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Electronic and Sturctural Transitions in Dense Liquid Sodium
At ambient conditions, the light alkali metals are free-electron like crystals with a highly symmetric structure. However, they were shown recently to exhibit unexpected complexity under pressure. It was predicted from theory and later confirmed by experiment that Li and Na undergo a sequence of symmetry breaking transitions driven by a Peierls mechanism. Most recently, measurements of the Na melting curve revealed an unprecedented and still unexplained drop in the melting temperature from 1000 K at 30 GPa to room temperature at 120 GPa. Here we report results from ab initio calculations that explain the unusual melting behavior in dense Na. We show that molten Na undergoes a series of pressure-induced structural and electronic transitions analogous to that observed in solid Na, but commencing at much lower pressure in the presence of disorder. With increasing pressure, liquid Na initially evolves by assuming a more compact local structure. However, a transition to a lower coordinated liquid takes place at a pressure around 65 GPa, accompanied by a threefold drop in electrical conductivity. A pseudogap opening at the Fermi level, an effect previously not observed in a liquid metal, drives this transition. Remarkably, the lower coordinated liquid emerges at rather elevated temperatures and above the stability region of a closed packed free electron-like metal. We predict that similar exotic behavior is possible in other materials as well
Discovering electron transfer driven changes in chemical bonding in lead chalcogenides (PbX, where X = Te, Se, S, O)
Understanding the nature of chemical bonding in solids is crucial to
comprehend the physical and chemical properties of a given compound. To explore
changes in chemical bonding in lead chalcogenides (PbX, where X = Te, Se, S,
O), a combination of property-, bond breaking- and quantum-mechanical bonding
descriptors have been applied. The outcome of our explorations reveals an
electron transfer driven transition from metavalent bonding in PbX (X = Te, Se,
S) to iono-covalent bonding in beta-PbO. Metavalent bonding is characterized by
adjacent atoms being held together by sharing about a single electron and small
electron transfer (ET). The transition from metavalent to iono-covalent bonding
manifests itself in clear changes in these quantum-mechanical descriptors (ES
and ET), as well as in property-based descriptors (i.e. Born effective charge,
dielectric function, effective coordination number (ECON) and mode-specific
Grueneisen parameter, and in bond breaking descriptors (PME). Metavalent
bonding collapses, if significant charge localization occurs at the ion cores
(ET) and/or in the interatomic region (ES). Predominantly changing the degree
of electron transfer opens possibilities to tailor materials properties such as
the chemical bond and electronic polarizability, optical band gap and optical
interband transitions characterized by the imaginary part of the dielectric
function. Hence, the insights gained from this study highlight the
technological relevance of the concept of metavalent bonding and its potential
for materials design
Strong-correlation effects in Born effective charges
Large values of Born effective charges are generally considered as reliable
indicators of the genuine tendency of an insulator towards ferroelectric
instability. However, these quantities can be very much influenced by strong
electron correlation and metallic behavior, which are not exclusive properties
of ferroelectric materials. In this paper we compare the Born effective charges
of some prototypical ferroelectrics with those of magnetic, non-ferroelectric
compounds using a novel, self-interaction free methodology that improves on the
local-density approximation description of the electronic properties. We show
that the inclusion of strong-correlation effects systermatically reduces the
size of the Born effective charges and the electron localization lengths.
Furthermore we give an interpretation of the Born effective charges in terms of
band energy structure and orbital occupations which can be used as a guideline
to rationalize their values in the general case.Comment: 10 pages, 4 postscript figure
Transparent dense sodium
Under pressure, metals exhibit increasingly shorter interatomic distances.
Intuitively, this response is expected to be accompanied by an increase in the
widths of the valence and conduction bands and hence a more pronounced
free-electron-like behaviour. But at the densities that can now be achieved
experimentally, compression can be so substantial that core electrons overlap.
