A density functional theory study on CO2 capture and activation by graphene-like boron nitride with boron vacancy

First principle calculations for a hexagonal (graphene-like) boron nitride (g-BN) monolayer sheet in the presence of a boron-atom vacancy show promising properties for capture and activation of carbon dioxide. CO2 is found to decompose to produce an oxygen molecule via an intermediate chemisorption state on the defect g-BN sheet. The three stationary states and two transition states in the reaction pathway are confirmed by minimum energy pathway search and frequency analysis. The values computed for the two energy barriers involved in this catalytic reaction after enthalpy correction indicate that the catalytic reaction should proceed readily at room temperature.

A density functional theory study of CO2 and N2 adsorption on aluminium nitride single walled nanotubes

Strong binding of isolated carbon dioxide (CO2) on aluminium nitride (AlN) single walled nanotubes is verified using two different functionals. Two optimized configurations corresponding to physisorption and chemisorption are linked by a low energy barrier, such that the chemisorbed state is accessible and thermodynamically favored at low temperatures. In contrast, N2 is found only to form a physisorbed complex with the AlN nanotube, suggesting the potential application of aluminium nitride based materials for CO2 fixation. The effect of nanotube diameter on gas adsorption properties is also discussed. The diameter is found to have an important effect on the chemisorption of CO2, but has little effect on the physisorption of either CO2 or N2.

Adsorption of carbon dioxide and nitrogen on single-layer aluminum nitride nanostructures studied by density functional theory

The adsorption of carbon dioxide and nitrogen molecules on aluminum nitride (AlN) nanostructures has been explored using first-principle computational methods. Optimized configurations corresponding to physisorption and, subsequentially, chemisorption of CO2 are identified, in contrast to N2, for which only a physisorption structure is found. Transition-state searches imply a low energy barrier between the physisorption and chemisorption states for CO2 such that the latter is accessible and thermodynamically favored at room temperature. The effective binding energy of the optimized chemisorption structure is apparently larger than those for other CO2 adsorptive materials, suggesting the potential for application of aluminum nitride nanostructures for carbon dioxide capture and storage.

The effect of Fe doping on adsorption of CO2/N2within carbon nanotubes : a density functional theory study with dispersion corrections

An ab initio density functional theory (DFT) study with correction for dispersive interactions was performed to study the adsorption of N2 and CO2 inside an (8, 8) single-walled carbon nanotube. We find that the approach of combining DFT and van der Waals correction is very effective for describing the long-range interaction between N2/CO2 and the carbon nanotube (CNT). Surprisingly, exohedral doping of an Fe atom onto the CNT surface will only affect the adsorption energy of the quadrupolar CO2 molecule inside the CNT (20–30%), and not that of molecular N2. Our results suggest the feasibility of enhancement of CO2/N2 separation in CNT-based membranes by using exohedral doping of metal atoms.

Pteridine-, thymidine-, choline- and imidazole-derived alkaloids from the Australian ascidian, Leptoclinides durus

Four new acylated pteridine alkaloids, duramidines A-D, two new acylated thymidine alkaloids, leptoclinidines A and B, two new 1-acylglyceryl-3-(O- carboxyhydroxymethylcholine) alkaloids, durabetaines A and B, three new 1,3-dimethyl-5-methylsulfanylimidazole alkaloids, leptoclinidamines D-F, and the known alkaloids leptoclinidamines B and C and 6-bromo-1H-indolo-3-yl-oxoacetic acid methyl ester were isolated from the Australian ascidian Leptoclinides durus. The duramidines are the first pteridine alkaloids, possessing a three carbon side chain esterified at C-1′ with a 4-hydroxy-2′- methoxycinnamic acid, and are either hydroxylated or sulfated at C-2′. The leptoclinidines are the first 3′-indole-3-carboxylic acid ester derivatives of thymidine to be reported in the literature. The durabetaines are the first glyceryl-3-(O-carboxyhydroxymethylcholine) alkaloids to be reported from an animal source and are also the only known derivatives from this class to be acylated with aromatic carboxylic acids. MS and NMR data analysis established the structures of the new compounds. All compounds were shown to be inactive when tested for cytotoxic activity against prostate (LNCaP) and breast (MDA-MB-231) cancer cell lines and antimicrobial activity against Pseudomonas aeruginosa and Staphylococcus aureus.

