cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1022203043
title: FLV structural characterization

description: Flavodi-iron proteins (FLV) activity is important to reduce photodamage, but it also creates a futile cycle when electrons from water are donated back to oxygen. Furthermore, FLV is potentially competing with carbon fixation for reducing power, and thus, if constitutively active, it would reduce photosynthetic efficiency. To maximize its positive impact on productivity, thus FLV should be active only when needed. Indeed, in organisms that natively express them, FLV acts as an electron acceptor only for a limited time frame, but the molecular mechanism at the base of this regulation is unknown. Therefore, responding to how FLV is regulated is essential for understanding its biological role and introducing the protein in crops. Hence, information on 3D protein structure will be precious to identify residues targeted by mutagenesis analysis to generate protein variants with altered regulation by targeting substrate binding sites and conserved Cysteines.
DOI: 10.15151/esrf-es-981402187
title: The study of the combined use of two inorganic mineral treatments on a stone of cultural heritage relevance by micro x-ray diffraction and m

description: This experiment aims at studying for the first time the effects induced by the combination of two inorganic-mineral consolidating treatments on a carbonatic lithotype of high artistic and historical relevance by micro X-ray Diffraction and micro X-Ray Fluorescence. In this research, we will explore the potential of AmOx and DAP treatment on Noto limestone (Val di Noto - Siracusa, UNESCO’s World Heritage List) which is a porous calcareous material composed of calcite in micritic size. The main focus will be obtaining crystal-chemical information on the newly formed phases on pore walls and monitoring their distribution and penetration inside the substate. From these results, we expect to open the path to new conservation strategies and supply crucial indications for the restoration of natural and artificial carbonatic substrates supporting the application of inorganic-mineral treatments on worksites.
DOI: 10.15151/esrf-es-979868049
title: Pair Distribution Function at high pressure sheds light on deep geological processes

description: The study of the evolution of the structure upon pressure is indispensable for the understanding of many geological processes. In particular, the structure of CaF2 and of the other compounds presenting the so-called fluorite type time-averaged structure has been widely investigated by diffraction methods. However, due to the technical difficulties to obtain suitable Pair Distribution Functions (PDF) at high pressure, the role of the local structure in the evolution of these minerals upon compression is still virtually unexplored. With the new EBS of ESRF and the setup available at ID15a, it can be now possible to study these materials with total scattering in situ as a function of the pressure. In this experiment, we will explore the local arrangement of two fluorite-type minerals (CaF2 and BaF2) tracing a link between disordered local structure and the average behavior upon compression.
DOI: 10.15151/esrf-es-978350769
title: Self-assembly of multi-layered polyelectrolyte-surfactant coatings with long-lasting antimicrobial protection

description: We propose an in situ GISAXS experiment study in collaboration with Procter & Gamble UK (the partner of InnovaXN project), the world leading manufacturer in personal care products, to study the spontaneous self-assembly of novel polymer-surfactant multilayer films. Our ultimate goal is to use such complex coatings to provide long-lasting antimicrobial properties for surfaces, without the need for constant sanitization. The design of the system is based on the concept that such longevity in antimicrobial efficacy may be offered by creating a multilayer coating with antimicrobial agents uniformly dispersed through the whole film, which can be released over a sustained period of time. We will study the effect of film composition and external conditions, e.g. humidity, temperature and UV-irradiation, on the multi-layered structure in order to elucidate optimal composition for the sustained antimicrobial surface property.
DOI: 10.15151/esrf-es-1006574191
title: Operando studies of RuIr sputtered OER catalyst.

