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  1. Article: Analysis of S-Adenosylmethionine and S-Adenosylhomocysteine: Method Optimisation and Profiling in Healthy Adults upon Short-Term Dietary Intervention.

    Bravo, Aida Corrillero / Aguilera, Maria Nieves Ligero / Marziali, Nahuel R / Moritz, Lennart / Wingert, Victoria / Klotz, Katharina / Schumann, Anke / Grünert, Sarah C / Spiekerkoetter, Ute / Berger, Urs / Lederer, Ann-Kathrin / Huber, Roman / Hannibal, Luciana

    Metabolites

    2022  Volume 12, Issue 5

    Abstract: S-adenosylmethionine (SAM) is essential for methyl transfer reactions. All SAM is produced de novo ... via the methionine cycle. The demethylation of SAM produces S-adenosylhomocysteine (SAH), an inhibitor ...

    Abstract S-adenosylmethionine (SAM) is essential for methyl transfer reactions. All SAM is produced de novo via the methionine cycle. The demethylation of SAM produces S-adenosylhomocysteine (SAH), an inhibitor of methyltransferases and the precursor of homocysteine (Hcy). The measurement of SAM and SAH in plasma has value in the diagnosis of inborn errors of metabolism (IEM) and in research to assess methyl group homeostasis. The determination of SAM and SAH is complicated by the instability of SAM under neutral and alkaline conditions and the naturally low concentration of both SAM and SAH in plasma (nM range). Herein, we describe an optimised LC-MS/MS method for the determination of SAM and SAH in plasma, urine, and cells. The method is based on isotopic dilution and employs 20 µL of plasma or urine, or 500,000 cells, and has an instrumental running time of 5 min. The reference ranges for plasma SAM and SAH in a cohort of 33 healthy individuals (age: 19-60 years old; mean ± 2 SD) were 120 ± 36 nM and 21.5 ± 6.5 nM, respectively, in accordance with independent studies and diagnostic determinations. The method detected abnormal concentrations of SAM and SAH in patients with inborn errors of methyl group metabolism. Plasma and urinary SAM and SAH concentrations were determined for the first time in a randomised controlled trial of 53 healthy adult omnivores (age: 18-60 years old), before and after a 4 week intervention with a vegan or meat-rich diet, and revealed preserved variations of both metabolites and the SAM/SAH index.
    Language English
    Publishing date 2022-04-20
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2662251-8
    ISSN 2218-1989
    ISSN 2218-1989
    DOI 10.3390/metabo12050373
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Deletion of S-Layer Associated Ig-Like Domain Protein Disrupts the

    Klotz, Courtney / Goh, Yong Jun / O'Flaherty, Sarah / Johnson, Brant / Barrangou, Rodolphe

    Frontiers in microbiology

    2020  Volume 11, Page(s) 345

    Abstract: Bacterial surface-layers (S-layers) are crystalline arrays of repeating proteinaceous subunits ... that coat the exterior of many cell envelopes. S-layers have demonstrated diverse functions in growth and ... survival, maintenance of cell integrity, and mediation of host interactions. Additionally, S-layers can act ...

    Abstract Bacterial surface-layers (S-layers) are crystalline arrays of repeating proteinaceous subunits that coat the exterior of many cell envelopes. S-layers have demonstrated diverse functions in growth and survival, maintenance of cell integrity, and mediation of host interactions. Additionally, S-layers can act as scaffolds for the outward display of auxiliary proteins and glycoproteins. These non-covalently bound S-layer associated proteins (SLAPs) have characterized roles in cell division, adherence to intestinal cells, and modulation of the host immune response. Recently, IgdA (LBA0695), a
    Language English
    Publishing date 2020-03-17
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2587354-4
    ISSN 1664-302X
    ISSN 1664-302X
    DOI 10.3389/fmicb.2020.00345
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: COVID-19 Vaccine Uptake among U.S. Child Care Providers

    Patel, Kavin / Malik, Amyn A. / Lee, Aiden / Klotz, Madeline / Humphries, John Eric / Murray, Thomas / Wilkinson, David / Shafiq, Mehr / Yildirim, Inci / Elharake, Jad / Diaz, Rachel / Reyes, Chin / Omer, Saad / Gilliam, Walter

    medRxiv

    Abstract: Objectives: Ensuring a high COVID-19 vaccine uptake among U.S. child care providers is crucial ... however, the vaccination rate among this group is unknown. Methods: To characterize the vaccine uptake among U.S ... Overall COVID-19 vaccine uptake among U.S. child care providers (78.1%, 95% CI [77.3% to 78.9%]) was ...

