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Keywords = DFT+DMFT

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14 pages, 1117 KB  
Article
Oral Health Status Among Children and Adolescents from Vulnerable Populations: A Cross-Sectional Study in Seville, Spain
by Rodolfo Esteban Reyes-Lara, Adrián Curto, David Ribas-Perez, Ignacio Barbero-Navarro, Diego Rodriguez-Menacho, Javier Flores-Fraile and Antonio Castaño-Séiquer
Dent. J. 2025, 13(11), 522; https://doi.org/10.3390/dj13110522 - 7 Nov 2025
Viewed by 1079
Abstract
Background/Objectives: The aim of this study was to evaluate the oral health status of socially vulnerable children and adolescents in Seville and to examine its associations with behavioral and sociodemographic determinants. We hypothesized that greater social vulnerability and suboptimal behaviors would be [...] Read more.
Background/Objectives: The aim of this study was to evaluate the oral health status of socially vulnerable children and adolescents in Seville and to examine its associations with behavioral and sociodemographic determinants. We hypothesized that greater social vulnerability and suboptimal behaviors would be associated with higher caries experience. Methods: A cross-sectional analytical study was conducted on 250 participants aged 2 to 17 years attending the Luis Séiquer Social Dentistry Foundation between January and March 2025. Clinical examinations followed the WHO Oral Health Surveys: Basic Methods (5th edition, 2013) and were performed by a calibrated dentist. Variables included dental caries indices (dft, DMFT), pulpal treatment needs, and oral hygiene practices. Statistical analyses included Kruskal–Wallis, Mann–Whitney U, Fisher’s exact tests, and multivariate regression models (significance level p < 0.05). Results: Caries prevalence was high across all age groups, particularly in primary dentition (mean dft = 3.05 ± 3.80; DMFT = 2.99 ± 3.66; p < 0.001). Pulp therapy needs were significantly higher among preschoolers (mean = 2.22 ± 2.31). Factors such as low parental education, migrant background, insufficient toothbrushing frequency, and frequent sugar intake were strongly associated with poorer oral health outcomes. Although fluoridated toothpaste use was widespread (>94%), dental floss use remained limited (34.8%). Multivariate analyses confirmed a strong association between social inequalities and oral disease burden. Conclusions: Children and adolescents from vulnerable groups in Seville experience a high prevalence of dental caries and substantial unmet treatment needs. Findings highlight marked oral health disparities linked to socioeconomic status, emphasizing the urgent need for early preventive programs, culturally adapted oral health education, and equitable access to dental care. Full article
(This article belongs to the Topic Preventive Dentistry and Public Health)
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15 pages, 642 KB  
Article
MIH and Cavities as Markers of Oral Health Inequality in Children from Southwest Andalusia (Spain)
by Leidy Bech Barcaz, David Ribas-Pérez, Paloma Villalva Hernandez-Franch, Luis El Khoury-Moreno, Julio Torrejón-Martínez and Antonio Castaño-Séiquer
Dent. J. 2025, 13(8), 345; https://doi.org/10.3390/dj13080345 - 26 Jul 2025
Cited by 1 | Viewed by 1101
Abstract
Introduction: Dental caries and molar–incisor hypomineralisation (MIH) are prevalent conditions affecting children’s oral health, with functional, aesthetic, and psychosocial implications. In Spain, previous studies have highlighted geographic and sociodemographic disparities in their distribution, particularly among rural and migrant populations. Objective: To characterise oral [...] Read more.
