129 research outputs found
Achievements, Challenges, and Prospects of Calcium Batteries
This Review flows from past attempts to develop a (rechargeable) battery technology based on Ca via crucial breakthroughs to arrive at a comprehensive discussion of the current challenges at hand. The realization of a rechargeable Ca battery technology primarily requires identification and development of suitable electrodes and electrolytes, which is why we here cover the progress starting from the fundamental electrode/electrolyte requirements, concepts, materials, and compositions employed and finally a critical analysis of the state-of-the-art, allowing us to conclude with the particular roadblocks still existing. As for crucial breakthroughs, reversible plating and stripping of calcium at the metal-anode interface was achieved only recently and for very specific electrolyte formulations. Therefore, while much of the current research aims at finding suitable cathodes to achieve proof-of-concept for a full Ca battery, the spectrum of electrolytes researched is also expanded. Compatibility of cell components is essential, and to ensure this, proper characterization is needed, which requires design of a multitude of reliable experimental setups and sometimes methodology development beyond that of other next generation battery technologies. Finally, we conclude with recommendations for future strategies to make best use of the current advances in materials science combined with computational design, electrochemistry, and battery engineering, all to propel the Ca battery technology to reality and ultimately reach its full potential for energy storage
In quest of cathode materials for Ca ion batteries: the CaMO3 perovskites (M = Mo, Cr, Mn, Fe, Co, and Ni)
Basic electrochemical characteristics of CaMO3 perovskites (M = Mo, Cr, Mn, Fe, Co, and Ni) as cathode
materials for Ca ion batteries are investigated using first principles calculations at the Density Functional
Theory level (DFT). Calculations have been performed within the Generalized Gradient Approximation
(GGA) and GGA+U methodologies, and considering cubic and orthorhombic perovskite structures for
CaxMO3 (x = 0, 0.25, 0.5, 0.75 and 1). The analysis of the calculated voltage–composition profile and
volume variations identifies CaMoO3 as the most promising perovskite compound. It combines good
electronic conductivity, moderate crystal structure modifications, and activity in the 2–3 V region with
several intermediate CaxMoO3 phases. However, we found too large barriers for Ca diffusion (around 2 eV)
which are inherent to the perovskite structure. The CaMoO3 perovskite was synthesized, characterized and
electrochemically tested, and results confirmed the predicted trends.The authors would like to thank F. Rosciano for advice and
support in synthesizing the perovskite material and A. Ponrouch
and D. Tchitchekova for assistance with the electrochemical tests.
The Toyota Battery Research division at Higashi Fuji (M6) is
acknowledged for financial support and ICMAB authors are
grateful to the Spanish Ministry of Economy and Competitiveness
for support through the ‘‘Severo Ochoa’’ Programme for Centres
of Excellence in R&D (SEV-2015-0496). M. E. Arroyo acknowledges
access to computational resources from Universidad de Oviedo
(MALTA-Consolider cluster) and to A. Saracibar for assistance in
the analysis of DFT data and fruitful discussions.Peer reviewe
Electronic structure and optical properties of lightweight metal hydrides
We study the electronic structures and dielectric functions of the simple
hydrides LiH, NaH, MgH2 and AlH3, and the complex hydrides Li3AlH6, Na3AlH6,
LiAlH4, NaAlH4 and Mg(AlH4)2, using first principles density functional theory
and GW calculations. All these compounds are large gap insulators with GW
single particle band gaps varying from 3.5 eV in AlH3 to 6.5 eV in the MAlH4
compounds. The valence bands are dominated by the hydrogen atoms, whereas the
conduction bands have mixed contributions from the hydrogens and the metal
cations. The electronic structure of the aluminium compounds is determined
mainly by aluminium hydride complexes and their mutual interactions. Despite
considerable differences between the band structures and the band gaps of the
various compounds, their optical responses are qualitatively similar. In most
of the spectra the optical absorption rises sharply above 6 eV and has a strong
peak around 8 eV. The quantitative differences in the optical spectra are
interpreted in terms of the structure and the electronic structure of the
compounds.Comment: 13 pages, 10 figure
Electronic Structure of the Complex Hydride NaAlH4
Density functional calculations of the electronic structure of the complex
hydride NaAlH4 and the reference systems NaH and AlH3 are reported. We find a
substantially ionic electronic structure for NaAlH4, which emphasizes the
importance of solid state effects in this material. The relaxed hydrogen
positions in NaAlH4 are in good agreement with recent experiment. The
electronic structure of AlH3 is also ionic. Implications for the binding of
complex hydrides are discussed.Comment: 4 pages, 5 figure
Cognition and schizophrenia: from neurocognition to social cognition
Los déficit neurocognitivos en la esquizofrenia
han sido descritos desde las primeras
descripciones del trastorno. Su influencia en
la funcionalidad y en la calidad de vida ha
sido puesta de manifiesto en múltiples estudios.
