Your browser doesn't support javascript.
loading
Show: 20 | 50 | 100
Results 1 - 20 de 77
Filter
1.
Phys Chem Chem Phys ; 26(22): 15916-15926, 2024 Jun 06.
Article in English | MEDLINE | ID: mdl-38805377

ABSTRACT

Nanoporous carbon-based membranes have garnered significant interest in gas separation processes owing to their distinct structure and properties. We have investigated the permeation and separation of the mixture of CO2 and CH4 gases through membranes formed by thin layers of porous graphdiyne (GDY) and boron graphdiyne (BGDY) using Density Functional Theory. The main goal is to investigate the effect of the pore size. The interaction of CO2 and CH4 with GDY and BGDY is weak, and this guarantees that those molecules will not be chemically trapped on the surface of the porous membranes. The permeation and separation of CO2 and CH4 through the membranes are significantly influenced by the size of the pores in the layers. The size of the hexagonal pores in BGDY is large in comparison to the size of the two molecules, and the passing of these molecules through the pores is easy because there is no barrier. Then, BGDY is not able to separate CO2 and CH4. In sharp contrast, the size of the triangular pores in GDY is smaller, comparable to the diameter of the two molecules, and this raises an activation barrier for the crossing of the molecules. The height of the barrier for CO2 is one half of that for CH4, the reason being that CO2 is a linear molecule which adopts an orientation perpendicular to the GDY layer to cross the pores, while CH4 has a spherical-like shape, and cannot profit from a favorable orientation. The calculated permeances favor the passing of CO2 through the GDY membrane, and the calculated selectivity for CO2/CH4 mixtures is large. This makes GDY a very promising membrane material for the purification of commercial gases and for the capture of the CO2 component in those gases.

2.
Small ; : e2312235, 2024 Mar 03.
Article in English | MEDLINE | ID: mdl-38433104

ABSTRACT

Bombarding WS2 multilayered nanoparticles and nanotubes with focused ion beams of Ga+ ions at high doses, larger than 1016 cm-2 , leads to drastic structural changes and melting of the material. At lower doses, when the damage is negligible or significantly smaller, the amount of implanted Ga is very small. A substantial increase in the amount of implanted Ga, and not appreciable structural damage, are observed in nanoparticles previously hydrogenated by a radio-frequency activated hydrogen plasma. Density functional calculations reveal that the implantation of Ga in the spaces between adjacent layers of pristine WS2 nanoparticles is difficult due to the presence of activation barriers. In contrast, in hydrogenated WS2 , the hydrogen molecules are able to intercalate in between adjacent layers of the WS2 nanoparticles, giving rise to the expansion of the interlayer distances, that in practice leads to the vanishing of the activation barrier for Ga implantation. This facilitates the implantation of Ga atoms in the irradiation experiments.

3.
Heliyon ; 9(7): e18271, 2023 Jul.
Article in English | MEDLINE | ID: mdl-37539099

ABSTRACT

Natural ventilation in low-budget elementary schools is the main focus to ensure the health and comfort of its occupants, specifically when looking at the global pandemic related to SARS-COV-2. This paper presents an experimental and novel study of natural ventilation in a public elementary school (Los Zumacales), with a particularly low economic budget. The study was carried out during the winter months of the Covid 19 pandemic. The school is located in the rural area of Castilla y León (North-Western Spain) far from high traffic roads. In this study, a methodology of measuring CO2 concentration was applied in nine classrooms in a school. The experimental study shows the level of natural ventilation in each classroom, expressed in Air Changes per Hour (ACH), using the Decay CO2 concentration method. The method is proven by comparing the experimental values of the obtained ACH with those determined by the most powerful methods to achieve appropriate ventilation levels. Thus, ensuring health protection protocol in rural schools, against the COVID 19 pandemic. Harvard guide and Spanish regulations (RITE), two widely recognized methods have been used together with the experimentally obtained standard by Rey et al. Only one classroom showed a value lower than 3 indicating poor ventilation. In this study, the degree of thermal comfort in the nine classrooms were also analyzed according to the EN15251 standard. An average indoor temperature of approximately 19 °C was obtained, and the relative humidity was stable and correct according to Spanish regulations. In addition, the risk of infection in each classroom was estimated following the international method recommended by the federation of European Heating, Ventilation, and Air Conditioning Associations (REHVA). The probability of infection in all the cases studied was less than 14%. Therefore, this study provides a strong response against infections illnesses, such as Covid 19, in educational buildings where economic budgets of their facilities are low in both, maintenance and investment.