Introduction: Dental caries and molar–incisor hypomineralisation (MIH) are prevalent conditions affecting children’s oral health, with functional, aesthetic, and psychosocial implications. In Spain, previous studies have highlighted geographic and sociodemographic disparities in their distribution, particularly among rural and migrant populations. Objective: To characterise oral health status, in terms of caries and MIH, among 6–7-year-old children from the towns of Palos de la Frontera, Mazagón, and San Bartolomé. Methods: A cross-sectional study was conducted involving 229 children recruited from public primary schools. Sociodemographic, anthropometric, and behavioural data were collected through clinical examination and interview. Statistical analysis included univariate and multivariate logistic regression. The study protocol was approved by the Ethics Committee of Huelva. Results: The prevalence of caries (DMFT ≥ 1) was 53.3%, with mean DMFT and dft indices of 1.78 and 0.31, respectively. MIH affected 32.8% of the cohort, with a predominance in the first permanent molars (teeth 36 and 26). Multivariate analysis identified independent predictors of caries: African (OR = 7.47; 95% CI: 2.84–23.8) and European (OR = 4.56; 95% CI: 1.26–22.3) parental origin, poor oral hygiene (OR = 3.07; 95% CI: 1.60–6.03), and the presence of MIH (OR = 3.20; 95% CI: 1.64–6.42). The municipality of San Bartolomé was associated with a higher risk of MIH (OR = 2.90; 95% CI: 1.21–7.45). Conclusions: The high prevalence of caries and MIH in the Condado-Campiña district, exceeding national averages, reflects oral health inequities linked to social determinants (migrant origin, locality) and clinical factors (MIH, oral hygiene). Targeted preventive interventions are urgently needed in high-risk populations, including culturally tailored education and policies ensuring equitable access to dental care services. Full article
(This article belongs to the Topic Preventive Dentistry and Public Health)
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13 pages, 751 KB  
Article
Effect of t2g-Correlations and Doping in CrSBr Ferromagnetic Semiconductor
by Luis Craco and Sabrina Silva Carara
Condens. Matter 2025, 10(2), 27; https://doi.org/10.3390/condmat10020027 - 28 Apr 2025
Cited by 3 | Viewed by 2069
Abstract
We perform a comprehensive analysis of the correlated electronic structure reconstruction of the ferromagnetic CrSBr van der Waals (vdW) bulk crystal. Using generalized gradient approximation combined with dynamical mean-field theory, we show the minor role played by multi-orbital electron–electron interactions in semiconducting CrSBr. [...] Read more.
We perform a comprehensive analysis of the correlated electronic structure reconstruction of the ferromagnetic CrSBr van der Waals (vdW) bulk crystal. Using generalized gradient approximation combined with dynamical mean-field theory, we show the minor role played by multi-orbital electron–electron interactions in semiconducting CrSBr. Our study is relevant to understanding the electronic structure within the Cr3+ oxidation state with strongly spin-polarized t2g orbitals and should be applicable to other ferromagnetic vdW materials from bulk down to the low-dimensional limit. This work is relevant for understanding orbital and spin selectivity and its link to the memristor current–voltage characteristic of CrSBr for future neuromorphic computing. Full article
(This article belongs to the Section Condensed Matter Theory)
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16 pages, 1113 KB  
Article
Atomic Many-Body Selectivity in Cubic CsPbI3 Solar Cell Memristor
by Luis Craco and Sabrina S. Carara
Compounds 2025, 5(1), 7; https://doi.org/10.3390/compounds5010007 - 19 Mar 2025
Viewed by 1727
Abstract
Using DFT+DMFT, we show the importance of spin-orbit coupling together with multi-orbital interactions in prescribing the reconstructed electronic state of the cubic CsPbI3 crystal. Considering realistic Coulomb parameter values and Pb-spin-orbit interaction, we uncover relevant key features in the one-particle spectral functions [...] Read more.
Using DFT+DMFT, we show the importance of spin-orbit coupling together with multi-orbital interactions in prescribing the reconstructed electronic state of the cubic CsPbI3 crystal. Considering realistic Coulomb parameter values and Pb-spin-orbit interaction, we uncover relevant key features in the one-particle spectral functions for the Pb-6p and I-5p orbitals of semiconducting CsPbI3 bulk crystal and the role played by p and n doping relevant for band-selective metallicity and current-voltage characteristics. The implication of our study for cubic CsPbI3 is expected to be an important step to understanding the electronic structure of pure and doped broadband solar cell-based memristor materials for neuromorphic computing. Full article
(This article belongs to the Special Issue Feature Papers in Compounds (2025))
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11 pages, 415 KB  
Article
Orbital-Nematic and Two-Fluid Superconductivity in Hole-Doped NdNiO2
by Luis Craco
Condens. Matter 2025, 10(1), 18; https://doi.org/10.3390/condmat10010018 - 14 Mar 2025
Cited by 1 | Viewed by 1244
Abstract
Based on DFT + DMFT, we investigate the orbital-nematic and s-wave superconducting states of a hole-doped NdNiO2 superconductor. We emphasize the role played by the interorbital proximity effect in determining the orbital-selective electronic state both in the normal and superconducting phases. [...] Read more.