La iniciativa Measurement and Treatment
Research to Improve Cognition in Schizophrenia
(MATRICS) del National Institute of
Mental Health (NIMH) de Estados Unidos fue
puesta en marcha para impulsar el desarrollo
de una batería cognitiva de consenso que
pudiera ser empleada en ensayos clínicos de
fármacos para mejorar la neurocognición en
la esquizofrenia. Aunque en el momento de
consensuar los diferentes dominios cognitivos
que deberían ser incluidos en dicha batería, la
denominada cognición social no cumplía con
los requisitos para ser incluida, se decidió finalmente
incluir este dominio dada la importante
relación con la funcionalidad que presentaba.
Estudios posteriores han demostrado
el acierto de incluir dicho dominio cognitivo,
dada la relevancia que la cognición social ha
demostrado en relación a la funcionalidad y
calidad de vida de los pacientes con esquizofrenia;
bien como variable per se, o bien como
variable mediadora entre la neurocognición y
la funcionalidad
Neutrophil count is associated with reduced gray matter and enlarged ventricles in first-episode psychosis
Although there is recent evidence that cells from the peripheral immune system can gain access to the central nervous system in certain conditions such as multiple sclerosis, their role has not been assessed in psychosis. Here, we aimed to explore whether blood cell count was associated with brain volume and/or clinical symptomatology. A total of 218 participants (137 first-episode psychosis patients [FEP] and 81 healthy controls [HC]) were included in the study. For each participant, a T1 structural image was acquired, from which brain tissue volumes were calculated. We found that, in FEP, neutrophil count was associated with reduced gray matter (GM) volume (ß = -0.117, P < .001) and increased cerebrospinal fluid volume (ß = 0.191, P = .007). No associations were observed in HC. GM reduction was generalized but more prominent in certain regions, notably the thalamus, the anterior insula, and the left Heschl''s gyrus, among many others. Neutrophil count was also associated with the total PANSS score (ß = 0.173, P = .038), including those items assessing hallucinations (ß = 0.182, P = .028) and avolition (ß = 0.197, P = .018). Several confounders, such as antipsychotic medication, body mass index, and smoking, were controlled for. Overall, the present study may represent the first indirect evidence of brain tissue loss associated with neutrophils in psychosis, and lends support to the hypothesis of a dysregulated immune system. Higher neutrophil count was also associated with more severe clinical symptomatology, which renders it a promising indicator of schizophrenia severity and could even give rise to new therapies
How does neighbourhood socio-economic status affect the interrelationships between functioning dimensions in first episode of psychosis? A network analysis approach
The links between psychosis and socio-economic disadvantage have been widely studied. No previous study has analysed the interrelationships and mutual influences between functioning dimensions in first episode of psychosis (FEP) according to their neighbourhood household income, using a multidimensional and transdiagnostic perspective. 170 patients and 129 controls, participants in an observational study (AGES-CM), comprised the study sample. The WHO Disability Assessment Schedule (WHODAS 2.0) was used to assess functioning, whereas participants' postcodes were used to obtain the average household income for each neighbourhood, collected by the Spanish National Statistics Institute (INE). Network analyses were conducted with the aim of defining the interrelationships between the different dimensions of functioning according to the neighbourhood household income. Our results show that lower neighbourhood socioeconomic level is associated with lower functioning in patients with FEP. Moreover, our findings suggest that “household responsibilities” plays a central role in the disability of patients who live in low-income neighbourhoods, whereas “dealing with strangers” is the most important node in the network of patients who live in high-income neighbourhoods. These results could help to personalize treatments, by allowing the identification of potential functioning areas to be prioritized in the treatment of FEP according to the patient's neighbourhood characteristic
The interplay between functioning problems and symptoms in first episode of psychosis: an approach from network analysis
