Search results for "ATOMS"
showing 10 items of 208 documents
Solar PAR and UVR modify the community composition and photosynthetic activity of sea ice algae
2015
The effects of increased photosynthetically active radiation (PAR) and ultraviolet radiation (UVR) on species diversity, biomass and photosynthetic activity were studied in fast ice algal communities. The experimental set-up consisted of nine 1.44 m(2) squares with three treatments: untreated with natural snow cover (UNT), snow-free (PAR + UVR) and snow-free ice covered with a UV screen (PAR). The total algal biomass, dominated by diatoms and dinoflagellates, increased in all treatments during the experiment. However, the smaller biomass growth in the top 10-cm layer of the PAR + UVR treatment compared with the PAR treatment indicated the negative effect of UVR. Scrippsiella complex (mainly…
Probing the bond order wave phase transitions of the ionic Hubbard model by superlattice modulation spectroscopy
2017
An exotic phase, the bond order wave, characterized by the spontaneous dimerization of the hopping, has been predicted to exist sandwiched between the band and Mott insulators in systems described by the ionic Hubbard model. Despite growing theoretical evidences, this phase still evades experimental detection. Given the recent realization of the ionic Hubbard model in ultracold atomic gases, we propose here to detect the bond order wave using superlattice modulation spectroscopy. We demonstrate, with the help of time-dependent density-matrix renormalization group and bosonization, that this spectroscopic approach reveals characteristics of both the Ising and Kosterlitz-Thouless transitions …
Topological Devil's staircase in atomic two-leg ladders
2019
Abstract We show that a hierarchy of topological phases in one dimension—a topological Devil’s staircase—can emerge at fractional filling fractions in interacting systems, whose single-particle band structure describes a topological or a crystalline topological insulator. Focusing on a specific example in the BDI class, we present a field-theoretical argument based on bosonization that indicates how the system, as a function of the filling fraction, hosts a series of density waves. Subsequently, based on a numerical investigation of the low-lying energy spectrum, Wilczek–Zee phases, and entanglement spectra, we show that they are symmetry protected topological phases. In sharp contrast to t…
Coupled-cluster theory for atoms and molecules in strong magnetic fields
2015
An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges for the implementation stem from the magnetic-field dependence in the Hamiltonian, or, more precisely, the appearance of the angular momentum operator, due to which the wave function becomes complex and which introduces a gauge-origin dependence. For this reason, an implementation of a complex CC code is required together with the use of gauge-including atomic orbitals to ensure gauge-origin independence. Results of coupled-cluster singles-doubles-perturbative-triples (CCSD(T)) calculations are presented for atoms and molecules with a focus on the depende…
HfF+ as a candidate to search for the nuclear weak quadrupole moment
2018
Nuclei with a quadrupole deformation, such as $^{177}\mathrm{Hf}$ have enhanced weak quadrupole moment which induces the tensor weak electron-nucleus interaction in atoms and molecules. Corresponding parity-non-conserving (PNC) effect is strongly enhanced in the ${}^{3}{\mathrm{\ensuremath{\Delta}}}_{1}$ electronic state of the $^{177}\mathrm{HfF}^{+}$ cation which has very close opposite parity levels mixed by this tensor interaction. In the present paper we perform relativistic many-body calculations of this PNC effect. It is shown that the tensor weak interaction induced by the weak quadrupole moment gives the dominating contribution to the PNC effects in $^{177}\mathrm{HfF}^{+}$ which s…
Eight-membered heterocycles with two heteroatoms in a 1,3-relationship of interest in medicinal chemistry
2022
This chapter deals with 1,3-diheterocines, eight-membered heterocyclic systems with two heteroatoms, N, O and S, in a 1,3 relationship, exhibiting biological properties and exhaustively covers the literature from 2007 to the end of November 2019. The biological results of 1,3-diazocines, 1,3-oxazocines, 1,3-dioxocins and 1,3-thiazocines, that are the largest class of 1,3-diheterocines, were collected together with the few results available for 1,3-oxathiocin and 1,3-dithiocin derivatives at that time.
Dynamic Molecular Graphs: “Hopping” Structures
2013
This work aims to contribute to the discussion about the suitability of bond paths and bond-critical points as indicators of chemical bonding defined within the theoretical framework of the quantum theory of atoms in molecules. For this purpose, we consider the temporal evolution of the molecular structure of [Fe{C(CH2 )3 }(CO)3 ] throughout Born-Oppenheimer molecular dynamics (BOMD), which illustrates the changing behaviour of the molecular graph (MG) of an electronic system. Several MGs with significant lifespans are observed across the BOMD simulations. The bond paths between the trimethylenemethane and the metallic core are uninterruptedly formed and broken. This situation is reminiscen…
Yeast β-glucans and microalgal extracts modulate the immune response and gut microbiome in Senegalese sole (Solea senegalensis)
2019
One bottleneck to sustainability of fish aquaculture is the control of infectious diseases. Current trends include the preventive application of immunostimulants and prebiotics such as polysaccharides. The present study investigated how yeast β-glucan (Y), microalgal polysaccharide-enriched extracts (MAe) and whole Phaeodactylum tricornutum cells (MA) modulated the gut microbiome and stimulated the immune system in Senegalese sole (Solea senegalensis) when administered by oral intubation. Blood, intestine and spleen samples were taken at 3 h, 24 h, 48 h and 7 days after treatment. The short-term response (within 48 h after treatment) consisted of up-regulation of il1b and irf7 expression in…
Circular dichroism of magnetically induced transitions for D 2 lines of alkali atoms
2018
In this letter we study magnetic circular dichroism in alkali atoms exhibiting asymmetric behaviour of magnetically induced transitions. The magnetic field induces transitions between hyperfine levels of alkali atoms and in the range of magnetic field, the intensities of these transitions experience significant enhancement. We have inferred a general rule applicable for the D 2 lines of all alkali atoms, that is the transition intensity enhancement is around four times larger for the case of than for excitation for , whereas it is several hundreds of thousand times larger in the case of than that for polarization for . This asymmetric behaviour results in circular dichroism. For experimenta…
Zinc isotope variations in archeological human teeth (Lapa do Santo, Brazil) reveal dietary transitions in childhood and no contamination from gloves
2020
International audience; Zinc (Zn) isotope ratios of dental enamel are a promising tracer for dietary reconstruction in archeology, but its use is still in its infancy. A recent study demonstrated a high risk of Zn contamination from nitrile, and latex gloves used during chemical sample preparation. Here we assess the potential impact of the use of such gloves during enamel sampling on the Zn isotope composition of teeth from a population of early Holocene hunter gatherers from Lapa do Santo, Lagoa Santa, Minas Gerais, Brazil. We first examined the amount of Zn and its isotopic composition released from the gloves used in this study by soaking them in weak nitric acid and water. We compared …