description: Operando studies of RuIr sputtered OER catalyst.
DOI: 10.15151/esrf-es-975935016
title: Investigating the ultrafast mechanisms of complete and non-reversible photo-induced phase transition in Prussian blue analogues using time-r

description: We propose to investigate ultrafast, complete and non-reversible photo-induced phase transitions by using the "streaming crystallography" methodology developed during our previous beamtime on ID09 (CH-6162). This enables to investigate photo-transformations within the hysteresis, by performing time-resolved X-ray diffraction on continuously-refreshed crystals. First results in Co-doped Mn(III)Fe(II) Prussian Blue Analogues microcrystals revealed full conversion towards the Mn(II)Fe(III) phase after 650 nm excitation, driven by elastic deformations involving cooperative symmetry and volume changes. A deeper analysis of the underlying mechanisms is however necessary, as both phase front propagation and global crystal expansion can intervene. Here we propose to further investigate this point by tuning the excitation wavelength, switching from surface-only to bulk absorption. Additional measurements on PBAs with different Co doping rates will allow modulating the elastic energy cost.
DOI: 10.6084/m9.figshare.21716101.v1
title: ASSOCIATION OF AEROBIC FITNESS AND BODY COMPOSITION IN PEOPLE WITH DOWN SYNDROME

description: ABSTRACT People with Down Syndrome (DS) present metabolic differences when compared to the general population, which ends up at a higher prevalence of overweight and lower rates of aerobic fitness. The aim of this study was analysing the association of aerobic fitness and body composition in individuals with DS. Thirty individuals with DS from the city of Londrina / Brazil with a mean age of 18.00±3.66 years were evaluated. The variables body mass index, body fat, and aerobic fitness (VO²peak) were investigated. Men were taller than women, presented a higher percentage of lean body mass and higher VO²peak, while women showed higher means for android, gynoid and total fat. Aerobic fitness was positively associated with bone mineral density and inversely associated with nutritional status, lean body mass and body fat.
DOI: 10.6084/m9.figshare.21716101
title: ASSOCIATION OF AEROBIC FITNESS AND BODY COMPOSITION IN PEOPLE WITH DOWN SYNDROME

description: ABSTRACT People with Down Syndrome (DS) present metabolic differences when compared to the general population, which ends up at a higher prevalence of overweight and lower rates of aerobic fitness. The aim of this study was analysing the association of aerobic fitness and body composition in individuals with DS. Thirty individuals with DS from the city of Londrina / Brazil with a mean age of 18.00±3.66 years were evaluated. The variables body mass index, body fat, and aerobic fitness (VO²peak) were investigated. Men were taller than women, presented a higher percentage of lean body mass and higher VO²peak, while women showed higher means for android, gynoid and total fat. Aerobic fitness was positively associated with bone mineral density and inversely associated with nutritional status, lean body mass and body fat.
DOI: 10.15151/esrf-es-974857593
title: EXAFS measurements of shocked, porous Cu

description: We combine EXAFS and VISAR measurements of shocked, initially porous Cu. Higher initial porosity leads to higher internal energy in the shocked state due to void collapse and therefore generates increasing temperature with increasing porosity. By varying the initial porosity, it is possible to make multiple Hugoniot measurements along an isochore and thus isolate thermal contributions to the compressed states. We will additionally constrain thermodynamic properties like the isochoric heat capacity. While this powerful technique dates back to the earliest days of dynamic compression, there exist no temperature data of shocked porous samples and almost no temperature data across the entirety of dynamically compressed solids.
DOI: 10.15151/esrf-es-1005328608
title: Nanoimaging of various samples relevant for in-house research projects

description: This is in-house with multiple samples from the field of biology/material science that are part of other experimental sessions at ID16A.
DOI: 10.15151/esrf-es-1019137189
title: Catalysis with metal-organic frameworks

description: Several reactions catalyzed by MOFs will be studied.
DOI: 10.15151/esrf-es-1020368256
title: High pressure and HP-HT behaviour of lizardite and chlorite

description: Layered minerals such as lizardite and chlorite are believed to be possible water-carrier in the deep Earth crust. However, the high-pressure behaviour of layered minerals is still poorly constrained. This is due to several factors, including the layered nature of these minerals that often result in the acquisition of low-quality single crystal data. Because of that, we selected several single crystal of both specimens, collected from renowned outcrops. The main target of this proposal is to investigate the structure evolution and the high-pressure behaviour of lizardite and chlorite in order to better constrain their PT stability range.
DOI: 10.6084/m9.figshare.21716094
title: Parameter estimation for models of chemical reaction networks from experimental data of reaction rates

