The structures of the mono- and the dihalogenated N-unsubstituted 2-aminobenzamides were characterized by means of the spectroscopic (¹H-NMR, UV-Vis, FT-IR, and FT-Raman) and X-ray crystallographic techniques complemented with a density functional theory (DFT) method. The hindered rotation of the C(O)-NH₂ single bond resulted in non-equivalence of the amide protons and therefore two distinct re...

The monofunctional platinum anticancer agent phenanthriplatin generates covalent adducts with the purine bases guanine and adenine. Preferential nucleotide binding was investigated by using a polymerase stop assay and linear DNA amplification with a 163-base pair DNA double helix. Similarly to cisplatin, phenanthriplatin forms the majority of adducts at guanosine residues, but significant diffe...

Cluster and spin dynamics of a Sc(3)N@C(80)(CF(3))(2) derivative are studied by DFT in different charge states, from -3 to +1. For the neutral Sc(3)N@C(80)(CF(3))(2), static DFT computations of many cluster conformers as well as Born-Oppenheimer molecular dynamics (BOMD) show that addition of two CF(3) groups to Sc(3)N@C(80) significantly changes dynamics of the Sc(3)N cluster: instead of free ...

Using neutron inelastic scattering and diffraction, we have studied the quantum methyl rotation in zeolitic imidazolate framework-8 (ZIF-8: Zn(MeIM)(2), MeIM = 2-methylimidazolate). The rotational potential for the CH(3) groups in ZIF-8 is shown to be primarily 3-fold in character. The ground-state tunneling transitions at 1.4 K of 334 +/- 1 mueV for CH(3) groups in hydrogenated ZIF-8 (H-ZIF-8)...

Spatially resolved velocity profiles are presented for nine faint field galaxies in the redshift range 0.1 ∼ < z ∼ < 1, based on moderate–resolution spectroscopy obtained with the Keck 10 m telescope. These data were augmented with high–resolution Hubble Space Telescope images from WFPC2, which provided V and I photometry, galaxy type, orientation, and inclination. The effects of seeing, slit w...

[reaction: see text] A high-yielding method is described for the rapid synthesis of very hindered cyclohexenes by the Diels-Alder reaction of hindered silyloxy dienes and dienophiles using the mixed Lewis acid catalyst system (AlBr(3)/AlMe(3)). Thus, reaction of the hindered diene 4 with various substituted enones gave good yields of the expected cycloadducts even though both partners are quite...

Two catalysts, Me(2)AlNTf(2) and MeAl(NTf(2))(2), derived from the mixing of trimethylaluminum with triflimide, proved to be highly effective catalysts in hindered Diels-Alder reactions, generating the desired Diels-Alder cycloadducts from both hindered 2-silyloxydienes and hindered dienophiles. Thus reaction of 1 with 2 afforded the hindered cycloadduct 4 in excellent yield in 0.5-1.5 h at -40...

The measurement of d coefficients from second-harmonic efficiencies in crystal spheres is studied. KH2PO4 is used as a reference for measurements in spheres and with the Maker-fringes technique. As an example, unknown d coefficients in an orthorhombic mannitol, C6H14O6, in which large coefficients of optical rotation have recently been measured, are determined as d123 = 0.06(2) pm V −1 and comp...

Kirsty Hannam,1,* David A. Powell,1 Ilya V. Shadrivov,1 and Yuri S. Kivshar1,2 1Nonlinear Physics Center, Research School of Physics and Engineering, Australian National University, Canberra, Australian Capital Territory 0200, Australia 2National Research University of Information Technology, Mechanics and Optics, St. Petersburg 197101, Russia (Received 23 January 2014; revised manuscript recei...