Search results for "CCS"

MicroRNAs as Novel Targets in Liver Cancer: Facing the Clinical Challenge

2014

Hepatocellular carcinoma (HCC) is a major cause of cancer-related deaths worldwide with a rising incidence in the western world. HCCs are characterized by a phenotypic and molecular heterogeneity that limits therapeutic progress. MicroRNAs play a major role for the pathogenesis and progression of liver cancer. As an essential part of the RNA interference machinery, microRNAs contribute to the regulation of many pro-oncogenic processes in HCC, including proliferation, migration, and survival. Therefore, these epigenetically active small molecules advanced to attractive targets for both diagnosis and therapy of liver cancer. Here, we will try to delineate the role of microRNAs during liver de…

The Relevance of Mineral Mobilization and -Dissolution on the Reservoir Quality of Sandstones in CO2 Storage Sites

2014

Abstract Rotliegend siliciclastic formations are important reservoirs in central Europe. These sediments consist of pristine red coloured and bleached, high porous and permeable sandstones. To evaluate the relevance of distinct fluids and their fluid-rock alteration reactions on such bleaching processes laboratory static batch experiments under reservoir conditions were conducted. Thereby mineralogical, petrophysical and (hydro-, geo-) chemical rock features were investigated by different analytical methods before and after the experiments. The achieved results suggest that during such fluid-rock interactions a complex interplay between mineral detachment and mineral dissolution processes w…

The CCSD(T) model with Cholesky decomposition of orbital energy denominators

2010

A new implementation of the coupled cluster singles and doubles with approximate triples correction method [CCSD(T)] using Cholesky decomposition of the orbital energy denominators is described. The new algorithm reduces the scaling of CCSD(T) from N-7 to N-6, where N is the number of orbitals. The Cholesky decomposition is carried out using simple analytical expressions that allow us to evaluate a priori the order in which the decomposition should be carried out and to obtain the relevant parts of the vectors whenever needed in the calculation. Several benchmarks have been carried out comparing the performance of the conventional and Cholesky CCSD(T) implementations. The Cholesky implement…

Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks

2018

Different force fields for the graphene–CH4 system are proposed including pseudo-atom and full atomistic models. Furthermore, different charge schemes are tested to evaluate the electrostatic interaction for the CH4 dimer. The interaction parameters are optimized by fitting to interaction energies at the DFT level, which were themselves benchmarked against CCSD(T) calculations. The potentials obtained with both the pseudo-atom and full atomistic approaches describe accurately enough the average interaction in the methane dimer as well as in the graphene–methane system. Moreover, the atom–atom potentials also correctly provide the energies associated with different orientations of the molecu…

Scientific communication in museums through presential mediation : Case study le Pavillon des Sciences

2014

In science museums and science centers, "presential" mediation positioning a mediator and the public in the co-presence of objects within a dedicated environment, remains relatively unknown. From a Communication Science perspective, analyzing actual situations transcends the simple provision of information, and focuses on the significance of third party forms within the construction of meaning. Presential communication is transient and centered on the words and gestures of an embodied third party. It provides a greater potential for interactions around practical situations, unlike other media (i.e. an exhibition). The purpose of this research is to question the rightful place of these speci…

Key Enzymes in Pyrimidine Synthesis, CAD and CPS1, Predict Prognosis in Hepatocellular Carcinoma

2021

Simple Summary Individual patients with liver cancer have a highly variable clinical course. Hence, there is an urgent need to identify new prognostic markers to determine prognosis and select specific therapies. Expression of two key enzymes in pyrimidine synthesis was analyzed in a large, well-characterized cohort of patients with liver cancer. Dysregulated expression of these enzymes was associated with shorter survival of the patients. A combined score of both markers was found to be a statistically independent prognostic marker. Abstract Patients with hepatocellular carcinoma (HCC) have a highly variable clinical course. Therefore, there is an urgent need to identify new prognostic mar…

Cyclooxygenases in hepatocellular carcinoma

2006

Many epidemiological studies demonstrate that treatment with non-steroidal anti-inflammatory drugs (NSAIDs) reduce the incidence and mortality of certain malignancies, especially gastrointestinal cancer. The cyclooxygenase (COX) enzymes are well-known targets of NSAIDs. However, conventional NSAIDs non-selectively inhibit both the constitutive form COX-1, and the inducible form COX-2. Recent evidence indicates that COX-2 is an important molecular target for anticancer therapies. Its expression is undetectable in most normal tissues, and is highly induced by pro-inflammatory cytokines, mitogens, tumor promoters and growth factors. It is now well-established that COX-2 is chronically overexpr…

Prediction of water's isotropic nuclear shieldings and indirect nuclear spin–spin coupling constants (SSCCs) using correlation‐consistent and polariz…

2009

Density functional theory (DFT) was used to estimate water's isotropic nuclear shieldings and indirect nuclear spin-spin coupling constants (SSCCs) in the Kohn-Sham (KS) complete basis set (CBS) limit. Correlation-consistent cc-pVxZ and cc-pCVxZ (x = D, T, Q, 5, and 6), and their modified versions (ccJ-pVxZ, unc-ccJ-pVxZ, and aug-cc-pVTZ-J) and polarization-consistent pc-n and pcJ-n (n = 0, 1, 2, 3, and 4) basis sets were used, and the results fitted with a simple mathematical formula. The performance of over 20 studied density functionals was assessed from comparison with the experiment. The agreement between the CBS DFT-predicted isotropic shieldings, spin-spin values, and the experimenta…

Marí Mollà, R. (2017). Facilitar las relaciones grupales y resolver los conflictos. Madrid: Editorial CCS.

2019

Three-dimensional cardiac computational modelling: methods, features and applications

2015

[EN] The combination of computational models and biophysical simulations can help to interpret an array of experimental data and contribute to the understanding, diagnosis and treatment of complex diseases such as cardiac arrhythmias. For this reason, three-dimensional (3D) cardiac computational modelling is currently a rising field of research. The advance of medical imaging technology over the last decades has allowed the evolution from generic to patient-specific 3D cardiac models that faithfully represent the anatomy and different cardiac features of a given alive subject. Here we analyse sixty representative 3D cardiac computational models developed and published during the last fifty …