College of Sciences and Mathematics: Recent submissions
Now showing items 221-240 of 399
Efficient evaluation of analytic Fukui functions
(2021-01-26)
An efficient method for the analytic evaluation of Fukui functions is proposed. Working equations
are derived and numerical results are used to validate the method on medium size set of molecules.
In addition to the ...
Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions
(2021-01-26)
Electron affinities, vertical electron detachment energies, and isomerization energies of 4-thiouracil, 2-thiouracil, and 2,4-dithiouracil and their valence anions have been calculated with ab initio electron propagator ...
Do Tropical Nickel Hyperaccumulators Mobilize Metals into Epiphytes? A Test Using Bryophytes from New Caledonia
(2021-01-04)
Hyperaccumulator plants mobilize large amounts of certain elements
from the soil into their tissues. Those elements then may be transferred to other organisms in those communities. Using a humid tropical forest site in ...
Variation of Morphology and Elemental Concentrations in the California Nickel Hyperaccumulator Streptanthus polygaloides (Brassicaceae)
(2021-01-04)
The Ni hyperaccumulator Strepthanthus polygaloides (Brassicaceae)
is one of a handful of Ni hyperaccumulators known from continental North
America. Surveys have revealed four distinctive morphs of this species, relying ...
Elemental Concentrations of Eleven New Caledonian Plant Species from Serpentine Soils: Elemental Correlations and Leaf-Age Effects
(2021-01-04)
- We investigated accumulation of elements (Ca, Co, Cr, Cu, Fe, K, Mg,
Mn, P, Pb, and Zn) in leaves of different ages for 11 evergreen woody plant species
from serpentine soils of New Caledonia. Species were classifi ed ...
Advances in Serpentine Geoecology: A Retrospective
(2021-01-04)
Rajakaruna, Nishanta, and Boyd, Robert S.
Interpretation of the photoelectron spectra of superalkali species: Li3O and Li3O-
(2020-10-02)
The present paper deals with the interpretation of the photoelectron spectrum of the Li3O-. After several failed attempts to attribute all of the observed peaks in the experimental spectrum to anionic species, neutral ...
Interpretation of the photoelectron spectra of superalkali species: Na3O and Na3O-
(2020-08-20)
Recently measured photoelectron spectra of the Na3O- anion have been interpreted with the aid of ab initio electron propagator calculations. As in the case of the Li3O-, we propose that the photoionization of ground and ...
On the accuracy of explicitly correlated coupled-cluster interaction energies - have orbital results been beaten yet?
(2020-08-20)
The basis set convergence of weak interaction energies for dimers of noble gases helium through
krypton is studied for six variants of the explicitly correlated, frozen geminal coupled-cluster singles, doubles, and ...
Valence and diffuse-bound anions of noble-gas complexes with uracil
(2020-08-20)
Valence-bound (VB) and diffuse-bound (DB) anions of noble-gas (Ar, Kr, and Xe) complexes with
uracil have been studied with ab initio methods. MP2 optimizations revealed minima corresponding
to anions of both kinds in ...
Subunit D of RNA Polymerase from Methanosarcina acetivorans Contains Two Oxygen-labile [4Fe-4S] Clusters IMPLICATIONS FOR OXIDANT-DEPENDENT REGULATION OF TRANSCRIPTION
(2020-08-20)
Subunit D of multisubunit RNA polymerase from many species of archaea is predicted to bind one to two iron-sulfur (Fe-S) clusters, the function of which is unknown. A survey of encoded subunit D in the genomes of sequenced ...
Data for: Ecologically relevant thermal fluctuations enhance offspring fitness: biological and methodological implications for studies of thermal developmental plasticity
(2020-08-03)
Natural thermal environments are notably complex and challenging to mimic in controlled studies. Consequently, our understanding of the ecological relevance and underlying mechanisms of organismal responses to thermal ...
Eukaryotic N-Glycosylation Occurs via the Membrane-anchored C-terminal Domain of the Stt3p Subunit of Oligosaccharyltransferase
(2020-07-24)
N-Glycosylation is an essential and highly conserved protein
modification. In eukaryotes, it is catalyzed by a multisubunit
membrane-associated enzyme, oligosaccharyltransferase (OT).
We report the high resolution ...
A Remodeled Protein Arginine Methyltransferase 1 (PRMT1) Generates Symmetric Dimethylarginine
(2020-07-24)
Protein arginine methylation is emerging as a significant post-translational modification involved in various cell processes and human diseases. As the major arginine methylation enzyme, protein arginine methyltransferase ...
Generation of anomalous flows near the bow shock by its interaction with interplanetary discontinuities
(2020-06-30)
Two-dimensional hybrid simulations using a curvilinear coordinate system are carried out to study the interaction of the Earth's bow shock (BS) with an interplanetary directional discontinuity. In particular, plasma flow ...
Three-dimensional MHD simulations of interplanetary rotational discontinuities impacting the Earth's bow shock and magnetosheath
(2020-06-30)
The first ever fully three-dimensional magnetohydrodynamic (MHD) simulations of the detailed effects of MHD discontinuities on the magnetosheath have been performed. The simulation results predict that the interaction ...
Solitary potential structures associated with ion and electron beams near 1 R-E altitude
(2020-06-30)
Small-scale solitary electric potential structures are commonly observed on auroral field lines with the Polar Electric Field Instrument (EFI). This study focuses on observations of solitary structures in the southern ...
Magnetic field rotation and transition width in rotational discontinuities and Alfven wave trains
(2020-06-30)
A hybrid simulation is carried out to study the evolution of magnetic field rotations in rotational discontinuities (RDs) and large-amplitude Alfven wave trains (AWTs) whose initial field rotation angle \Delta Phi\ > 180 ...
Two-dimensional hybrid simulation of the dayside reconnection layer and associated ion transport
(2020-06-30)
The structure of the reconnection layer at the dayside magnetopause is studied by using a two-dimensional (2-D) hybrid code. The simulation domain is a rectangle in the at plane around an X line at the magnetopause. In our ...