Fine-mapping of the HNF1B multicancer locus identifies candidate variants that mediate endometrial cancer risk

Common variants in the hepatocyte nuclear factor 1 homeobox B (HNF1B) gene are associated with the risk of Type II diabetes and multiple cancers. Evidence to date indicates that cancer risk may be mediated via genetic or epigenetic effects on HNF1B gene expression. We previously found single-nucleotide polymorphisms (SNPs) at the HNF1B locus to be associated with endometrial cancer, and now report extensive fine-mapping and in silico and laboratory analyses of this locus. Analysis of 1184 genotyped and imputed SNPs in 6608 Caucasian cases and 37 925 controls, and 895 Asian cases and 1968 controls, revealed the best signal of association for SNP rs11263763 (P = 8.4 × 10−14, odds ratio = 0.86, 95% confidence interval = 0.82–0.89), located within HNF1B intron 1. Haplotype analysis and conditional analyses provide no evidence of further independent endometrial cancer risk variants at this locus. SNP rs11263763 genotype was associated with HNF1B mRNA expression but not with HNF1B methylation in endometrial tumor samples from The Cancer Genome Atlas. Genetic analyses prioritized rs11263763 and four other SNPs in high-to-moderate linkage disequilibrium as the most likely causal SNPs. Three of these SNPs map to the extended HNF1B promoter based on chromatin marks extending from the minimal promoter region. Reporter assays demonstrated that this extended region reduces activity in combination with the minimal HNF1B promoter, and that the minor alleles of rs11263763 or rs8064454 are associated with decreased HNF1B promoter activity. Our findings provide evidence for a single signal associated with endometrial cancer risk at the HNF1B locus, and that risk is likely mediated via altered HNF1B gene expression.

The role of inflammation in cutaneous repair

Inflammation is a fundamental component of the normal adult wound healing response occurring even in the absence of infection. It performs many beneficial roles such as the clearing of damaged cells and extracellular matrix (ECM), the removal of pathogens that might other wise multiply and spread, and the secretion of mediators that regulate other aspects of wound healing such as proliferation, re-epithelialisation and wound remodelling. Yet, excess and/or prolonged inflammation is detrimental to wound healing and leads to increased fibrosis and scarring, which can be disfiguring and, in cases such as contractures, can lead to disability. Furthermore, excessive inflammation is a major contributing factor to the persistence of chronic non-healing wounds, which are “stuck” in the inflammatory phase of healing and fail to reepithelialise. Current research suggest that the type of immune cells, their timing and the level of inflammation in a wound could have dramatic effect on whether a wound heals in a timely fashion and the final quality of the repaired tissue. Studies suggest that altering the level of inflammation might be beneficial in terms of reducing scarring and improving the rate of healing in chronic wounds. This review looks at the role of the major immune cells in normal and impaired wound healing and strategies that might be used to reduce inflammation in wounds.

"Philly Joe" Jonesin Jazz-rumpukomppaus : Improvisoitu säestys ja vuorovaikutus kappaleessa 'Blues for Philly Joe'

Tutkielma käsittelee jazz-rumpali Joseph Rudolph Philly Joe Jonesin (1923 1985) improvisoitua säestystä, komppausta, ja soittajien välisen vuorovaikutuksen osuutta jazz-esityksen muotoutumisessa. Jazz-rumpalin soitolle on tyypillistä, että kaikki toiminta on improvisoitua, kappaleen ja lajin viitekehyksen sekä häneen kohdistuvien odotusten raameissa tapahtuvaa luomisprosessia. Jazz-analyysi on painottunut kontekstista irrotetun improvisoinnin tutkimiseen, mutta tässä työssä painopiste on ryhmädynamiikassa. Analyysikohde on Sonny Rollinsin säveltämä 12-tahtinen blues Blues for Philly Joe (1957) Rollinsin levyltä Newk s Time (Blue Note 7243 5 76752 2 2). Rumpukomppausta tarkastellaan kolmesta näkökulmasta. Aluksi rumpuosuudesta pelkistetään erityisen karsimismenetelmän avulla komppauksen rytminen hahmo, rytmilinja. Rytmilinja-analyysin avulla vastataan tutkimuskysymykseen minkälaisilla rytmeillä Jones komppaa, ja miten sen rytmi suhteutuu pulssiin, metriin ja muotoon nähden. Seuraavaksi motiivianalyysista kehitetyllä aiheiden erittely- ja variaatiomenetelmällä määritellään Jonesin komppausfraasien piirteet, rakenteet ja variaatiot. Lopuksi Jonesin ja solistin välistä vuorovaikutusta tutkitaan kartoittamalla aihelainaukset, sekä rytmisektion sisäistä koordinointia rytmilinjojen avulla. Rytmilinja paljastaa Jonesin korostavan usein tiettyjä tahdinosia tietyissä rakennepaikoissa eri kertauksissa. Komppaus tuo rakenteelliset taitepaikat esiin, ja samalla sen polyrytmit horjuttavat vallitsevaa 4/4-metriä. Fraasianalyysi paljastaa Jonesin komppiaiheiden käytön olevan johdonmukaista, ja joillakin fraaseilla on oma täsmällinen funktionsa. Pitkätkin komppifraasit perustuvat vain muutamaan hahmoon, joista tärkeimmät ovat kolmijakoiset polymetrit ja synkoopit. Vuorovaikutus solistin kanssa ilmenee kahdensuuntaisina aihelainauksina tai vaihtoehtoisesti kontrasteina. Rytmisektion sisäisen vuorovaikutuksen muodoista merkittäviin on yhteisten toistuvien rytmiaiheiden, riffien, koordinoitu käyttö. Rytmisektion jäsenet myös hakeutuvat tietoisesti toisen soittajan rytmilinjan sisään päätyäkseen samoille tahdinosille. Työssä konkretisoituu säestämisen ja vuorovaikutuksen merkitys jazz-improvisoinnin synnyttäjänä. Tutkimuskohde ei olisi voinut tulla lopulliseen muotoonsa ilman soittajien vuorovaikutusta. Tämän työn myötä nousee tarve tutkia rytmisektion toimintaa ja vuorovaikutuksen evoluutiota eri tyylikausina.