This effect dramatically alters electronic properties from those typically
associated with simple free-electron metals such as lithium and sodium, leading
in turn to structurally complex phases and superconductivity with a high
critical temperature. But the most intriguing prediction - that the seemingly
simple metals Li and Na will transform under pressure into insulating states,
owing to pairing of alkali atoms - has yet to be experimentally confirmed. Here
we report experimental observations of a pressure-induced transformation of Na
into an optically transparent phase at 200 GPa (corresponding to 5.0-fold
compression). Experimental and computational data identify the new phase as a
wide bandgap dielectric with a six-coordinated, highly distorted
double-hexagonal close-packed structure. We attribute the emergence of this
dense insulating state not to atom pairing, but to p-d hybridizations of
valence electrons and their repulsion by core electrons into the lattice
interstices. We expect that such insulating states may also form in other
elements and compounds when compression is sufficiently strong that atomic
cores start to overlap strongly.Comment: Published in Nature 458, 182-185 (2009
Car make and model recognition under limited lighting conditions at night
Car make and model recognition (CMMR) has become an important part of intelligent transport systems. Information provided by CMMR can be utilized when license plate numbers cannot be identified or fake number plates are used. CMMR can also be used when a certain model of a vehicle is required to be automatically identified by cameras. The majority of existing CMMR methods are designed to be used only in daytime when most of the car features can be easily seen. Few methods have been developed to cope with limited lighting conditions at night where many vehicle features cannot be detected. The aim of this work was to identify car make and model at night by using available rear view features. This paper presents a one-class classifier ensemble designed to identify a particular car model of interest from other models. The combination of salient geographical and shape features of taillights and license plates from the rear view is extracted and used in the recognition process. The majority vote from support vector machine, decision tree, and k-nearest neighbors is applied to verify a target model in the classification process. The experiments on 421 car makes and models captured under limited lighting conditions at night show the classification accuracy rate at about 93 %
Nordic mcl2-3 trials: mirna-18b overexpression identifies a mantle cell lymphoma subgroup with poor survival and improves mipi-b prediction of prognosis
Prognostic impact of proliferative index determined by quantitative image analysis and the International Prognostic Index in patients with mantle cell lymphoma
Background: The proliferative index (PI) is a powerful prognostic factor in mantle cell lymphoma (MCL); however, its utility is hampered by interobserver variability. The mantle cell international prognostic index (MIPI) has been reported to have prognostic importance. In this study, we determined the prognostic value of the PI as determined by quantitative image analysis in MCL
The Effect of Treating Bacterial Vaginosis on Preterm Labor
Objective: Multiple studies suggest that bacterial vaginosis (BV) causes preterm labor; yet its routine treatment remains controversial. In order to help to elucidate this controversy, we performed a thorough review of studies with levels of evidence ranging from I to II–II. Methods: We searched for all of the studies from the years 1994 to 2001 via Medline’s database, including MD Consult and Ovid Mednet. Results: Several trials discovered a decrease in the incidence of preterm labor when BV was treated, but most of those trials were performed on women with a history of preterm labor. However, the majority of trials reviewed advise against treatment of a general low-risk obstetric population, as there was no significant decrease in preterm labor. Conclusions: Therefore, based on the above studies and the current guidelines of the Centers for Disease Control and Prevention (CDC), treating pregnant women in high-risk populations who are diagnosed with BV provides the clinician with an opportunity to possibly prevent preterm labor in this population. In nulliparous women without a history of preterm birth, treatment is recommended if other risk factors are present (e.g. gonorrhea or chlamydia). However, in the general low-risk populations, routine screening is not indicated
Soccer Attenuates the Asymmetry of Rectus Abdominis Muscle Observed in Non-Athletes
Purpose: To determine the volume and degree of asymmetry of the rectus abdominis muscle (RA) in professional soccer players. Methods: The volume of the RA was determined using magnetic resonance imaging (MRI) in 15 professional male soccer players and 6 non-active male control subjects. Results: Soccer players had 26% greater RA volume than controls (P<0.05), due to hypertrophy of both the dominant (28% greater volume, P<0.05) and non-dominant (25% greater volume, P<0.01) sides, after adjusting for age, length of the RA muscle and body mass index (BMI) as covariates. Total volume of the dominant side was similar to the contralateral in soccer players (P = 0.42) and in controls (P = 0.75) (Dominant/non-dominant = 0.99, in both groups). Segmental analysis showed a progressive increase in the degree of side-to-side asymmetry from the first lumbar disc to the pubic symphysis in soccer players (r = 0.80, P<0.05) and in controls (r = 0.75, P<0.05). The slope of the relationship was lower in soccer players, although this trend was not statistically significant (P = 0.14). Conclusions: Professional soccer is associated with marked hypertrophy of the rectus abdominis muscle, which achieves a volume that is 26% greater than in non-active controls. Soccer induces the hypertrophy of the non-dominant side in proximal regions and the dominant side in regions closer to pubic symphysis, which attenuates the pattern of asymmetry of rectus abdominis observed in non-active population. It remains to be determined whether the hypertrophy of rectus abdominis in soccer players modifies the risk of injury
Explorative data analysis of MCL reveals gene expression networks implicated in survival and prognosis supported by explorative CGH analysis
<p>Abstract</p> <p>Background</p> <p>Mantle cell lymphoma (MCL) is an incurable B cell lymphoma and accounts for 6% of all non-Hodgkin's lymphomas. On the genetic level, MCL is characterized by the hallmark translocation t(11;14) that is present in most cases with few exceptions. Both gene expression and comparative genomic hybridization (CGH) data vary considerably between patients with implications for their prognosis.</p> <p>Methods</p> <p>We compare patients over and below the median of survival. Exploratory principal component analysis of gene expression data showed that the second principal component correlates well with patient survival. Explorative analysis of CGH data shows the same correlation.</p> <p>Results</p> <p>On chromosome 7 and 9 specific genes and bands are delineated which improve prognosis prediction independent of the previously described proliferation signature. We identify a compact survival predictor of seven genes for MCL patients. After extensive re-annotation using GEPAT, we established protein networks correlating with prognosis. Well known genes (CDC2, CCND1) and further proliferation markers (WEE1, CDC25, aurora kinases, BUB1, PCNA, E2F1) form a tight interaction network, but also non-proliferative genes (SOCS1, TUBA1B CEBPB) are shown to be associated with prognosis. Furthermore we show that aggressive MCL implicates a gene network shift to higher expressed genes in late cell cycle states and refine the set of non-proliferative genes implicated with bad prognosis in MCL.</p> <p>Conclusion</p> <p>The results from explorative data analysis of gene expression and CGH data are complementary to each other. Including further tests such as Wilcoxon rank test we point both to proliferative and non-proliferative gene networks implicated in inferior prognosis of MCL and identify suitable markers both in gene expression and CGH data.</p
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