    Abstract Objectives: Ensuring a high COVID-19 vaccine uptake among U.S. child care providers is crucial to mitigating the public health implications of child-to-staff and staff-to-child transmission of SARS-CoV-2; however, the vaccination rate among this group is unknown. Methods: To characterize the vaccine uptake among U.S. child care providers, we conducted a cross-sectional survey of the child care workforce. Providers were identified through various national databases and state registries. A link to the survey was sent via email between May 26 and June 23, 2021. Out of 44,771 potential respondents, 21,663 responded (48.4%). Results: Overall COVID-19 vaccine uptake among U.S. child care providers (78.1%, 95% CI [77.3% to 78.9%]) was higher than that of the U.S. adult population (65%). Vaccination rates varied from 53.5% to 89.4% between states. Vaccine uptake differed significantly (p < .01) based on respondent age (70.0% for ages 25-34, 91.5% for ages 75-84), race (70.0% for Black or African Americans, 92.5% for Asian-Americans), annual household income (70.7% for <$35,000, 85.0% for>$75,000), and childcare setting (72.9% for home-based, 79.7% for center- based). Conclusions: COVID-19 vaccine uptake among U.S. child care providers was higher than that of the general U.S. adult population. Those who were younger, lower income, Black or African American, resided in states either in the Mountain West or the South, and/or worked in home- based childcare programs reported the lowest rates of vaccination; state public health leaders and lawmakers should prioritize these subgroups for placement on the policy agenda to realize the largest gains in vaccine uptake among providers.
    Keywords covid19
    Language English
    Publishing date 2021-08-01
    Publisher Cold Spring Harbor Laboratory Press
    Document type Article ; Online
    DOI 10.1101/2021.07.30.21261383
    Database COVID19

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  4. Article ; Online: Relationship between the use of nonpharmaceutical interventions and COVID-19 vaccination among U.S. child care providers: A prospective cohort study.

    Patel, Kavin M / Shafiq, Mehr / Malik, Amyn A / Cobanoglu, Ayse / Klotz, Madeline / Eric Humphries, John / Lee, Aiden / Murray, Thomas / Wilkinson, David / Yildirim, Inci / Elharake, Jad A / Diaz, Rachel / Rojas, Rosalia / Kuperwajs Cohen, Anael / Omer, Saad B / Gilliam, Walter S

    Vaccine

    2022  Volume 40, Issue 31, Page(s) 4098–4104

    Abstract: ... vaccination among U.S. child care providers remains unknown. If unvaccinated child care providers are also ... between the use of nonpharmaceutical interventions and COVID-19 vaccination among U.S. child care ...

    Abstract Background: The relationship between the use of nonpharmaceutical interventions and COVID-19 vaccination among U.S. child care providers remains unknown. If unvaccinated child care providers are also less likely to employ nonpharmaceutical interventions, then a vaccine mandate across child care programs may have larger health and safety benefits.
    Methods: To assess and quantify the relationship between the use of nonpharmaceutical interventions and COVID-19 vaccination among U.S. child care providers, we conducted a prospective cohort study of child care providers (N = 20,013) from all 50 states, the District of Columbia, and Puerto Rico. Child care providers were asked to complete a self-administered email survey in May-June 2020 assessing the use of nonpharmaceutical interventions (predictors) and a follow-up survey in May-June 2021 assessing COVID-19 vaccination (outcome). Nonpharmaceutical interventions were dichotomized as personal mitigation measures (e.g., masking, social distancing, handwashing) and classroom mitigation measures (e.g., temperature checks of staff/children, symptom screening for staff/children, cohorting).
    Results: For each unendorsed personal mitigation measure during 2020, the likelihood of vaccination in 2021 decreased by 7% (Risk Ratio = 0.93 [95% CI 0.93 - 0.95]). No significant association was found between classroom mitigation measures and child care provider vaccination (Risk Ratio = 1.01 [95% CI 1.00-1.01]).
    Conclusions: Child care providers who used fewer personal mitigation measures were also less likely to get vaccinated for COVID-19 as an alternative form of protection. The combined nonadherence to multiple types of preventative health behaviors, that is, both nonpharmaceutical interventions and vaccination, among some child care providers may support a role for mandatory vaccination to achieve pandemic control.
    MeSH term(s) COVID-19/prevention & control ; COVID-19 Vaccines ; Child ; Child Care ; Humans ; Prospective Studies ; Vaccination
    Chemical Substances COVID-19 Vaccines
    Language English
    Publishing date 2022-05-27
    Publishing country Netherlands
    Document type Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
    ZDB-ID 605674-x
    ISSN 1873-2518 ; 0264-410X
    ISSN (online) 1873-2518
    ISSN 0264-410X
    DOI 10.1016/j.vaccine.2022.05.064
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: S-layer associated proteins contribute to the adhesive and immunomodulatory properties of Lactobacillus acidophilus NCFM.