Shared genetics underlying epidemiological association between endometriosis and ovarian cancer

Epidemiological studies have demonstrated associations between endometriosis and certain histotypes of ovarian cancer, including clear cell, low-grade serous and endometrioid carcinomas. We aimed to determine whether the observed associations might be due to shared genetic aetiology. To address this, we used two endometriosis datasets genotyped on common arrays with full-genome coverage (3194 cases and 7060 controls) and a large ovarian cancer dataset genotyped on the customized Illumina Infinium iSelect (iCOGS) arrays (10 065 cases and 21 663 controls). Previous work has suggested that a large number of genetic variants contribute to endometriosis and ovarian cancer (all histotypes combined) susceptibility. Here, using the iCOGS data, we confirmed polygenic architecture for most histotypes of ovarian cancer. This led us to evaluate if the polygenic effects are shared across diseases. We found evidence for shared genetic risks between endometriosis and all histotypes of ovarian cancer, except for the intestinal mucinous type. Clear cell carcinoma showed the strongest genetic correlation with endometriosis (0.51, 95% CI = 0.18–0.84). Endometrioid and low-grade serous carcinomas had similar correlation coefficients (0.48, 95% CI = 0.07–0.89 and 0.40, 95% CI = 0.05–0.75, respectively). High-grade serous carcinoma, which often arises from the fallopian tubes, showed a weaker genetic correlation with endometriosis (0.25, 95% CI = 0.11–0.39), despite the absence of a known epidemiological association. These results suggest that the epidemiological association between endometriosis and ovarian adenocarcinoma may be attributable to shared genetic susceptibility loci.

Rudolf and Antoinette von Kahler in living room; Vienna-Doebling Architecture; Residences

Digital Image

Mathias family preparing to board the ship "Deutschland" to emigrate from Germany to New York Portraits; Family

On January 6, 1938 our family left Nazi Germany and boarded a ship "Deutschland" for New York. This ended our family's life in Germany forever. Rudolph ES Mathias.

Intergenerational Perceptions and Conflicts in Multi-Age and Multigenerational Work Environments

One underappreciated consequence of the aging population phenomenon is that we are now experiencing what is arguably the most age-diverse workforce in modern history (Hanks & Icenogle, 2001; Newton, 2006; Toossi, 2004). As our workforce continues to age, shifts in the age demographic composition (i.e., the age diversity) of organizations and their subunits will become more apparent (Roth, Wegge, & Schmidt, 2007). Several factors have influenced and will continue to drive this trend. For example, in Western countries, younger people entering the workforce are more educated than ever before (Hussar & Bailey, 2013; Ryan & Siebens, 2012; Stoops, 2003) and could feasibly rise to positions of power in organizations more quickly than others have in the past (e.g., promotion rates vary as a function of age) (Rosenbaum, 1979; see also Clemens, 2012 conceptualization of the "fast track effect"). Furthermore, older workers are increasingly delaying retirement beyond the normative retirement age (Baltes & Rudolph, 2012; Burtless, 2012; Flynn, 2010), and already retired individuals are seeking re-employment in bridge employment roles in higher numbers than before (e.g., Adams & Rau, 2004; Kim & Feldman, 2000; Weckerle & Shultz, 1999).

MACHAL [Mitnadvei Hutz LaAretz] and Aliyah Bet Records, undated, 1930-2011

The MACHAL, the acronym for “Mitnadvei Hutz LaAretz” ("Volunteers from Abroad"), consisted of about 3500 men and women from over 40 countries from a variety of social and religious backgrounds who volunteered to fight for the establishment of Israel. This collection is unique in that it deals specifically with the experience of MACHAL and Aliyah Bet volunteers from Canada and the United States and others living in the United States. The collections consists of files on 500 volunteers, over 2000 original and reproduction photographs, numerous audio-visual material, books, manuscripts, and memoirs.

Expected Performance of the ATLAS Experiment - Detector, Trigger and Physics

A detailed study is presented of the expected performance of the ATLAS detector. The reconstruction of tracks, leptons, photons, missing energy and jets is investigated, together with the performance of b-tagging and the trigger. The physics potential for a variety of interesting physics processes, within the Standard Model and beyond, is examined. The study comprises a series of notes based on simulations of the detector and physics processes, with particular emphasis given to the data expected from the first years of operation of the LHC at CERN.