4.
Nutrients ; 15(13)2023 Jun 25.
Article in English | MEDLINE | ID: mdl-37447206

ABSTRACT

Cancer cells cannot proliferate and survive unless they obtain sufficient levels of the 20 proteinogenic amino acids (AAs). Unlike normal cells, cancer cells have genetic and metabolic alterations that may limit their capacity to obtain adequate levels of the 20 AAs in challenging metabolic environments. However, since normal diets provide all AAs at relatively constant levels and ratios, these potentially lethal genetic and metabolic defects are eventually harmless to cancer cells. If we temporarily replace the normal diet of cancer patients with artificial diets in which the levels of specific AAs are manipulated, cancer cells may be unable to proliferate and survive. This article reviews in vivo studies that have evaluated the antitumor activity of diets restricted in or supplemented with the 20 proteinogenic AAs, individually and in combination. It also reviews our recent studies that show that manipulating the levels of several AAs simultaneously can lead to marked survival improvements in mice with metastatic cancers.


Subject(s)
Amino Acids , Neoplasms , Mice , Animals , Amino Acids/metabolism , Diet , Neoplasms/drug therapy
5.
Heliyon ; 9(4): e15420, 2023 Apr.
Article in English | MEDLINE | ID: mdl-37151657

ABSTRACT

Financial institutions' scale of total and non-performing loans are important figures signaling economic activity and its risk level. COVID-19 created an external shock with overarching effects on the global economy, impacting the credit activity and debtors' ability to repay their obligations. We study how Colombia's loans and non-performing loans market ratios could react to an external shock (absent of any relief measures) by developing a vector autoregressive model with exogenous variables (VARX) with the Central Bank intervention rate as an exogenous variable. We use impulse response functions to simulate the impact of the COVID-19 pandemic on the market of loans and default levels in Colombia. Our results show that the effects remain significant over long periods.

6.
Nat Metab ; 5(4): 642-659, 2023 04.
Article in English | MEDLINE | ID: mdl-37012496

ABSTRACT

Cancer cells fuel their increased need for nucleotide supply by upregulating one-carbon (1C) metabolism, including the enzymes methylenetetrahydrofolate dehydrogenase-cyclohydrolase 1 and 2 (MTHFD1 and MTHFD2). TH9619 is a potent inhibitor of dehydrogenase and cyclohydrolase activities in both MTHFD1 and MTHFD2, and selectively kills cancer cells. Here, we reveal that, in cells, TH9619 targets nuclear MTHFD2 but does not inhibit mitochondrial MTHFD2. Hence, overflow of formate from mitochondria continues in the presence of TH9619. TH9619 inhibits the activity of MTHFD1 occurring downstream of mitochondrial formate release, leading to the accumulation of 10-formyl-tetrahydrofolate, which we term a 'folate trap'. This results in thymidylate depletion and death of MTHFD2-expressing cancer cells. This previously uncharacterized folate trapping mechanism is exacerbated by physiological hypoxanthine levels that block the de novo purine synthesis pathway, and additionally prevent 10-formyl-tetrahydrofolate consumption for purine synthesis. The folate trapping mechanism described here for TH9619 differs from other MTHFD1/2 inhibitors and antifolates. Thus, our findings uncover an approach to attack cancer and reveal a regulatory mechanism in 1C metabolism.


