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We present calculations for the Arg-H2O system and predict that the zwitterionic Arg is thermodynamically more stable than the canonical form in the gas phase under the influence of a single water molecule because of the strongly basic guanidine side chain. Canonical conformers of Arg-H2O are found to isomerize to the zwitterionic forms via a small barrier(More)
Long noncoding RNAs (lncRNAs) have emerged as regulators of diverse biological processes. Here, we describe the initial functional analysis of a poorly characterized human lncRNA (LINC00657) that is induced after DNA damage, which we termed "noncoding RNA activated by DNA damage", or NORAD. NORAD is highly conserved and abundant, with expression levels of(More)
We discuss the implications of approximate particle-hole symmetry in a half-filled Landau level in which a paired quantum Hall state forms. We note that the Pfaffian state is not particle-hole symmetric. Therefore, in the limit of vanishing Landau-level mixing, in which particle-hole transformation is an exact symmetry, the Pfaffian spontaneously breaks(More)
An enzyme-linked immunosorbent assay (ELISA) using bulk tank milk samples was evaluated as a screening test for bovine tuberculosis (TB), a contagious chronic disease of cattle. An ELISA with MPB70, a major antigen of Mycobacterium bovis was performed using paired sets of milk and sera samples from 33 tuberculin-positive and 43 tuberculin-negative cattle.(More)
Precise regulation of microRNA (miRNA) expression is critical for diverse physiologic and pathophysiologic processes. Nevertheless, elucidation of the mechanisms through which miRNA expression is regulated has been greatly hindered by the incomplete annotation of primary miRNA (pri-miRNA) transcripts. While a subset of miRNAs are hosted in protein-coding(More)
We present calculations for the mechanism and the barrier heights of tautomerization of adenine. We find various pathways for the 9(H) <--> 7(H) and 9(H) <--> 3(H) tautomerization. One mechanism for the 9(H) --> 7(H) tautomerization involves an sp(3)- or carbene-type intermediate, whereas the other proceeds via imine intermediates. Tautomerization from the(More)
We formulate a U(1) gauge theory of the Hubbard model in the slave-rotor representation. From this formalism it is argued that spin liquid phases may exist near the Mott transition in the Hubbard model on triangular and honeycomb lattices at half filling. The organic compound kappa-(BEDT-TTF)2Cu2(CN)3 is a good candidate for the spin liquid state on a(More)
Aprotic solvents are usually preferred for the SN2 reactions, because nucleophilicity and hence SN2 reactivity are severely retarded by the influence of the partial positive charge of protic solvents. In this work, we introduce a remarkable effect of using tertiary alcohols as a reaction medium for nucleophilic fluorination with alkali metal fluorides. In(More)
Bioconjugated CdSe quantum dots are promising reagents for bioimaging applications. Experimentally, the binding of a short peptide has been found to redshift the optical absorption of nanoclusters [J. Tsay et al., J. Phys. Chem. B 109, 1669 (2005)]. This study examines this issue by performing density functional theory (DFT) and time-dependent-DFT(More)
We present density functional theory (DFT) and time-dependent DFT (TD-DFT) study of the structures and electronic spectra of small CdSe nanocluster-adenine complexes Cd(n)Se(n)-adenine (n = 3, 6, 10, 13). We examine the changes in the geometries and excitation spectra of the nanoclusters induced by DNA base-binding. By comparing the results calculated for(More)