    Klotz, Courtney / Goh, Yong Jun / O'Flaherty, Sarah / Barrangou, Rodolphe

    BMC microbiology

    2020  Volume 20, Issue 1, Page(s) 248

    Abstract: Background: Surface layers (S-layers) are two-dimensional crystalline arrays of repeating ... genus, S-layer presence is frequently associated with probiotic-relevant properties such as improved ... demonstrated that certain S-layer functions may be supplemented by a novel subset of proteins embedded ...

    Abstract Background: Surface layers (S-layers) are two-dimensional crystalline arrays of repeating proteinaceous subunits that form the outermost layer of many bacterial cell envelopes. Within the Lactobacillus genus, S-layer presence is frequently associated with probiotic-relevant properties such as improved adherence to host epithelial cells and modulation of the immune response. However, recent studies have demonstrated that certain S-layer functions may be supplemented by a novel subset of proteins embedded within its lattice, termed S-layer associated proteins (SLAPs). In the following study, four Lactobacillus acidophilus NCFM SLAPs (LBA0046, LBA0864, LBA1426, and LBA1539) were selected for in silico and phenotypic assessment.
    Results: Despite lacking any sequence similarity or catalytic domains that may indicate function, the genes encoding the four proteins of interest were shown to be unique to S-layer-forming, host-adapted lactobacilli species. Likewise, their corresponding deletion mutants exhibited broad, host-relevant phenotypes including decreased inflammatory profiles and reduced adherence to Caco-2 intestinal cells, extracellular matrices, and mucin in vitro.
    Conclusions: Overall, the data presented in this study collectively links several previously uncharacterized extracellular proteins to roles in the underlying host adaptive mechanisms of L. acidophilus.
    Language English
    Publishing date 2020-08-12
    Publishing country England
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ISSN 1471-2180
    ISSN (online) 1471-2180
    DOI 10.1186/s12866-020-01908-2
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Prevalence of Chronic Diseases, Depression, and Stress among U.S. Child Care Professionals during the COVID-19 Pandemic

    Elharake, Jad A / Shafiq, Mehr / Cobanoglu, Ayse / Malik, Amyn A / Klotz, Madeline / Humphries, John Eric / Murray, Thomas S / Patel, Kavin A / Wilkinson, David / Yildirim, Inci / Diaz, Rachel / Rojas, Rosalia / Cohen, Anael Kuperwajs / Lee, Aiden / Reyes, Chin / Omer, Saad B / Gilliam, Walter S

    medRxiv

    Abstract: ... among U.S. child care professionals. Design: In this large-scale national survey, data were collected ... child care. Participants: Child care professionals (n = 81,682) from all U.S. states and the District ... stress and asthma rates were higher than U.S. adult depression rates during the pandemic ...

    Abstract Importance: There is no published national research reporting child care professionals9 physical health, depression, or stress during the COVID-19 pandemic. Given their central role in supporting children9s development, child care professionals9 overall physical and mental health is important. Objectives: To evaluate the prevalence of chronic diseases, depression, and stress levels during the COVID-19 pandemic among U.S. child care professionals. Design: In this large-scale national survey, data were collected through an online survey from May 22, 2020 to June 8, 2020. We analyzed the association of sociodemographic characteristics with four physical health conditions (asthma, heart disease, diabetes, and obesity), depression, and stress weighted to national representativeness. Sociodemographic characteristics included race, ethnicity, age, gender, medical insurance status, and child care type. Setting: Center- and home-based child care. Participants: Child care professionals (n = 81,682) from all U.S. states and the District of Columbia. Results: Mean age was 42.1 years (standard deviation = 14.1); 96.0% (n = 78,725) were female, 2.5% (n = 2,033) were male, and 0.3% (n = 225) were non-binary. For physical health conditions, 14.3% (n = 11,717) reported moderate to severe asthma, 6.5% (n = 5,317) diabetes, 4.9% (n = 3,971) heart disease, and 19.8% (n = 16,207) being obese. Regarding mental health, 45.7% (n = 37,376) screened positive for depression and 66.5% (n = 54,381) reported moderate to high stress levels. Race, ethnicity, and gender disparities were evidenced for physical health conditions of child care professionals, but not for mental health during the pandemic. Conclusions and Relevance: Our findings highlight that child care professionals9 depression rates during the pandemic were much higher than before the pandemic, and depression, stress and asthma rates were higher than U.S. adult depression rates during the pandemic. Given the essential work child care professionals provide during the pandemic, policy makers and public health officials should consider what can be done to support the physical and mental health of child care professionals.
    Keywords covid19
    Language English
    Publishing date 2022-03-02
    Publisher Cold Spring Harbor Laboratory Press
    Document type Article ; Online
    DOI 10.1101/2022.03.01.22271717
    Database COVID19