Based on DFT + DMFT, we investigate the orbital-nematic and s-wave superconducting states of a hole-doped NdNiO2 superconductor. We emphasize the role played by the interorbital proximity effect in determining the orbital-selective electronic state both in the normal and superconducting phases. Specifically, we show how orbital-nematic plus s-wave pairing symmetry acting on the xz orbital might have pronounced effects on proximitized non-superconducting Ni-3d orbitals due to many-particle electron–electron interactions. This work represents a step forward in understanding the emergence of two-fluid superconductivity (with superconducting xz and non-superconducting xy,yz,x2y2,3z2r2 channels) in hole-doped NdNiO2 superconductors. Full article
(This article belongs to the Special Issue Complexity in Quantum Materials: In Honor of Prof. K.A. Muller)
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14 pages, 465 KB  
Article
Orbital Selectivity in Pure and Electron-Doped MoO2 Superconductor
by Luis Craco
Processes 2025, 13(2), 565; https://doi.org/10.3390/pr13020565 - 17 Feb 2025
Cited by 1 | Viewed by 871
Abstract
Inspired by experiments manifesting unconventional metallic behavior in MoO2±δ and superconductivity in KxMoO2δ, we present t2g-DFT+DMFT results for monoclinic MoO2. We unearth the role played by multi-orbital, many-particle physics [...] Read more.
Inspired by experiments manifesting unconventional metallic behavior in MoO2±δ and superconductivity in KxMoO2δ, we present t2g-DFT+DMFT results for monoclinic MoO2. We unearth the role played by multi-orbital, many-particle physics in understanding the emergence of 4d-orbital selectivity with coexisting pseudogapped, resilient, and Fermi-liquid quasiparticles, which might host unconventional superconductivity in K-doped MoO2 bulk crystals at low temperatures. Our findings highlight the capability of DFT+DMFT to bridge the gap between electronic structure and electric transport in multi-orbital Hubbard models, providing insights into spin and charge fluctuations, as well as their role in orbital-selective non-Fermi liquid formation. Full article
(This article belongs to the Special Issue Transport and Energy Conversion at the Nanoscale and Molecular Scale)
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12 pages, 871 KB  
Article
Atomristor Mott Theory of Sn Adatom Adlayer on a Si Surface
by Luis Craco, Edson F. Chagas, Sabrina S. Carara and Byron Freelon
Condens. Matter 2024, 9(3), 32; https://doi.org/10.3390/condmat9030032 - 2 Aug 2024
Cited by 4 | Viewed by 2309
Abstract
We use a combination of density functional theory (DFT) and dynamical mean field theory (DMFT) to unveil orbital field-induced electronic structure reconstruction of the atomic Sn layer deposited onto a Si(111) surface (Sn/Si(111)−3×3R30), also referred to [...] Read more.
We use a combination of density functional theory (DFT) and dynamical mean field theory (DMFT) to unveil orbital field-induced electronic structure reconstruction of the atomic Sn layer deposited onto a Si(111) surface (Sn/Si(111)−3×3R30), also referred to as α-Sn. Our DFT + DMFT results indicate that α-Sn is an ideal testing ground to explore electric field-driven orbital selectivity and Mott memory behavior, all arising from the close proximity of α-Sn to metal insulator transitions. We discuss the relevance of orbital phase changes for α-Sn in the context of the current–voltage (IV) characteristic for future silicon-based metal semiconductor atomristors. Full article
(This article belongs to the Section Condensed Matter Theory)
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12 pages, 611 KB  
Article
Descriptive Study of Oral Health in an Indigenous Child Population of Baka Pygmies in Cameroon
by Nicias Afoumpam Poni, David Ribas-Pérez, Javier Flores-Fraile, Paloma Villalva Hernández-Franch, Diego Rodríguez-Menacho and Antonio Castaño-Séiquer
Dent. J. 2023, 11(10), 237; https://doi.org/10.3390/dj11100237 - 12 Oct 2023
Cited by 1 | Viewed by 3304
Abstract
Indigenous populations around the world experience a disproportionate burden of oral diseases and health conditions. These inequalities are likely due to a complex web of socioeconomic, cultural, and health determinants. The Baka pygmies of southern Cameroon find themselves in this context of an [...] Read more.
