30 research outputs found
A test of non-equilibrium thermodynamics in glassy systems: the soft-sphere case
The scaling properties of the soft-sphere potential allow the derivation of
an exact expression for the pressure of a frozen liquid, i.e., the pressure
corresponding to configurations which are local minima in its multidimensional
potential energy landscape. The existence of such a relation offers the unique
possibility for testing the recently proposed extension of the liquid free
energy to glassy out-of-equilibrium conditions and the associated expression
for the temperature of the configurational degrees of freedom. We demonstrate
that the non-equilibrium free energy provides an exact description of the
soft-sphere pressure in glass states
Photoactivatable prodrugs of butyric acid based on new coumarin fused oxazole heterocycles
New coumarin fused oxazoles were investigated as photosensitive units for carboxylic acid groups using butyric acid as a model compound. 6-Oxo-6H-benzopyrano[6,7-d]oxazol-8-yl)methyl derivatives possessing various (hetero)aromatic substituents at position 2 of the heterocyclic system were used in the synthesis of ester conjugates of butyric acid. Photolysis at selected wavelengths in methanol/HEPES buffer (80:20) solutions, monitored by HPLC/UV and 1H NMR, produced the complete release of butyric acid. The shorter irradiation times for cleavage at longer wavelengths occurred for the conjugate with a 4-oxo-4H-benzopyran-2-yl substituent and thus (6-oxo-2-(4-oxo-4H-benzopyran-2-yl)-6H-benzopyrano[6,7-d]oxazol-8-yl)methyl has potential as a candidate photosensitive moiety for butyric acid prodrugs.Thanks are due to the Fundação para a Ciência e Tecnologia (FCT, Portugal) for financial support
to the NMR portuguese network (PTNMR, Bruker Avance III 400-Univ. Minho), FCT and FEDER
(European Fund for Regional Development)-COMPETE-QREN-EU for financial support to the
research centre CQ/UM [PEst-C/QUI/UI0686/2013 (FCOMP-01-0124-FEDER-022716)] and a
PhD grant to A.M.S.S. (SFRH/BD/80813/2011) is also acknowledged
Factors Associated with Revision Surgery after Internal Fixation of Hip Fractures
Background: Femoral neck fractures are associated with high rates of revision surgery after management with internal fixation. Using data from the Fixation using Alternative Implants for the Treatment of Hip fractures (FAITH) trial evaluating methods of internal fixation in patients with femoral neck fractures, we investigated associations between baseline and surgical factors and the need for revision surgery to promote healing, relieve pain, treat infection or improve function over 24 months postsurgery. Additionally, we investigated factors associated with (1) hardware removal and (2) implant exchange from cancellous screws (CS) or sliding hip screw (SHS) to total hip arthroplasty, hemiarthroplasty, or another internal fixation device. Methods: We identified 15 potential factors a priori that may be associated with revision surgery, 7 with hardware removal, and 14 with implant exchange. We used multivariable Cox proportional hazards analyses in our investigation. Results: Factors associated with increased risk of revision surgery included: female sex, [hazard ratio (HR) 1.79, 95% confidence interval (CI) 1.25-2.50; P = 0.001], higher body mass index (fo
Two Local Search Methods for Protein Folding Simulation in the HP and the MJ Lattice Models
Happy re-birthday : weight loss surgery and the 'new me'
Weight loss surgery (WLS) is one element of the contemporary 'war on obesity'. Those who undergo surgery frequently refer to it in terms of their 're-birth'. This article considers what is signified by the discourse of re-birth, and asks what material and discursive work is required to support the identity of the post-surgical 'new me'. The article argues that rather than referring to the visibly transformed body, the discourse of re-birth signals the reconfiguration of the self as a disciplined subject who is able to exercise control and restraint over consumption. This enables those undergoing WLS to position themselves as participants in the 'war on obesity', rather than its denigrated objects. However, this identity claim is difficult to claim consistently and requires the acquisition of both familiar and novel disciplinary techniques oriented towards the normalization of the post-WLS body, and which are body enabling and constraining