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  7. Article: Synthesis and characterisation of a new graphitic C–S compound obtained by high pressure decomposition of CS2

    Klotz, S. / Baptiste, B. / Hattori, T. / Feng, S.M. / Jin, Ch / Béneut, K. / Guigner, J.M. / Estève, I.

    Carbon. 2021 Nov. 15, v. 185

    2021  

    Abstract: Carbon disulphide (CS₂) is, together with its closest analogue CO₂, one of the simplest molecular systems made of double covalent bonds. Under high pressure, the molecular structure is expected to break up to form extended crystalline or polymeric solids. ...

    Abstract Carbon disulphide (CS₂) is, together with its closest analogue CO₂, one of the simplest molecular systems made of double covalent bonds. Under high pressure, the molecular structure is expected to break up to form extended crystalline or polymeric solids. Here we show that by compression at 300 K to ∼10 GPa (100 kbar) using large-volume high pressure techniques, a sudden reaction leads to a mixture of pure sulphur and a well-defined compound with stoichiometry close to C₂S which can be recovered to ambient pressure. We present neutron and x-ray diffraction as well as Raman data which show that this material consists of sulphur bonded to sp² graphite layers of nanometric dimensions. The compound is a semiconductor with a gap of 45 meV, as revealed by temperature dependent resistivity measurements, and annealing at temperatures above 200 °C allows to reduce its sulphur content up to C₁₀S. Its structural and electronic properties are fundamentally different to “Bridgman black” reported from previous high pressure experiments on CS₂.
    Keywords Raman spectroscopy ; X-ray diffraction ; ambient pressure ; carbon dioxide ; carbon disulfide ; chemical structure ; graphene ; neutrons ; polymers ; semiconductors ; stoichiometry ; sulfur ; temperature
    Language English
    Dates of publication 2021-1115
    Size p. 491-500.
    Publishing place Elsevier Ltd
    Document type Article
    ISSN 0008-6223
    DOI 10.1016/j.carbon.2021.09.048
    Database NAL-Catalogue (AGRICOLA)

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  8. Article: Relationship between the use of nonpharmaceutical interventions and COVID-19 vaccination among U.S. child care providers: A prospective cohort study

    Patel, Kavin M. / Shafiq, Mehr / Malik, Amyn A. / Cobanoglu, Ayse / Klotz, Madeline / Eric Humphries, John / Lee, Aiden / Murray, Thomas / Wilkinson, David / Yildirim, Inci / Elharake, Jad A. / Diaz, Rachel / Rojas, Rosalia / Kuperwajs Cohen, Anael / Omer, Saad B. / Gilliam, Walter S.

    Vaccine. 2022 July 29, v. 40, no. 31

    2022  

    Abstract: ... among U.S. child care providers remains unknown. If unvaccinated child care providers are also less likely ... interventions and COVID-19 vaccination among U.S. child care providers, we conducted a prospective cohort study ...