Subject(s)
Methylenetetrahydrofolate Dehydrogenase (NADP) , Neoplasms , Methylenetetrahydrofolate Dehydrogenase (NADP)/genetics , Methylenetetrahydrofolate Dehydrogenase (NADP)/metabolism , Folic Acid/metabolism , Formates , Purines , Tetrahydrofolates
7.
Cancers (Basel) ; 15(5)2023 Feb 28.
Article in English | MEDLINE | ID: mdl-36900331

ABSTRACT

Patients with metastatic triple negative breast cancer (TNBC) need new therapies to improve the low survival rates achieved with standard treatments. In this work, we show for the first time that the survival of mice with metastatic TNBC can be markedly increased by replacing their normal diet with artificial diets in which the levels of amino acids (AAs) and lipids are strongly manipulated. After observing selective anticancer activity in vitro, we prepared five artificial diets and evaluated their anticancer activity in a challenging model of metastatic TNBC. The model was established by injecting 4T1 murine TNBC cells into the tail vein of immunocompetent BALB/cAnNRj mice. First-line drugs doxorubicin and capecitabine were also tested in this model. AA manipulation led to modest improvements in mice survival when the levels of lipids were normal. Reducing lipid levels to 1% markedly improved the activity of several diets with different AA content. Some mice fed the artificial diets as monotherapy lived much longer than mice treated with doxorubicin and capecitabine. An artificial diet without 10 non-essential AAs, with reduced levels of essential AAs, and with 1% lipids improved the survival not only of mice with TNBC but also of mice with other types of metastatic cancers.

8.
Int J Mol Sci ; 24(5)2023 Feb 27.
Article in English | MEDLINE | ID: mdl-36902018

ABSTRACT

Sulfur-containing amino acids methionine (Met), cysteine (Cys) and taurine (Tau) are common dietary constituents with important cellular roles. Met restriction is already known to exert in vivo anticancer activity. However, since Met is a precursor of Cys and Cys produces Tau, the role of Cys and Tau in the anticancer activity of Met-restricted diets is poorly understood. In this work, we screened the in vivo anticancer activity of several Met-deficient artificial diets supplemented with Cys, Tau or both. Diet B1 (6% casein, 2.5% leucine, 0.2% Cys and 1% lipids) and diet B2B (6% casein, 5% glutamine, 2.5% leucine, 0.2% Tau and 1% lipids) showed the highest activity and were selected for further studies. Both diets induced marked anticancer activity in two animal models of metastatic colon cancer, which were established by injecting CT26.WT murine colon cancer cells in the tail vein or peritoneum of immunocompetent BALB/cAnNRj mice. Diets B1 and B2B also increased survival of mice with disseminated ovarian cancer (intraperitoneal ID8 Tp53-/- cells in C57BL/6JRj mice) and renal cell carcinoma (intraperitoneal Renca cells in BALB/cAnNRj mice). The high activity of diet B1 in mice with metastatic colon cancer may be useful in colon cancer therapy.


Subject(s)
Amino Acids, Sulfur , Carcinoma, Renal Cell , Colonic Neoplasms , Kidney Neoplasms , Ovarian Neoplasms , Mice , Animals , Female , Humans , Amino Acids, Sulfur/metabolism , Caseins , Leucine , Mice, Inbred C57BL , Methionine/metabolism , Cysteine/metabolism , Diet , Taurine/metabolism , Racemethionine , Lipids
9.
Edumecentro ; 152023.
Article in Spanish | LILACS | ID: biblio-1514090

ABSTRACT

Fundamento: la pandemia de COVID-19 ha tenido un efecto socioeconómico disruptivo en el mundo; pero ha dejado huellas que constituyen lecciones aprendidas entre la población de numerosos países. Objetivo: describir las huellas históricas de la COVID-19 en el municipio de Manicaragua, Villa Clara, Cuba, como expresión de la reorganización y regionalización de los servicios de salud que demandaba el enfrentamiento a la pandemia. Métodos: se realizó un estudio descriptivo longitudinal cuantitativo sobre el comportamiento de la COVID-19 en Manicaragua desde el inicio de la pandemia, abril 2020 hasta el 2022. Se emplearon métodos teóricos: análitico-sintético e histórico-lógico; empíricos: análisis documental; y matemático-estadísticos: para los valores absolutos y relativos. Resultados: fue analizado el impacto de la COVID-19 a partir de los casos diagnosticados y sus tasas de incidencia por habitantes en las distintas áreas de salud. Se destacan cifras predominantes: el poblado de Manicaragua y el grupo etario de 19 a 64 años como los de mayor presencia de contagiados, la fuente de infección superior fue la intradomiciliaria y Estados Unidos como el país que aportó la mayor cifra de contaminados. Se argumentan algunas formas de indisciplinas sociales como causas de los rebrotes epidemiológicos. Conclusiones: la COVID-19 dejó huellas que pueden considerarse históricas en Manicaragua, pues representó una pausa en su desarrollo social y un reordenamiento de los servicios médicos asistenciales. El incumplimiento de los protocolos y la actuación comunitaria frente a las indisciplinas sociales hoy se consideran lecciones aprendidas frente a próximos eventos epidemiológicos.