Indigenous populations around the world experience a disproportionate burden of oral diseases and health conditions. These inequalities are likely due to a complex web of socioeconomic, cultural, and health determinants. The Baka pygmies of southern Cameroon find themselves in this context of an indigenous population with health inequities. The purpose of this study was to describe the oral health status, diet, hygiene habits, and access to health services of the Baka pygmy children, from which different care needs will emerge in order to develop health strategies. A descriptive cross-sectional study was conducted in 22 Baka pygmy camps randomly selected. The study population consisted of children aged 5–6 years and 11–12 years chosen by a consecutive sampling technique. The examination was performed using a data sheet based on World Health Organization (WHO) criteria and recommendations which consisted of an oral health questionnaire for children and an oral health assessment form for children. A total of 120 children participated in the study. Extraoral examination of the study population revealed the presence of noma (1%) in the age range of 5–6 years. A total of 2713 teeth were examined, and the DMFT/dft index of the sample was 0.71 with a predominant caries component. The periodontal status showed 87% bleeding on probing. Seven percent of the sample presented a need for immediate urgent treatment due to pain and/or infection. Eighty-seven percent of the sample reported never having been examined by a dentist. The examination and oral care they received was only from nongovernmental organizations (NGOs). The conclusion of this descriptive study is that the precarious oral health situation of pygmy children combined with the absence of care services in general for the Baka pygmies generate a situation of great vulnerability. Full article
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12 pages, 657 KB  
Article
Epidemiological Study of Oral Health among Children and Adolescent Schoolchildren in Melilla (Spain)
by Marta Hernandez-Donadeu, David Ribas-Pérez, Diego Rodriguez Menacho, Paloma Villalva Hernandez-Franch, Ignacio Barbero Navarro and Antonio Castaño-Séiquer
Healthcare 2023, 11(14), 2086; https://doi.org/10.3390/healthcare11142086 - 21 Jul 2023
Cited by 3 | Viewed by 2137
Abstract
Dental epidemiological studies are essential for analysing and evaluating the population’s health state and dental treatments provided, as well as for planning future oral health programme activities and interventions based on their findings. In order to determine the health condition of children and [...] Read more.
Dental epidemiological studies are essential for analysing and evaluating the population’s health state and dental treatments provided, as well as for planning future oral health programme activities and interventions based on their findings. In order to determine the health condition of children and adolescents in connection to the prevalence of caries, caries indices (decayed and filled teeth (dft) for primary teeth and decayed, missing and filled teeth (DMFT) in permanent teeth) and periodontal indices (community periodontal index (CPI)), oral exams of children and adolescents aged 6, 12 and 15 from selected schools were conducted. To assess the achievement of the oral health objectives set for Spain in 2020, these data were compared with those acquired at the national level. At 6 years of age, 278 children were examined, the prevalence of caries was 55.6%, the dft index was 2.77 (±3.44), the DMFT was 0.19 (±0.16), the restorative index (RI) was 4.62%, and the significant caries (SiC) index was 8.40 (±2.07). At 12 years of age, 208 students were examined, the prevalence of caries found was 65.86%, the DMFT index was 1.85 (±2.22), the RI was 36.63%, the SiC index was 5.43 (±2.07), and children without the presence of periodontal pathology was 59.13%. At 15 years of age, 165 students were examined, the prevalence of caries was 70.06%, the DMFT was 3.08 (±3.39), the RI was 42.42%, the SiC index was 8.10 (±2.55), and adolescents without periodontal disease was 47.90%. Conclusions: Melilla-born children and adolescents had higher caries indicators and indices than the corresponding national averages for Spain. Teenagers under the age of 15 have a particularly high frequency of dental caries. The investigation of the children’s origin is where there is the most disparity. Children of Berber descent have much higher values than children of European heritage. Full article
(This article belongs to the Special Issue Oral Health Status of Children and Adolescents)
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12 pages, 813 KB  
Article
Cross-Sectional Study on Oral Health-Related Quality of Life Using OHIP-14 in Migrants Children in Melilla (Spain)
by David Ribas-Pérez, David Sevillano Garcés, Diego Rodriguez Menacho, Paloma Villalva Hernandez-Franch, Ignacio Barbero Navarro and Antonio Castaño Séiquer
Children 2023, 10(7), 1168; https://doi.org/10.3390/children10071168 - 5 Jul 2023
Cited by 10 | Viewed by 4506
Abstract
Quality of life is a parameter that not only evaluates clinical parameters, but also refers to the perception of the individual in his or her sociocultural context. It also refers to psychosocial aspects that have a very important impact on people’s lives. Oral [...] Read more.
