411 research outputs found
First-principles study of ternary fcc solution phases from special quasirandom structures
In the present work, ternary Special Quasirandom Structures (SQSs) for a fcc
solid solution phase are generated at different compositions,
and , ,
whose correlation functions are satisfactorily close to those of a random fcc
solution. The generated SQSs are used to calculate the mixing enthalpy of the
fcc phase in the Ca-Sr-Yb system. It is observed that first-principles
calculations of all the binary and ternary SQSs in the Ca-Sr-Yb system exhibit
very small local relaxation. It is concluded that the fcc ternary SQSs can
provide valuable information about the mixing behavior of the fcc ternary solid
solution phase. The SQSs presented in this work can be widely used to study the
behavior of ternary fcc solid solutions.Comment: 20 pages, 7 figure
Thermodynamic properties of binary HCP solution phases from special quasirandom structures
Three different special quasirandom structures (SQS) of the substitutional
hcp binary random solutions (, 0.5, and 0.75) are
presented. These structures are able to mimic the most important pair and
multi-site correlation functions corresponding to perfectly random hcp
solutions at those compositions. Due to the relatively small size of the
generated structures, they can be used to calculate the properties of random
hcp alloys via first-principles methods. The structures are relaxed in order to
find their lowest energy configurations at each composition. In some cases, it
was found that full relaxation resulted in complete loss of their parental
symmetry as hcp so geometry optimizations in which no local relaxations are
allowed were also performed. In general, the first-principles results for the
seven binary systems (Cd-Mg, Mg-Zr, Al-Mg, Mo-Ru, Hf-Ti, Hf-Zr, and Ti-Zr) show
good agreement with both formation enthalpy and lattice parameters measurements
from experiments. It is concluded that the SQS's presented in this work can be
widely used to study the behavior of random hcp solutions.Comment: 15 pages, 8 figure
Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab initio
Pungency of Spring Onion as Affected by Inoculation with Arbuscular Mycorrhizal Fungi and Sulfur Supply
Ceruloplasmin Protects Against Rotenone-Induced Oxidative Stress and Neurotoxicity
To clarify the neuroprotective property of ceruloplasmin and the pathogenesis of aceruloplasminemia, we generated ceruloplasmin-deficient (CP−/−) mice on the C57BL/10 genetic background and further treated them with a mitochondrial complex I inhibitor, rotenone. There was no iron accumulation in the brains of CP−/− mice at least up to 60 weeks of age. Without rotenone treatment, CP−/− mice showed slight motor dysfunction compared with CP+/+ mice, but there were no detectable differences in the levels of oxidative stress markers between these two groups. A low dose of rotenone did not affect the mitochondrial complex I activity in our mice, however, it caused a significant change in motor behavior, neuropathology, or the levels of oxidative stress markers in CP−/− mice, but not in CP+/+ mice. Our data support that ceruloplasmin protects against rotenone-induced oxidative stress and neurotoxicity, probably through its antioxidant properties independently of its function of iron metabolism
Parkinson’s disease mouse models in translational research
Animal models with high predictive power are a prerequisite for translational research. The closer the similarity of a model to Parkinson’s disease (PD), the higher is the predictive value for clinical trials. An ideal PD model should present behavioral signs and pathology that resemble the human disease. The increasing understanding of PD stratification and etiology, however, complicates the choice of adequate animal models for preclinical studies. An ultimate mouse model, relevant to address all PD-related questions, is yet to be developed. However, many of the existing models are useful in answering specific questions. An appropriate model should be chosen after considering both the context of the research and the model properties. This review addresses the validity, strengths, and limitations of current PD mouse models for translational research
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