One-way multigrid method in electronic structure calculations

We propose a simple and efficient one-way multigrid method for self-consistent electronic structure calculations based on iterative diagonalization. Total energy calculations are performed on several different levels of grids starting from the coarsest grid, with wave functions transferred to each finer level. The only changes compared to a single grid calculation are interpolation and orthonormalization steps outside the original total energy calculation and required only for transferring between grids. This feature results in a minimal amount of code change, and enables us to employ a sophisticated interpolation method and noninteger ratio of grid spacings. Calculations employing a preconditioned conjugate gradient method are presented for two examples, a quantum dot and a charged molecular system. Use of three grid levels with grid spacings 2h, 1.5h, and h decreases the computer time by about a factor of 5 compared to single level calculations.Comment: 10 pages, 2 figures, to appear in Phys. Rev. B, Rapid Communication

WMAP constraint on the P-term inflationary model

In light of WMAP results, we examine the observational constraint on the P-term inflation. With the tunable parameter $f$, P-term inflation contains richer physics than D-term and F-term inflationary models. We find the logarithmic derivative spectral index with $n>1$ on large scales and $n<1$ on small scales in agreement to observation. We obtained a reasonable range for the choice of the gauge coupling constant $g$ in order to meet the requirements of WMAP observation and the expected number of the e-foldings. Although tuning $f$ and $g$ we can have larger values for the logarithmic derivative of the spectral index, it is not possible to satisfy all observational requirements for both, the spectral index and its logarithmic derivative at the same time.Comment: 6 pages, double column, 13 figures included. Version appearing in the Physical Review

Denial of long-term issues with agriculture on tropical peatlands will have devastating consequences

Non peer reviewe

Female chromosome X mosaicism is age-related and preferentially affects the inactivated X chromosome

To investigate large structural clonal mosaicism of chromosome X, we analysed the SNP microarray intensity data of 38,303 women from cancer genome-wide association studies (20,878 cases and 17,425 controls) and detected 124 mosaic X events42Mb in 97 (0.25%) women. Here we show rates for X-chromosome mosaicism are four times higher than mean autosomal rates; X mosaic events more often include the entire chromosome and participants with X events more likely harbour autosomal mosaic events. X mosaicism frequency increases with age (0.11% in 50-year olds; 0.45% in 75-year olds), as reported for Y and autosomes. Methylation array analyses of 33 women with X mosaicism indicate events preferentially involve the inactive X chromosome. Our results provide further evidence that the sex chromosomes undergo mosaic events more frequently than autosomes, which could have implications for understanding the underlying mechanisms of mosaic events and their possible contribution to risk for chronic diseases

Detectable clonal mosaicism and its relationship to aging and cancer

In an analysis of 31,717 cancer cases and 26,136 cancer-free controls from 13 genome-wide association studies, we observed large chromosomal abnormalities in a subset of clones in DNA obtained from blood or buccal samples. We observed mosaic abnormalities, either aneuploidy or copy-neutral loss of heterozygosity, of >2 Mb in size in autosomes of 517 individuals (0.89%), with abnormal cell proportions of between 7% and 95%. In cancer-free individuals, frequency increased with age, from 0.23% under 50 years to 1.91% between 75 and 79 years (P = 4.8 × 10(-8)). Mosaic abnormalities were more frequent in individuals with solid tumors (0.97% versus 0.74% in cancer-free individuals; odds ratio (OR) = 1.25; P = 0.016), with stronger association with cases who had DNA collected before diagnosis or treatment (OR = 1.45; P = 0.0005). Detectable mosaicism was also more common in individuals for whom DNA was collected at least 1 year before diagnosis with leukemia compared to cancer-free individuals (OR = 35.4; P = 3.8 × 10(-11)). These findings underscore the time-dependent nature of somatic events in the etiology of cancer and potentially other late-onset diseases

Panax (ginseng) - Panacea or placebo? Molecular and cellular basis of its pharmacological activity

Annals of the Academy of Medicine Singapore29142-46AAMS

Incorporation of initiation, promotion and inhibition in the R ct concept and its application in determining the initiation and inhibition capacities of natural water in ozonation

10.1016/j.watres.2012.01.025Water Research4661990-1998WATR

Androgen receptor gene and male infertility

10.1093/humupd/dmg003Human Reproduction Update911-7HRUP

Mutations in the promoter region of the androgen receptor gene are not common in males with idiopathic infertility

Molecular Human Reproduction53287-290MHRE