Quality of life is a parameter that not only evaluates clinical parameters, but also refers to the perception of the individual in his or her sociocultural context. It also refers to psychosocial aspects that have a very important impact on people’s lives. Oral health-related quality of life (OHRQoL) must also be considered when assessing oral health in any population for which an oral health program is to be developed. On this premise, and taking into account the precarious situation of refugee children housed in the Temporary Center for Migrants (CETI) in Melilla (Spain), a study was conducted to assess the oral health and OHRQoL of the children housed in the aforementioned facility. For this purpose, the 120 children in care at the time of the study underwent a basic epidemiological examination according to the recommendations of the World Health Organization (WHO), and their OHRQoL was assessed using the specific OHIP-14 questionnaire. The results show a state of oral health with a high caries prevalence (95%), high DMFT, and dft indices for the studied population. The oral health-related quality of life perceived by these children shows that pain and psychological discomfort are the areas rated worst by them. Thus, it is concluded that it is important to implement specific oral health programs for this population, based on caries prevention and pain management, which must also take into account the psychological and sociocultural aspects that have accompanied their lives. Full article
(This article belongs to the Topic Children’s Diseases, Family Management, and Quality of Life)
(This article belongs to the Section Pediatric Dentistry & Oral Medicine)
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11 pages, 374 KB  
Article
Analysis and Evaluation of Dental Caries in a Mexican Population: A Descriptive Transversal Study
by Alejandro Moreno-Barrera, Pedro Morales-Ruiz, David Ribas Pérez, Javier Flores-Fraile and Antonio Castaño-Seiquer
Int. J. Environ. Res. Public Health 2023, 20(5), 3873; https://doi.org/10.3390/ijerph20053873 - 22 Feb 2023
Cited by 6 | Viewed by 4397
Abstract
Oral diseases are an important public health problem owing to their high prevalence and strong impact on people, particularly in disadvantaged populations. There is a strong relationship between the socioeconomic situation and the prevalence and severity of these diseases. Mexico is among the [...] Read more.
