari, Jonathan R. Mannouch, Meghna A. Manae, Kasra Asnaashari, Aaron Kelly, Jeremy O. Richardson
https://arxiv.org/abs/2402.10410

A MASH simulation of the photoexcited dynamics of cyclobutanone
In response to a community prediction challenge, we simulate the nonadiabatic dynamics of cyclobutanone using the mapping approach to surface hopping (MASH). We consider the first 500 fs of relaxation following photo-excitation to the S2 state and predict the corresponding time-resolved electron-diffraction signal that will be measured by the planned experiment. 397 ab-initio trajectories were obtained on the fly with state-averaged complete active space self-consistent field (SA-CASSCF) using …