Background: the COVID-19 pandemic has had a disruptive socioeconomic effect on the world; but it has left traces that constitute lessons learned among the population of many countries. Objective: to describe the historical traces of COVID-19 in the municipality of Manicaragua, Villa Clara, Cuba, as an expression of the reorganization and regionalization of health services that the confrontation with the pandemic demanded. Methods: a quantitative longitudinal descriptive study was carried out on the behavior of COVID-19 in Manicaragua from the beginning of the pandemic, April 2020 to 2022. Theoretical methods were used: analytical-synthetic and historical-logical; empirical ones: documentary analysis; and mathematical-statistical: for absolute and relative values. Results: the impact of COVID-19 was analyzed based on the diagnosed cases and their incidence rates per population in the different health areas. Predominant figures stand out: the town of Manicaragua and the age group from 19 to 64 years as the ones with the highest presence of infected people, the highest source of infection was intra-domiciliary and the United States as the country that contributed the highest number of infected people. Some forms of social indiscipline are argued as causes of epidemiological outbreaks. Conclusions: COVID-19 left traces that can be considered historical in Manicaragua, since it represented a pause in its social development and a reordering of medical care services. Failure to comply with the protocols and community action against social indiscipline today are considered lessons learned in the face of upcoming epidemiological events.


Subject(s)
Coronavirus Infections , Education, Medical , History of Medicine
10.
Int J Mol Sci ; 23(24)2022 Dec 17.
Article in English | MEDLINE | ID: mdl-36555771

ABSTRACT

Targeted therapies with antiangiogenic drugs (e.g., sunitinib) and immune checkpoint inhibitors (e.g., anti-PD-1 antibodies) are the standard of care for patients with metastatic renal cell carcinoma. Although these treatments improve patient survival, they are rarely curative. We previously hypothesized that advanced cancers might be treated without drugs by using artificial diets in which the levels of specific amino acids (AAs) are manipulated. In this work, after showing that AA manipulation induces selective anticancer activity in renal cell carcinoma cells in vitro, we screened 18 artificial diets for anticancer activity in a challenging animal model of renal cell carcinoma. The model was established by injecting murine renal cell carcinoma (Renca) cells into the peritoneum of immunocompetent BALB/cAnNRj mice. Mice survival was markedly improved when their normal diet was replaced with our artificial diets. Mice fed a diet lacking six AAs (diet T2) lived longer than mice treated with sunitinib or anti-PD-1 immunotherapy; several animals lived very long or were cured. Controlling the levels of several AAs (e.g., cysteine, methionine, and leucine) and lipids was important for the anticancer activity of the diets. Additional studies are needed to further evaluate the therapeutic potential and mechanism of action of this simple and inexpensive anticancer strategy.


Subject(s)
Carcinoma, Renal Cell , Kidney Neoplasms , Animals , Mice , Carcinoma, Renal Cell/drug therapy , Carcinoma, Renal Cell/pathology , Sunitinib/pharmacology , Sunitinib/therapeutic use , Amino Acids , Kidney Neoplasms/pathology , Diet
12.
Nutrients ; 14(16)2022 Aug 17.
Article in English | MEDLINE | ID: mdl-36014884

