Structure versus electron effects in the growth mode of pentacene on metal-induced Si(111)-square root(3) x square root(3) surfaces

The growth of pentacene films on different metal (Ga, Pb, Bi, Ag) induced Si(111)-(square root(3) x square root(3))R30 degrees surfaces is investigated by scanning tunneling microscopy. On surfaces with high atomic surface roughness, such as GaSi-square root(3), beta-PbSi-square root(3), and alpha-BiSi-square root(3), pentacene forms an initial disordered wetting layer followed by the growth of crystalline thin films. The growth behavior is independent of the metallicity of the substrate surface in this regime. On the other hand, on surfaces with low adatom surface roughness, pentacene molecules form self-organized structures without forming a wetting layer. Moreover, the molecular orientation is critically dependent on the surface metallicity. This work reveals that the growth mode of pentacene on solid surfaces is determined by the combined effects of structural and electronic properties of the substrate.     

Langevin dynamics for rigid bodies of arbitrary shape

We present an algorithm for carrying out Langevin dynamics simulations on complex rigid bodies by incorporating the hydrodynamic resistance tensors for arbitrary shapes into an advanced rotational integration scheme. The integrator gives quantitative agreement with both analytic and approximate hydrodynamic theories for a number of model rigid bodies and works well at reproducing the solute dynamical properties (diffusion constants and orientational relaxation times) obtained from explicitly solvated simulations.     

Matrix isolation infrared spectroscopic and density functional theoretical studies on the reactions of lanthanum atoms with acetylene

Laser-ablated lanthanum atoms have been codeposited at 4 K with acetylene in excess argon. Products, La(C 2H 2), LaCCH 2, HLaCCH, and La 2(C 2H 2), have been formed in the present experiments and characterized using infrared spectroscopy on the basis of the results of the isotopic shifts, mixed isotopic splitting patterns, stepwise annealing, the change of reagent concentration and laser energy, and the comparison with theoretical predictions. Density functional theory calculations have been performed on these molecules. The agreement between the experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts supports the identification of these molecules from the matrix infrared spectra. Plausible reaction mechanisms have been proposed to account for the formation of these molecules.     

Matrix isolation infrared spectroscopic and density functional theory studies on the reactions of yttrium and lanthanum hydrides with dinitrogen

Laser-ablated yttrium and lanthanum hydrides have been codeposited at 4 K with dinitrogen in excess argon. Products, HY(N2), HYNN, H2YNN, HLaNN, and H2LaNN, have been formed in the present experiments and characterized by using infrared spectroscopy on the basis of the results of the isotopic shifts, mixed isotopic splitting patterns, stepwise annealing, and comparison with theoretical predictions. Density functional theory calculations have been performed on these molecules. The agreement between the experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts supports the identification of these molecules from the matrix infrared spectra. Plausible reaction mechanisms have been proposed for the formation of these molecules.     

The accuracy of Kirchhoff's approximation in describing the far field speckles produced by random self-affine fractal surfaces

We describe an array of microscopic atom traps formed by a pattern of magnetisation on a piece of videotape. We describe the way in which cold atoms are loaded into one of these micro-traps and how the trapped atom cloud is used to explore the properties of the trap. Evaporative cooling in the micro-trap down to a temperature of K allows us to probe the smoothness of the trapping potential and reveals some inhomogeneity produced by the magnetic film. We discuss future prospects for atom chips based on microscopic permanent-magnet structures.     

On the number of queries necessary to identify a permutation

Let p and q be two permutations over {1, 2,…, n}. We denote by m(p, q) the number of integers i, 1 ≤ i ≤ n, such that p(i) = q(i). For each fixed permutation p, a query is a permutation q of the same size and the answer a(q) to this query is m(p, q). We investigate the problem of finding the minimum number of queries required to identify an unknown permutation p. A polynomial-time algorithm that identifies a permutation of size n by O(n · log₂n) queries is presented. The lower bound of this problem is also considered. It is proved that the problem of determining the size of the search space created by a given set of queries and answers is #P-complete. Since this counting problem is essential for the analysis of the lower bound, a complete analysis of the lower bound appears infeasible. We conjecture, based on some preliminary analysis, that the lower bound is Ω(n · log₂n).     

Lignans from the seeds of Chinese hawthorn (Crataegus pinnatifida var. major N.E.Br.) against β-amyloid aggregation

Phytochemical investigation on the seeds of hawthorn (Crataegus spp.) led to the isolation of a new compound, (7′R, 8′R, 8S)-isolariciresinol (1), along with six known compounds (2–7). The structures of all compounds were determined based on spectroscopic data interpretation. The Aβ_1–42 inhibition activity of all isolated compounds was evaluated in vitro. As a result, compounds 5 and 6 showed stronger inhibition of Aβ_1–42 aggregation than curcumin, with inhibition rates of 70.59 and 68.14% at 20 μM. The possible mechanism of interaction between Aβ_1–42 and the active compounds 5 and 6 was also investigated by molecular docking.     

Utilization of pulverized strontium slag as the admixture of Portland cement

Journal of Thermal Analysis and Calorimetry - Due to large output of Portland cement, the utilization of pulverized strontium slag (PSS) as a cement admixture is an available way for the effective...     

Colorimetric determination of BCR/ABL fusion genes using a nanocomposite consisting of Au@Pt nanoparticles covered with a PAMAM dendrimer and acting as a peroxidase mimic

A colorimetric assay is described for the detection of BCR/ABL fusion genes. Polyamidoamine (PAMAM) dendrimers were placed on peroxidase (POx) mimicking Au@Pt nanoparticles to form a nanocomposite of type Au@Pt-PAMAM. Capture DNA probe is a designed nucleic acid strand that specifically binds target DNA to the surface of the electrode. The capture probe was attached to magnetic beads via biotin and avidin interaction. The hairpin structure of the capture probe can only be opened by the complementary BCR/ABL DNA. This results in a highly specific assay. The POx-mimicking property of the Au@Pt-PAMAM causes the formation of a blue dye by reaction of H₂O₂ and 3,3,3′,3′-tetramethylbenzidine (TMB) which is measured by a microplate reader. Under optimum conditions, the absorbance increases linearly the 1 pM to 100 nM BCR/ABL concentration range, and the detection limit is as low as 190 fM. The method is highly selective and was successfully applied to the determination of fusion genes in spiked real samples. Conceivably, it possesses a large potential in clinical testing of patients suffering from chronic myeloid leukemia.

Open image in new window

Graphical abstract Au@PtNP, an efficient catalyst, is bound with polyamidoamine (PAMAM) dendrimer to amplify the colorimetric signal. With the introduction of streptavidin-magnetic beads to remove non-specific signals, a novel colorimetric sensor is constructed to detect BCR/ABL fusion genes.

     

Two pairs of new alkaloid enantiomers with a spiro [benzofuranone-benzazepine] skeleton from the bark of Juglans mandshurica

(±)-Juglanaloid A (1) and B (2), two pairs of novel naturally occurring alkaloid enantiomers bearing an unprecedented spiro [benzofuranone-benzazepine] skeleton, were isolated from the bark of Juglans mandshurica Maxim. The unusual 6, 5, 7, 6-cyclic system with a rare spiro cyclic center at C-4 was determined on the basis of spectroscopic data. Chiral separation of 1 and 2 yielded two pairs of enantiomers, 1a/1b and 2a/2b. The absolute configurations were established by comparing the experimental and calculated electronic circular dichroism spectra. The potential anti-AD properties of 1a/1b and 2a/2b were evaluated by the Thioflavin T assay.