58 research outputs found
Low-energy Antiproton Interaction with Helium
An ab initio potential for the interaction of the neutral helium atom with
antiprotons and protons is calculated using the Born-Oppenheimer approximation.
Using this potential, the annihilation cross section for antiprotons in the
energy range 0.01 microvolt to 1 eV is calculated.Comment: 13 pages, 7 figures, LaTe
Theory and applications of atomic and ionic polarizabilities
Atomic polarization phenomena impinge upon a number of areas and processes in
physics. The dielectric constant and refractive index of any gas are examples
of macroscopic properties that are largely determined by the dipole
polarizability. When it comes to microscopic phenomena, the existence of
alkaline-earth anions and the recently discovered ability of positrons to bind
to many atoms are predominantly due to the polarization interaction. An
imperfect knowledge of atomic polarizabilities is presently looming as the
largest source of uncertainty in the new generation of optical frequency
standards. Accurate polarizabilities for the group I and II atoms and ions of
the periodic table have recently become available by a variety of techniques.
These include refined many-body perturbation theory and coupled-cluster
calculations sometimes combined with precise experimental data for selected
transitions, microwave spectroscopy of Rydberg atoms and ions, refractive index
measurements in microwave cavities, ab initio calculations of atomic structures
using explicitly correlated wave functions, interferometry with atom beams, and
velocity changes of laser cooled atoms induced by an electric field. This
review examines existing theoretical methods of determining atomic and ionic
polarizabilities, and discusses their relevance to various applications with
particular emphasis on cold-atom physics and the metrology of atomic frequency
standards.Comment: Review paper, 44 page
Ectopic callose deposition into woody biomass modulates the nano-architecture of macrofibrils
Plant biomass plays an increasingly important role in the circular bioeconomy, replacing non-renewable fossil resources. Genetic engineering of this lignocellulosic biomass could benefit biorefinery transformation chains by lowering economic and technological barriers to industrial processing. However, previous efforts have mostly targeted the major constituents of woody biomass: cellulose, hemicellulose and lignin. Here we report the engineering of wood structure through the introduction of callose, a polysaccharide novel to most secondary cell walls. Our multiscale analysis of genetically engineered poplar trees shows that callose deposition modulates cell wall porosity, water and lignin contents and increases the lignin-cellulose distance, ultimately resulting in substantially decreased biomass recalcitrance. We provide a model of the wood cell wall nano-architecture engineered to accommodate the hydrated callose inclusions. Ectopic polymer introduction into biomass manifests in new physico-chemical properties and offers new avenues when considering lignocellulose engineering.Bourdon et al. demonstrate the possibility to ectopically synthesize callose, a polymer restricted to primary cell walls, into Arabidopsis and aspen secondary cell walls to manipulate their ultrastructure and ultimately reduce their recalcitrance
Structural Insights from Binding Poses of CCR2 and CCR5 with Clinically Important Antagonists: A Combined In Silico Study
Chemokine receptors are G protein-coupled receptors that contain seven transmembrane domains. In particular, CCR2 and CCR5 and their ligands have been implicated in the pathophysiology of a number of diseases, including rheumatoid arthritis and multiple sclerosis. Based on their roles in disease, they have been attractive targets for the pharmaceutical industry, and furthermore, targeting both CCR2 and CCR5 can be a useful strategy. Owing to the importance of these receptors, information regarding the binding site is of prime importance. Structural studies have been hampered due to the lack of X-ray crystal structures, and templates with close homologs for comparative modeling. Most of the previous models were based on the bovine rhodopsin and β2-adrenergic receptor. In this study, based on a closer homolog with higher resolution (CXCR4, PDB code: 3ODU 2.5 Å), we constructed three-dimensional models. The main aim of this study was to provide relevant information on binding sites of these receptors. Molecular dynamics simulation was done to refine the homology models and PROCHECK results indicated that the models were reasonable. Here, binding poses were checked with some established inhibitors of high pharmaceutical importance against the modeled receptors. Analysis of interaction modes gave an integrated interpretation with detailed structural information. The binding poses confirmed that the acidic residues Glu291 (CCR2) and Glu283 (CCR5) are important, and we also found some additional residues. Comparisons of binding sites of CCR2/CCR5 were done sequentially and also by docking a potent dual antagonist. Our results can be a starting point for further structure-based drug design
Static and dynamic dipole polarizability of the helium atom using wave functions involving logarithmic terms
Genome sequencing and population genomic analyses provide insights into the adaptive landscape of silver birch
Silver birch (Betula pendula) is a pioneer boreal tree that can be induced to flower within 1 year. Its rapid life cycle, small (440-Mb) genome, and advanced germplasm resources make birch an attractive model for forest biotechnology. We assembled and chromosomally anchored the nuclear genome of an inbred B. pendula individual. Gene duplicates from the paleohexaploid event were enriched for transcriptional regulation, whereas tandem duplicates were overrepresented by environmental responses. Population resequencing of 80 individuals showed effective population size crashes at major points of climatic upheaval. Selective sweeps were enriched among polyploid duplicates encoding key developmental and physiological triggering functions, suggesting that local adaptation has tuned the timing of and cross-talk between fundamental plant processes. Variation around the tightly-linked light response genes PHYC and FRS10 correlated with latitude and longitude and temperature, and with precipitation for PHYC. Similar associations characterized the growth-promoting cytokinin response regulator ARR1, and the wood development genes KAK and MED5A.Peer reviewe
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