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Self-consistent field ab initio calculations using a previously published, optimized basis set [J. Chem. Phys. 94 (1991) 6677] and second-order Møller-Plesset (MP2) perturbation theory are used in a study of the ArHCl intermolecular potential. The ab initio results are compared to the recently published H6(4, 3, 0) potential-energy surface [J. Phys. Chem. 96 (1992) 4237]. Good agreement is obtaine
The Protein Ensemble Database (PED) (https://proteinensemble.org), which holds structural ensembles of intrinsically disordered proteins (IDPs), has been significantly updated and upgraded since its last release in 2016. The new version, PED 4.0, has been completely redesigned and reimplemented with cutting-edge technology and now holds about six times more data (162 versus 24 entries and 242 vers
Increased levels of plasma calprotectin are reported in patients with infectious diseases. However, the clinical usefulness of calprotectin as a biomarker to identify patients with infectious diseases in the emergency department (ED) setting has not been investigated. To study the ability of calprotectin to discriminate patients with acute infectious diseases and dyspnea from patients with other c
To increase the understanding of the relationship between structure and function in individuals with damage to the brain from different stages of maturation of the visual system, we examined 16 teenagers and young adults. We used diffusion-weighted magnetic resonance imaging (MRI) and fiber tractography of the optic radiation (OR) and optical coherence tomography (OCT) of the peripapillary retinal
Galectin-8 is a carbohydrate-binding protein that plays a crucial role in tumor progression and metastasis, antibacterial autophagy, modulation of the immune system, and bone remodeling. The design, synthesis, and protein affinity evaluation of a set of C-3 substituted benzimidazole and quinoline d-galactal derivatives identified a d-galactal-benzimidazole hybrid as a selective ligand for the gale
Thermal models and indices integrated into a mobile application could provide relevant information regarding thermal stress and strain to the general public. The aim of the current paper is to validate such a mobile application, ClimApp, to the users needs in the heat. ClimApp combines weather data with personal user data, thermal models and indices to estimate the thermal strain of the user. The
The 2015 Paris Agreement aims to strengthen the global response to climate change, and to maintain an average global temperature well below 2°C, with aspirations toward 1.5°C, by means of balancing sources and sinks of greenhouse gas emissions. Following this, the importance of carbon dioxide removal in global emission pathways has been further emphasized, and Negative Emissions Technologies (NETs
We report the strain and stress relationships for the three lowest energy direct band to band transitions at the Brillouin zone center in monoclinic β-Ga2O3. These relationships augment four linear perturbation parameters for situations, which maintain the monoclinic symmetry, which are reported here as numerical values obtained from density functional theory calculations. With knowledge of these
Globally, households are shrinking – more and more people are living alone. In 2016, almost two thirds of all households in the EU were composed of one or two people, with shrinking households also prevalent around the world. As countries move up the human development index, households are expected to continue to shrink.
This letter presents a combination of searches for Higgs boson pair production using up to 36.1 fb−1 of proton–proton collision data at a centre-of-mass energy s=13 TeV recorded with the ATLAS detector at the LHC. The combination is performed using six analyses searching for Higgs boson pairs decaying into the bb¯bb¯, bb¯W+W−, bb¯τ+τ−, W+W−W+W−, bb¯γγ and W+W−γγ final states. Results are presented
We report a search for Higgs bosons that are produced via vector boson fusion and subsequently decay into invisible particles. The experimental signature is an energetic jet pair with invariant mass of O(1)TeV and O(100)GeV missing transverse momentum. The analysis uses 36.1 fb−1 of pp collision data at s=13TeV recorded by the ATLAS detector at the LHC. In the signal region the 2252 observed event
Some plants use food bodies to attract ants that then provide protection from herbivory. A brief report from 1898 describes the myrmecophilic plant Leea aculeata Bl. as bearing food bodies on its young shoots, which accumulate when they are not harvested by ants. However, ant efficacy in deterring herbivores and consequences for herbivory rates remain unknown. Here we investigate (1) which ant tax
