1,098 research outputs found
P302: Securing the venous sampling: a priority for the safety and caregivers of patients in the ped
EXAFS Debye-Waller factors issued from Car-Parrinello molecular dynamics: Application to the fit of oxaliplatin and derivatives
One of the main pitfalls in EXAFS fitting is correlation among parameters, which can lead to unreli- able fits. The use of theoretical Debye-Waller factors (DWs) is a promising way to reduce the number of fitted parameters. When working with molecular dynamics, it is not only possible to evaluate DWs from the statistical distributions issued from the trajectory but also to estimate the distribution an- harmonicity, and to compute simulated average EXAFS spectra that can be fitted as experimental ones, in order to assess the ability of EXAFS fitting to recover information on DWs, as well as other structural and spectroscopical parameters. The case studied is oxaliplatin, a third generation anticancer drug. The structural information and the simulated average spectra were derived from a Car-Parrinello molecular dynamics (CP-MD) trajectory of a compound closely related to oxaliplatin. We present the DWs issued from this simulation and their use, by taking their theoretical absolute values (no DW fitted) or their ratios (one DW fitted). In this second approach, the fit of oxaliplatin experimental spectra leads to DWs values very close to the theoretical ones. This shows that the CP-MD trajectory provides a good representation of the distance distributions for oxaliplatin. Trans- ferability of oxaliplatin DWs, for all relevant single and multiple scattering paths, to closely related compounds is proven for the case of bis(oxalato)platinum(II) and bis(ethylene diamine)platinum(II).Ministerio de Ciencia e InnovaciĂłn CTQ2011-25932Junta de AndalucĂa P06-FQM-0148
BOSS-LDG: A Novel Computational Framework that Brings Together Blue Waters, Open Science Grid, Shifter and the LIGO Data Grid to Accelerate Gravitational Wave Discovery
We present a novel computational framework that connects Blue Waters, the
NSF-supported, leadership-class supercomputer operated by NCSA, to the Laser
Interferometer Gravitational-Wave Observatory (LIGO) Data Grid via Open Science
Grid technology. To enable this computational infrastructure, we configured,
for the first time, a LIGO Data Grid Tier-1 Center that can submit
heterogeneous LIGO workflows using Open Science Grid facilities. In order to
enable a seamless connection between the LIGO Data Grid and Blue Waters via
Open Science Grid, we utilize Shifter to containerize LIGO's workflow software.
This work represents the first time Open Science Grid, Shifter, and Blue Waters
are unified to tackle a scientific problem and, in particular, it is the first
time a framework of this nature is used in the context of large scale
gravitational wave data analysis. This new framework has been used in the last
several weeks of LIGO's second discovery campaign to run the most
computationally demanding gravitational wave search workflows on Blue Waters,
and accelerate discovery in the emergent field of gravitational wave
astrophysics. We discuss the implications of this novel framework for a wider
ecosystem of Higher Performance Computing users.Comment: 10 pages, 10 figures. Accepted as a Full Research Paper to the 13th
IEEE International Conference on eScienc
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Fluorescent humanized anti-CEA antibody specifically labels metastatic pancreatic cancer in a patient-derived orthotopic xenograft (PDOX) mouse model.
Pancreatic cancer is a highly lethal disease in part due to incomplete tumor resection. Targeting by tumor-specific antibodies conjugated with a fluorescent label can result in selective labeling of cancer in vivo for surgical navigation. In the present study, we describe a patient-derived orthotopic xenograft model of pancreatic cancer that recapitulated the disease on a gross and microscopic level, along with physiologic clinical manifestations. We additionally show that the use of an anti-CEA antibody conjugated to the near-infrared (NIR) fluorescent dye, IRDye800CW, can selectively highlight the pancreatic cancer and its metastases in this model with a tumor-to-background ratio of 3.5 (SEM 0.9). The present results demonstrate the clinical potential of this labeling technique for fluorescence-guided surgery of pancreatic cancer
Costs and cost-effectiveness of different follow-up schedules for detection of occupational hepatitis C virus infection
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The Mucin Family of Proteins: Candidates as Potential Biomarkers for Colon Cancer
Mucins (MUC1-MUC24) are a family of glycoproteins involved in cell signaling and barrier protection. They have been implicated in the progression of numerous malignancies including gastric, pancreatic, ovarian, breast, and lung cancer. Mucins have also been extensively studied with respect to colorectal cancer. They have been found to have diverse expression profiles amongst the normal colon, benign hyperplastic polyps, pre-malignant polyps, and colon cancers. Those expressed in the normal colon include MUC2, MUC3, MUC4, MUC11, MUC12, MUC13, MUC15 (at low levels), and MUC21. Whereas MUC5, MUC6, MUC16, and MUC20 are absent from the normal colon and are expressed in colorectal cancers. MUC1, MUC2, MUC4, MUC5AC, and MUC6 are currently the most widely covered in the literature regarding their role in the progression from normal colonic tissue to cancer
Yb-Yb correlations and crystal-field effects in the Kondo insulator YbB12 and its solid solutions
We have studied the effect of Lu substitution on the spin dynamics of the
Kondo insulator YbB12 to clarify the origin of the spin-gap response previously
observed at low temperature in this material. Inelastic neutron spectra have
been measured in Yb1-xLuxB12 compounds for four Lu concentrations x = 0, 0.25,
0.90 and 1.0. The data indicate that the disruption of coherence on the Yb
sublattice primarily affects the narrow peak structure occurring near 15-20 meV
in pure YbB12, whereas the spin gap and the broad magnetic signal around 38 meV
remain almost unaffected. It is inferred that the latter features reflect
mainly local, single-site processes, and may be reminiscent of the inelastic
magnetic response reported for mixed-valence intermetallic compounds. On the
other hand, the lower component at 15 meV is most likely due to dynamic
short-range magnetic correlations. The crystal-field splitting in YbB12
estimated from the Er3+ transitions measured in a Yb0.9Er0.1B12 sample, has the
same order of magnitude as other relevant energy scales of the system and is
thus likely to play a role in the form of the magnetic spectral response.Comment: 16 pages in pdf format, 9 figures. v. 2: coauthor list updated; extra
details given in section 3.2 (pp. 6-7); one reference added; fig. 5 axis
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Comparaison de la variabilité génétique de deux espèces de poissons, l'ombre commun et le gardon, dans un fleuve aménagé
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