Oral diseases are an important public health problem owing to their high prevalence and strong impact on people, particularly in disadvantaged populations. There is a strong relationship between the socioeconomic situation and the prevalence and severity of these diseases. Mexico is among the countries with a higher frequency range in oral diseases, highlighting dental caries, which affect more than 90% of the Mexican population. Materials and method: A cross-sectional, descriptive, and observational study was carried out in 552 individuals who underwent a complete cariogenic clinical examination in different populations of the state of Yucatan. All individuals were evaluated after providing informed consent and with the consent of their legal guardians for those under legal age. We used the caries measurement methods described by the World Health Organization (WHO). Prevalence of caries, DMFT, and dft indexes were measured. Other aspects were also studied, such as oral habits and the use of public or private dental services. Results: The prevalence of caries in permanent dentition was 84%. Moreover, it was found to be statistically related to the following variables: place of residence, socioeconomic level, gender, and level of education (p < 0.05). For primary teeth, the prevalence was 64% and there was no statistical relation with any of the variables studied (p > 0.05). Regarding the other aspects studied, more than 50% of the sample used private dental services. Conclusions: There is a high need for dental treatment in the population studied. It is necessary to develop prevention and treatment strategies considering the particularities of each population, driving collaborative projects to promote better oral health conditions in disadvantaged populations. Full article
(This article belongs to the Special Issue Dental Public Health: Issues, Challenges and Opportunities)
15 pages, 4788 KB  
Article
New Insights on the Electronic-Structural Interplay in LaPdSb and CePdSb Intermetallic Compounds
by Matthias Josef Gutmann, Gheorghe Lucian Pascut, Kenichi Katoh, Martin von Zimmermann, Keith Refson and Devashibhai Thakarshibhai Adroja
Materials 2022, 15(21), 7678; https://doi.org/10.3390/ma15217678 - 1 Nov 2022
Cited by 1 | Viewed by 2557
Abstract
Multifunctional physical properties are usually a consequence of a rich electronic-structural interplay. To advance our understanding in this direction, we reinvestigate the structural properties of the LaPdSb and CePdSb intermetallic compounds using single-crystal neutron and X-ray diffraction. We establish that both compounds can [...] Read more.
Multifunctional physical properties are usually a consequence of a rich electronic-structural interplay. To advance our understanding in this direction, we reinvestigate the structural properties of the LaPdSb and CePdSb intermetallic compounds using single-crystal neutron and X-ray diffraction. We establish that both compounds can be described by the non-centrosymmetric space group P63mc, where the Pd/Sb planes are puckered and show ionic order rather than ionic disorder as was previously proposed. In particular, at 300 K, the (h, k, 10)-layer contains diffuse scattering features consistent with the Pd/Sb puckered layers. The experimental results are further rationalized within the framework of DFT and DFT+ embedded DMFT methods, which confirm that a puckered structure is energetically more favorable. We also find strong correspondence between puckering strength and band topology. Namely, strong puckering removes the bands and, consequently, the Fermi surface pockets at the M point. In addition, the Pd-d band character is reduced with puckering strength. Thus, these calculations provide further insights into the microscopic origin of the puckering, especially the correspondence between the band’s character, Fermi surfaces, and the strength of the puckering. Full article
(This article belongs to the Section Metals and Alloys)
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15 pages, 339 KB  
Article
Oral Health of Children from the SOS Children’s Village in Croatia
by Zrinka Ivanisevic, Zvonimir Uzarevic, Stjepanka Lesic, Aleksandar Vcev and Marko Matijevic
Int. J. Environ. Res. Public Health 2021, 18(2), 616; https://doi.org/10.3390/ijerph18020616 - 13 Jan 2021
Cited by 4 | Viewed by 3068
Abstract
The aim of this study was to determine the values of DMFT/DMFS and dft/dfs in the examined groups of children and the assessment of the mothers of the examined groups of children related to the oral health of their children. The research included [...] Read more.