The relationship between psychotic symptoms and global measures of functioning has been widely studied. No previous study has assessed so far the interplay between specific clinical symptoms and particular areas of functioning in first-episode psychosis (FEP) using network analysis methods. A total of 191 patients with FEP (age 24.45 ± 6.28 years, 64.9% male) participating in an observational and longitudinal study (AGES-CM) comprised the study sample. Functioning problems were assessed with the WHO Disability Assessment Schedule (WHODAS), whereas the Positive and Negative Syndrome Scale (PANSS) was used to assess symptom severity. Network analysis were conducted with the aim of analysing the patterns of relationships between the different dimensions of functioning and PANSS symptoms and factors at baseline. According to our results, the most important nodes were “conceptual disorganization”, “emotional withdrawal”, “lack of spontaneity and flow of conversation”, “delusions”, “unusual thought content”, “dealing with strangers” and “poor rapport”. Our findings suggest that these symptoms and functioning dimensions should be prioritized in the clinical assessment and management of patients with FEP. These areas may also become targets of future early intervention strategies, so as to improve quality of life in this populationThis work was supported by the Madrid Regional Government (R&D
activities in Biomedicine (grant number S2017/BMD-3740 - AGES-CM
2-CM)) and Structural Funds of the European Union. Ana Izquierdo’s
work is supported by the PFIS predoctoral program (FI17/00138) from
the Instituto de Salud Carlos III (Spain) and co-funded by the European
Union (ERDF/ESF, "A way to make Europe”/ “Investing in your future”)
and The Biomedical Research Foundation of La Princesa University Hospital.
Angela Ib´a˜nez thanks the support of CIBERSAM and of the Spanish
Ministry of Science, Innovation and Universities. Instituto de Salud
Carlos III (PI16/00834 and PI19/01295) co-financed by ERDF Funds
from the European Commission. Covadonga M. Díaz-Caneja holds a
Juan Rod´es Grant from Instituto de Salud Carlos III (JR19/00024). Celso
Arango was supported by the Spanish Ministry of Science and Innovation.
Instituto de Salud Carlos III (SAM16PE07CP1, PI16/02012, PI19/
024), co-financed by ERDF Funds from the European Commission, “A
way of making Europe”, CIBERSAM. Madrid Regional Government
(B2017/BMD-3740 AGES-CM-2), European Union Structural Funds.
European Union Seventh Framework Program under grant agreements
FP7-4-HEALTH-2009-2.2.1-2-241909 (Project EU-GEI), FP7- HEALTH-
2013-2.2.1-2-603196 (Project PSYSCAN) and FP7- HEALTH-2013-
2.2.1-2-602478 (Project METSY); and European Union H2020 Program
under the Innovative Medicines Initiative 2 Joint Undertaking
(grant agreement No 115916, Project PRISM, and grant agreement No
777394, Project AIMS-2-TRIALS), Fundaci´on Familia Alonso, Fundaci´on
Alicia Koplowitz and Fundaci´on Mutua Madrile˜n
Cortical thinning over two years after first-episode psychosis depends on age of onset
First-episode psychosis (FEP) patients show structural brain abnormalities at the first episode. Whether the cortical changes that follow a FEP are progressive and whether age at onset modulates these changes remains unclear. This is a multicenter MRI study in a deeply phenotyped sample of 74 FEP patients with a wide age range at onset (15–35 years) and 64 neurotypical healthy controls (HC). All participants underwent two MRI scans with a 2-year follow-up interval. We computed the longitudinal percentage of change (PC) for cortical thickness (CT), surface area (CSA) and volume (CV) for frontal, temporal, parietal and occipital lobes. We used general linear models to assess group differences in PC as a function of age at FEP. We conducted post-hoc analyses for metrics where PC differed as a function of age at onset. We found a significant age-by-diagnosis interaction effect for PC of temporal lobe CT (d = 0.54; p = 002). In a post-hoc-analysis, adolescent-onset (≤19 y) FEP showed more severe longitudinal cortical thinning in the temporal lobe than adolescent HC. We did not find this difference in adult-onset FEP compared to adult HC. Our study suggests that, in individuals with psychosis, CT changes that follow the FEP are dependent on the age at first episode, with those with an earlier onset showing more pronounced cortical thinning in the temporal lobe
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