    Abstract The relationship between the use of nonpharmaceutical interventions and COVID-19 vaccination among U.S. child care providers remains unknown. If unvaccinated child care providers are also less likely to employ nonpharmaceutical interventions, then a vaccine mandate across child care programs may have larger health and safety benefits. To assess and quantify the relationship between the use of nonpharmaceutical interventions and COVID-19 vaccination among U.S. child care providers, we conducted a prospective cohort study of child care providers (N = 20,013) from all 50 states, the District of Columbia, and Puerto Rico. Child care providers were asked to complete a self-administered email survey in May-June 2020 assessing the use of nonpharmaceutical interventions (predictors) and a follow-up survey in May-June 2021 assessing COVID-19 vaccination (outcome). Nonpharmaceutical interventions were dichotomized as personal mitigation measures (e.g., masking, social distancing, handwashing) and classroom mitigation measures (e.g., temperature checks of staff/children, symptom screening for staff/children, cohorting). For each unendorsed personal mitigation measure during 2020, the likelihood of vaccination in 2021 decreased by 7% (Risk Ratio = 0.93 [95% CI 0.93 – 0.95]). No significant association was found between classroom mitigation measures and child care provider vaccination (Risk Ratio = 1.01 [95% CI 1.00–1.01]). Child care providers who used fewer personal mitigation measures were also less likely to get vaccinated for COVID-19 as an alternative form of protection. The combined nonadherence to multiple types of preventative health behaviors, that is, both nonpharmaceutical interventions and vaccination, among some child care providers may support a role for mandatory vaccination to achieve pandemic control.
    Keywords COVID-19 infection ; child care ; child care providers ; cohort studies ; e-mail ; hand washing ; pandemic ; relative risk ; temperature ; vaccination ; vaccines ; District of Columbia ; Puerto Rico
    Language English
    Dates of publication 2022-0729
    Size p. 4098-4104.
    Publishing place Elsevier Ltd
    Document type Article
    ZDB-ID 605674-x
    ISSN 1873-2518 ; 0264-410X
    ISSN (online) 1873-2518
    ISSN 0264-410X
    DOI 10.1016/j.vaccine.2022.05.064
    Database NAL-Catalogue (AGRICOLA)

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  9. Article ; Online: High-Resolution Crustal S-wave Velocity Model and Moho Geometry Beneath the Southeastern Alps

    Sadeghi-Bagherabadi, Amir / Vuan, Alessandro / Aoudia, Abdelkrim / Parolai, Stefano / Hetényi, György / Abreu, Rafael / Allegretti, Ivo / Apoloner, Maria-Theresia / Aubert, Coralie / Besançon, Simon / Bés de Berc, Maxime / Bokelmann, Götz / Brunel, Didier / Capello, Marco / Čarman, Martina / Cavaliere, Adriano / Chéze, Jérôme / Chiarabba, Claudio / Clinton, John /
    Cougoulat, Glenn / C. Crawford, Wayne / Cristiano, Luigia / Czifra, Tibor / D’Alema, Ezio / Danesi, Stefania / Daniel, Romuald / Dannowski, Anke / Dasović, Iva / Deschamps, Anne / Dessa, Jean-Xavier / Doubre, Cécile / Egdorf, Sven / Fiket, Tomislav / Fischer, Kasper / Friederich, Wolfgang / Fuchs, Florian / Funke, Sigward / Giardini, Domenico / Govoni, Aladino / Gráczer, Zoltán / Gröschl, Gidera / Heimers, Stefan / Heit, Ben / Herak, Davorka / Herak, Marijan / Huber, Johann / Jarić, Dejan / Jedlička, Petr / Jia, Yan / Jund, Hélène / Kissling, Edi / Klingen, Stefan / Klotz, Bernhard / Kolínský, Petr / Kopp, Heidrun / Korn, Michael / Kotek, Josef / Kühne, Lothar / Kuk, Krešo / Lange, Dietrich / Loos, Jürgen / Lovati, Sara / Malengros, Deny / Margheriti, Lucia / Maron, Christophe / Martin, Xavier / Massa, Marco / Mazzarini, Francesco / Meier, Thomas / Métral, Laurent / Molinari, Irene / Moretti, Milena / Nardi, Anna / Pahor, Jurij / Paul, Anne / Péquegnat, Catherine / Petersen, Daniel / Pesaresi, Damiano / Piccinini, Davide / Piromallo, Claudia / Plenefisch, Thomas / Plomerová, Jaroslava / Pondrelli, Silvia / Prevolnik, Snježan / Racine, Roman / Régnier, Marc / Reiss, Miriam / Ritter, Joachim / Rümpker, Georg / Salimbeni, Simone / Santulin, Marco / Scherer, Werner / Schippkus, Sven / Schulte-Kortnack, Detlef / Šipka, Vesna / Solarino, Stefano / Spallarossa, Daniele / Spieker, Kathrin / Stipčević, Josip / Strollo, Angelo / Süle, Bálint / Szanyi, Gyöngyvér / Szűcs, Eszter / Thomas, Christine / Thorwart, Martin / Tilmann, Frederik / Ueding, Stefan / Vallocchia, Massimiliano / Vecsey, Luděk / Voigt, René / Wassermann, Joachim / Wéber, Zoltán / Weidle, Christian / Wesztergom, Viktor / Weyland, Gauthier / Wiemer, Stefan / Wolf, Felix Noah / Wolyniec, David / Zieke, Thomas / Živčić, Mladen / Žlebčíková, Helena / Hein , Gerrit / Bianchi, Irene

    New Insights From the SWATH-D Experiment

    2021  

    Abstract: ... to compute the high-resolution 3D S-wave velocity model of the Southeastern Alps, the western part ... to obtain the empirical Rayleigh wave Green’s functions. The dataset is complemented by adopting 1804 high ... applied to the phase velocity dispersion curves in the 2–30 s period band. The resulting local dispersion ...