ABSTRACT

New therapies are needed to improve the low survival rates of patients with metastatic colon cancer. Evidence suggests that amino acid (AA) restriction can be used to target the altered metabolism of cancer cells. In this work, we evaluated the therapeutic potential of selective AA restriction in colon cancer. After observing anticancer activity in vitro, we prepared several artificial diets and evaluated their anticancer activity in two challenging animal models of metastatic colon cancer. These models were established by injecting CT26.WT murine colon cancer cells in the peritoneum (peritoneal dissemination) or in the tail vein (pulmonary metastases) of immunocompetent BALB/cAnNRj mice. Capecitabine, which is a first-line treatment for patients with metastatic colon cancer, was also evaluated in these models. Mice fed diet TC1 (a diet lacking 10 AAs) and diet TC5 (a diet with 6% casein, 5% glutamine, and 2.5% leucine) lived longer than untreated mice in both models; several mice survived the treatment. Diet TC5 was better than several cycles of capecitabine in both cancer models. Cysteine supplementation blocked the activity of diets TC1 and TC5, but cysteine restriction was not sufficient for activity. Our results indicated that artificial diets based on selective AA restriction have therapeutic potential for colon cancer.


Subject(s)
Colonic Neoplasms , Rectal Neoplasms , Amino Acids/metabolism , Animals , Capecitabine/therapeutic use , Colonic Neoplasms/drug therapy , Colonic Neoplasms/pathology , Cysteine/therapeutic use , Diet , Mice
13.
Neuroradiology ; 64(12): 2315-2322, 2022 Dec.
Article in English | MEDLINE | ID: mdl-35583667

ABSTRACT

PURPOSE: To qualitatively and quantitatively compare synthetic and conventional MRI sequences acquired on a 1.5-T system for patients with multiple sclerosis (MS). METHODS: Prospective study that involved twenty-seven consecutive relapsing-remitting MS patients scanned on a 1.5-T MRI scanner. The MRI protocol included 2D transverse conventional spin-echo sequences: proton density-weighted (PD), T2-weighted, T2-FLAIR, and T1-weighted. Synthetic images were generated using 2D transverse QRAPMASTER and SyMRI software with the same voxel size, repetition, echo, and inversion times as the conventional sequences. Four raters performed a crosstab qualitative analysis that involved evaluating global image quality, contrast, flow artefacts, and confidence in lesion assessment introducing the concepts of predominance, agreement, and disagreement. A quantitative analysis was also performed and included evaluating the number of lesions (periventricular, juxtacortical, brainstem, and cerebellum) and the contrast-to-noise ratio between regions (CSF, white matter, grey matter, lesions). RESULTS: The global image quality assessment showed predominance for better scores for conventional sequences over synthetic sequences, whereas contrast, confidence in lesion assessment, and flow artefacts showed predominance for agreement between sequences. There was predominance for disagreement between all pairs of raters in most of the evaluated qualitative parameters. Synthetic PD and T2-FLAIR images showed higher contrast-to-noise ratios than the corresponding conventional images for most comparison between regions. There were no significant differences in the number of lesions detected for most of the study regions between conventional and synthetic images. CONCLUSION: Synthetic MRI can be potentially used as an alternative to conventional brain MRI sequences in the assessment of MS.


Subject(s)
Multiple Sclerosis , Humans , Multiple Sclerosis/diagnostic imaging , Multiple Sclerosis/pathology , Prospective Studies , Magnetic Resonance Imaging/methods , Brain/diagnostic imaging , Brain/pathology , Artifacts
14.
Phys Chem Chem Phys ; 24(5): 2729-2751, 2022 Feb 02.
Article in English | MEDLINE | ID: mdl-35077528