The aim of this study was to determine the values of DMFT/DMFS and dft/dfs in the examined groups of children and the assessment of the mothers of the examined groups of children related to the oral health of their children. The research included children from the SOS Children’s Village in Croatia as well as children from biological families from rural and urban areas. The children were examined by the visual–tactile method according to the standardized World Health Organization criteria. dft/DMFT and dfs/DMFS indices were calculated. An analysis of completed questionnaires was made. The children from the SOS Children’s Village demonstrated the lowest mean values of the dft/dfs (2.42/3.31) and DMFT/DMFS (1.61/2.23) indices compared to children from rural and urban areas. The Kruskal–Wallis test showed a significant difference (p = 0.01) in SiC index values between the examined children. In the groups of children from the SOS Children’s Village and from the rural area compared to the children from the urban area, oral hygiene was singled out as the most important factor in the analysis of the main components. An equally significant factor for all the respondents is the assessment of oral health and eating habits. The least significant factor for the group of children from the SOS Children’s Village is socio-economic status, which is the most significant for the children from the urban area. The children from the SOS Children’s village have the lowest dft/DMFT, dfs/DMFS, and SiC indices. The most important factor influencing oral health in the group of children from the SOS Children’s Village that stands out is oral hygiene, and the least important is the socio-economic status. The assessment of oral health by the SOS mothers does not differ from the assessment of biological mothers of children from rural and urban areas. Full article
11 pages, 485 KB  
Article
Caries Prevalence Evolution and Risk Factors among Schoolchildren and Adolescents from Valencia (Spain): Trends 1998–2018
by Teresa Almerich-Torres, José María Montiel-Company, Carlos Bellot-Arcís, José Enrique Iranzo-Cortés, José Carmelo Ortolá-Siscar and José Manuel Almerich-Silla
Int. J. Environ. Res. Public Health 2020, 17(18), 6561; https://doi.org/10.3390/ijerph17186561 - 9 Sep 2020
Cited by 21 | Viewed by 3954
Abstract
The aim of this study was to determine the caries status and risk factors in the schoolchildren of Spain’s Valencia region in 2018 and to compare them to the 20-year evolution of caries indicators in the region. A cross-sectional survey was conducted with [...] Read more.
The aim of this study was to determine the caries status and risk factors in the schoolchildren of Spain’s Valencia region in 2018 and to compare them to the 20-year evolution of caries indicators in the region. A cross-sectional survey was conducted with 1722 children and adolescents aged between 6 and 15 using cluster sampling. Caries status, using International Caries Detection and Assessment System II (ICDAS II) criteria, and sociodemographic variables were recorded. To ensure the comparison with previous studies using WHO caries criteria, the cut-off point was established at ICDAS II code 4. Caries prevalence was found to be 37.4% and the decayed and filled teeth index (dft) was 1.23 at 6 years for deciduous dentition (DD). In permanent dentition (PD) at 12 years, caries prevalence was 30.1% with a 0.66 decayed, missing and filled teeth index (DMFT), and at 15 years, prevalence was 44.6% and DMFT was 1.21. Socioeconomic status poses a major risk factor for caries prevalence in deciduous dentition; it is 1.8 times higher in the lowest socioeconomic group. Deciduous dentition status has worsened in the most recent eight-year period, whereas in permanent dentition the 12- and 15-year values are similar to those of the 2010 survey. Evolution analysis suggests that community dental care programs be enhanced, involving preventive activities staring at the first year and targeting disadvantaged groups. Full article
(This article belongs to the Section Health Behavior, Chronic Disease and Health Promotion)
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10 pages, 1706 KB  
Article
Influence of Molecular Orbitals on Magnetic Properties of FeO2Hx
by Alexey O. Shorikov, Sergey L. Skornyakov, Vladimir I. Anisimov, Sergey V. Streltsov and Alexander I. Poteryaev
Molecules 2020, 25(9), 2211; https://doi.org/10.3390/molecules25092211 - 8 May 2020
Cited by 6 | Viewed by 3092
Abstract
Recent discoveries of various novel iron oxides and hydrides, which become stable at very high pressure and temperature, are extremely important for geoscience. In this paper, we report the results of an investigation on the electronic structure and magnetic properties of the hydride [...] Read more.
Recent discoveries of various novel iron oxides and hydrides, which become stable at very high pressure and temperature, are extremely important for geoscience. In this paper, we report the results of an investigation on the electronic structure and magnetic properties of the hydride FeO 2 H x , using density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations. An increase in the hydrogen concentration resulted in the destruction of dimeric oxygen pairs and, hence, a specific band structure of FeO 2 with strongly hybridized Fe- t 2 g -O- p z anti-bonding molecular orbitals, which led to a metallic state with the Fe ions at nearly 3+. Increasing the H concentration resulted in effective mass enhancement growth which indicated an increase in the magnetic moment localization. The calculated static momentum-resolved spin susceptibility demonstrated that an incommensurate antiferromagnetic (AFM) order was expected for FeO 2 , whereas strong ferromagnetic (FM) fluctuations were observed for FeO 2 H. Full article
(This article belongs to the Special Issue Spin Crossover (SCO) Research 2020)
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