    Abstract We compiled a dataset of continuous recordings from the temporary and permanent seismic networks to compute the high-resolution 3D S-wave velocity model of the Southeastern Alps, the western part of the external Dinarides, and the Friuli and Venetian plains through ambient noise tomography. Part of the dataset is recorded by the SWATH-D temporary network and permanent networks in Italy, Austria, Slovenia and Croatia between October 2017 and July 2018. We computed 4050 vertical component cross-correlations to obtain the empirical Rayleigh wave Green’s functions. The dataset is complemented by adopting 1804 high-quality correlograms from other studies. The fast-marching method for 2D surface wave tomography is applied to the phase velocity dispersion curves in the 2–30 s period band. The resulting local dispersion curves are inverted for 1D S-wave velocity profiles using the non-perturbational and perturbational inversion methods. We assembled the 1D S-wave velocity profiles into a pseudo-3D S-wave velocity model from the surface down to 60 km depth. A range of iso-velocities, representing the crystalline basement depth and the crustal thickness, are determined. We found the average depth over the 2.8–3.0 and 4.1–4.3 km/s iso-velocity ranges to be reasonable representations of the crystalline basement and Moho depths, respectively. The basement depth map shows that the shallower crystalline basement beneath the Schio-Vicenza fault highlights the boundary between the deeper Venetian and Friuli plains to the east and the Po-plain to the west. The estimated Moho depth map displays a thickened crust along the boundary between the Friuli plain and the external Dinarides. It also reveals a N-S narrow corridor of crustal thinning to the east of the junction of Giudicarie and Periadriatic lines, which was not reported by other seismic imaging studies. This corridor of shallower Moho is located beneath the surface outcrop of the Permian magmatic rocks and seems to be connected to the continuation of the Permian magmatism ...
    Subject code 550
    Language English
    Publishing date 2021-03-31
    Publisher Frontiers
    Publishing country de
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  10. Book ; Online: Structural phase transition and bandgap control through mechanical deformation in layered semiconductors 1T-ZrX2 (X = S, Se)

    Martino, Edoardo / Santos-Cottin, David / Mardele, Florian Le / Semeniuk, Konstantin / Pizzochero, Michele / Cernevics, Kristians / Baptiste, Benoit / Delbes, Ludovic / Klotz, Stefan / Capitani, Francesco / Berger, Helmuth / Yazyev, Oleg V. / Akrap, Ana

    2020  

    Abstract: Applying elastic deformation can tune a material physical properties locally and reversibly. Spatially modulated lattice deformation can create a bandgap gradient, favouring photo-generated charge separation and collection in optoelectronic devices. ... ...

    Abstract Applying elastic deformation can tune a material physical properties locally and reversibly. Spatially modulated lattice deformation can create a bandgap gradient, favouring photo-generated charge separation and collection in optoelectronic devices. These advantages are hindered by the maximum elastic strain that a material can withstand before breaking. Nanomaterials derived by exfoliating transition metal dichalcogenides TMDs are an ideal playground for elastic deformation, as they can sustain large elastic strains, up to a few percent. However, exfoliable TMDs with highly strain-tunable properties have proven challenging for researchers to identify. We investigated 1T-ZrS2 and 1T-ZrSe2, exfoliable semiconductors with large bandgaps. Under compressive deformation, both TMDs dramatically change their physical properties. 1T-ZrSe2 undergoes a reversible transformation into an exotic three-dimensional lattice, with a semiconductor-to-metal transition. In ZrS2, the irreversible transformation between two different layered structures is accompanied by a sudden 14 % bandgap reduction. These results establish that Zr-based TMDs are an optimal strain-tunable platform for spatially textured bandgaps, with a strong potential for novel optoelectronic devices and light harvesting.
    Keywords Condensed Matter - Materials Science
    Subject code 530
    Publishing date 2020-06-12
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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