ABSTRACT

Palladium is a late transition metal element in the 4d row of the periodic table. Palladium nanoparticles show efficient catalytic activity and selectivity in a number of chemical reactions. In this paper, we review the structural and electronic properties of palladium nanoclusters, both isolated and deposited on the surface of different substrates. Careful experiments and extensive calculations have been performed for small Pd clusters which provide ample information on their properties. Work on large Pd clusters is less abundant and more difficult to perform and interpret. Cluster deposition is a method to modify material surfaces for different applications, and we report the known results for the deposition of Pd clusters on the surfaces of a number of interesting substrates: carbonaceous substrates like graphene and some layered novel materials related to graphene, metal oxide substrates, silicon and silicon-related substrates and metallic alloy substrates. Emphasis is placed on revealing how the structural, electronic and magnetic properties change when the clusters are deposited on the substrate surfaces. Some examples of chemical reactions catalyzed by supported Pd clusters and nanoparticles are reported. An issue discussed in detail is the influence of Pd on the storage of hydrogen in porous materials. Experimental work shows that the amount of stored hydrogen increases when the absorbing material is doped with Pd atoms, clusters and nanoparticles, and a spillover mechanism from the metal particle to the substrate is usually accepted as the explanation. To shed light on this issue, a critical analysis based on density functional simulations of the mechanisms of hydrogen spillover in perfect and defective graphene doped with palladium clusters is presented.

15.
Plants (Basel) ; 10(10)2021 Oct 15.
Article in English | MEDLINE | ID: mdl-34686002

ABSTRACT

Finding cytotoxic drugs with a high selectivity towards cancer cells is crucial to improve the low survival rates of patients diagnosed with metastatic cancers. Since plants are an important source of anticancer drugs, we have screened 65 extracts from 45 plants collected in several areas of Western Andalusia (Spain) for cytotoxic activity on lung cancer cells versus lung normal cells. An extract from the leaves of Tetraclinis articulata (Vahl) Mast. (Cupressaceae) showed a marked cytotoxicity (IC50 = 0.37 ± 0.03 µg/mL) and selectivity (selectivity index = 378.3) against the lung cancer cells; cisplatin, 5-fluorouracil, and an extract from the leaves of Taxus baccata L. (Taxaceae) were less cytotoxic and selective. Extracts from Cascabela thevetia (L.) Lippold (Apocynaceae), Frangula alnus Mill. (Rhamnaceae), Iberis ciliata subsp. contracta (Pers.) Moreno (Brassicaceae), Juniperus macrocarpa Sm (Cupressaceae), and Pancratium maritimum L. (Amaryllidaceae) also showed selective cytotoxicity (selectivity index > 10). Active extracts were also tested against a panel of cancer cell lines from a variety tissues. The plants identified in this work are potential sources of natural compounds with selective toxicity towards cancer cells.

16.
Appetite ; 163: 105232, 2021 08 01.
Article in English | MEDLINE | ID: mdl-33811945

ABSTRACT

Persons look for beverages to satisfy thirst (refresh) and feel fulfilled (thick). However, refreshing and thickness are concepts that lack a measurement instrument that captures an accurate judgment of consumers' perceptions. This research aims to propose a tool to assess consumers' refreshing and thickness expectations of fruit juices. Items were developed through a two-stage qualitative-exploratory study, followed by a quantitative study describing the scale's composition using an Item Response Theory approach. Hence, we suggest a set of items to consider when measuring both concepts from a perception task. Moreover, results show that thickness and refreshing are distinct and independent ideas. We provide a theoretical contribution defining each construct and recognizing the attributes that best describe refreshing and thickness for five different fruit juices. Our methodological contribution is creating a scale for each of the concepts. Practically, developing a thickness and refreshing scale is useful for product developers and marketers who expect to satisfy consumers' needs for soft drinks.


Subject(s)
Beverages , Fruit and Vegetable Juices , Beverages/analysis , Carbonated Beverages , Fruit , Psychometrics , Thirst
17.
Biomedicines ; 10(1)2021 Dec 25.
Article in English | MEDLINE | ID: mdl-35052721

ABSTRACT

We recently screened a series of new aziridines ß-D-galactopyranoside derivatives for selective anticancer activity and identified 2-methyl-2,3-[N-(4-methylbenzenesulfonyl)imino]propyl 2,3-di-O-benzyl-4,6-O-(S)-benzylidene-ß-D-galactopyranoside (AzGalp) as the most promising compound. In this article, we explore the possible mechanisms involved in the cytotoxicity of this aziridine and evaluate its selective anticancer activity using cancer cells and normal cells from a variety of tissues. Our data show that AzGalp induces DNA damage (comet assay). Cells deficient in the nucleotide excision repair (NER) pathway were hypersensitive to the cytotoxicity of this compound. These results suggest that AzGalp induces bulky DNA adducts, and that cancer cells lacking a functional NER pathway may be particularly vulnerable to the anticancer effects of this aziridine. Several experiments revealed that neither the generation of oxidative stress nor the inhibition of glycolysis played a significant role in the cytotoxicity of AzGalp. Combinations of AzGalp with oxaliplatin or 5-fluorouracil slightly improved the ability of both anticancer drugs to selectively kill cancer cells. AzGalp also showed selective cytotoxicity against a panel of malignant cells versus normal cells; the highest selectivity was observed for two acute promyelocytic leukemia cell lines. Additional preclinical studies are necessary to evaluate the anticancer potential of AzGalp.

18.
Build Environ ; 185: 107265, 2020 Nov.
Article in English | MEDLINE | ID: mdl-32939104

ABSTRACT

In this research paper, an analysis is developed on the performance of a hybrid ventilation system that combines Earth-to-Air Heat eXchangers (EAHX), free cooling and evaporative cooling Air Handling Unit Heat eXchanger (AHU-HX), all being controlled by a Building Management System (BMS) in a net Zero Energy Building (nZEB), called LUCIA. LUCIA nZEB is the first safe-building against Covid-19 in the world, certified by the international organisation WOSHIE, and located in Valladolid, Spain. The main aim is to optimize the performance of the three systems in such a way that the Indoor Air Quality (IAQ) levels remain within the allowable limits, while maximizing the use of natural resources and minimizing energy consumption and carbon emissions. The approach to satisfy the heating and cooling demand and IAQ levels through zero emissions energy systems is developed, thus anticipating the zero-energy target, set by the European Union for 2050. Results showed that the installed hybrid ventilation system uses heat exchangers for 70% of the operational time, in order to achieve the set parameters successfully. Also, the analysis made by monitoring data, have shown that the control and optimal operation of the hybrid ventilation system allows high energy recovery values with minimum additional electricity consumption. Significant reduction of carbon emissions and operational costs have been achieved.

19.
J Phys Chem A ; 124(32): 6468-6477, 2020 Aug 13.
Article in English | MEDLINE | ID: mdl-32668160

ABSTRACT

Ag and Co metals do not form macroscopic solid or liquid alloys. However, AgmCon clusters have been produced in dual-target dual-laser vaporization experiments, and the same occurs for other pairs of immiscible metals. We have performed density functional calculations to shed light on this phenomenon. The main result, obtained for clusters with sizes m + n not larger than 11, is that the cohesive energies justify that those clusters can be formed starting from free Ag and Co atoms, which is the case in the vaporization experiments. At the same time, mixing of Ag and Co is difficult even at the nanoscale. This is revealed by the application of several miscibility criteria. Those two features become, nevertheless, compatible in the clusters. Even if the cluster sizes considered are small, the emerging trend becomes clear: Co atoms form a core in the inner part, surrounded by a shell of Ag atoms on the surface. A consequence is that core-shell clusters can be formed from pairs of metals that do not form macroscopic alloys. The magnetic moments µ of the AgmCon clusters are due mainly to the Co atoms, and the presence of Ag induces a reduction in the magnitude of µ.

20.
Chemphyschem ; 21(10): 1012-1018, 2020 May 18.
Article in English | MEDLINE | ID: mdl-32233111

ABSTRACT

The adsorption of molecular deuterium (D2 ) onto charged cobalt-fullerene-complexes Con C60 + (n=1-8) is measured experimentally in a few-collision reaction cell. The reactivity is strongly size-dependent, hinting at clustering of the transition metal atoms on the fullerenes. Formation and desorption rate constants are obtained from the pressure-dependent deuterogenation curves. DFT calculations indeed find that this transition metal clustering is energetically more favorable than decorating the fullerene. For n=1, D2 is predicted to bind molecularly and for n=2 dissociative and molecular configurations are quasi-isoenergetic. For n=3-8, dissociation of D2 is thermodynamically preferred. However, reaching the ground state configuration with dissociated deuterium on the timescale of the experiment may be hindered by dissociation barriers.

SELECTION OF CITATIONS
SEARCH DETAIL
...