description: For the purpose of precise mathematical modelling of chemical reaction networks, useful techniques for estimating their parameters from experimental data are necessary. In this manuscript, we propose a new parameter estimation method for enzymatic chemical reaction networks from time-series experimental data of reaction rates. The main idea is based on retrieving time-series data of the species' concentrations from the available experimental data of reaction rates by making use of parametric Bézier curves. The least-squares method is applied to these retrieved data in order to determine the best-fitting values of the parameters in the corresponding mathematical model. Subsequently, we demonstrate the applicability of our parameter estimation method on three examples of enzymatic chemical reaction networks, including a model of ryanodine receptor adaptation and a model of protein kinase cascades. We also address the issue of identifiability of chemical reaction network models from reaction rates.
DOI: 10.6084/m9.figshare.21716094.v1
title: Parameter estimation for models of chemical reaction networks from experimental data of reaction rates

description: For the purpose of precise mathematical modelling of chemical reaction networks, useful techniques for estimating their parameters from experimental data are necessary. In this manuscript, we propose a new parameter estimation method for enzymatic chemical reaction networks from time-series experimental data of reaction rates. The main idea is based on retrieving time-series data of the species' concentrations from the available experimental data of reaction rates by making use of parametric Bézier curves. The least-squares method is applied to these retrieved data in order to determine the best-fitting values of the parameters in the corresponding mathematical model. Subsequently, we demonstrate the applicability of our parameter estimation method on three examples of enzymatic chemical reaction networks, including a model of ryanodine receptor adaptation and a model of protein kinase cascades. We also address the issue of identifiability of chemical reaction network models from reaction rates.
DOI: 10.6084/m9.figshare.21716104
title: COMPARISON BETWEEN DATA PROCESSING FROM GT3X+ ACCELEROMETER FOR VIGOROUS AND MODERATE PHYSICAL ACTIVITY

description: ABSTRACT The use of accelerometers to measure physical activity in epidemiological research presents challenges to increase comparability between studies that use this equipment. In this sense, the objective of this work is to compare time estimates in MVPA for adults from different data processing methods, using the Actigraph GT3X+ accelerometer. This is a cross-sectional study, from the baseline of the pilot study of the Longitudinal Study of the Determinants of Physical Activity. Sample had 31 outsourced employees of both genders, with an average age of 47.05 years (SD=9.35). Participants used GT3X+ model accelerometers for seven consecutive days. The MVPA time estimate was generated using Actilife and R-package GGIR software. Descriptive statistical analyses, ANOVA and Bonferroni post-hoc for comparability were performed in the R software. Bland-Altman analysis was performed in SigmaPlot to assess bias and agreement. There was a significant difference in the mean time of MVPA between count-based data and raw data (p&lt;0.001). The average time in MVPA was shorter from processing by raw data than in counts (-264.81 min/day; p&lt;0.001). Concluding that the findings suggest that there is no statistically equivalence between the methods compared to estimate MVPA time.
DOI: 10.6084/m9.figshare.21716104.v1
title: COMPARISON BETWEEN DATA PROCESSING FROM GT3X+ ACCELEROMETER FOR VIGOROUS AND MODERATE PHYSICAL ACTIVITY

description: ABSTRACT The use of accelerometers to measure physical activity in epidemiological research presents challenges to increase comparability between studies that use this equipment. In this sense, the objective of this work is to compare time estimates in MVPA for adults from different data processing methods, using the Actigraph GT3X+ accelerometer. This is a cross-sectional study, from the baseline of the pilot study of the Longitudinal Study of the Determinants of Physical Activity. Sample had 31 outsourced employees of both genders, with an average age of 47.05 years (SD=9.35). Participants used GT3X+ model accelerometers for seven consecutive days. The MVPA time estimate was generated using Actilife and R-package GGIR software. Descriptive statistical analyses, ANOVA and Bonferroni post-hoc for comparability were performed in the R software. Bland-Altman analysis was performed in SigmaPlot to assess bias and agreement. There was a significant difference in the mean time of MVPA between count-based data and raw data (p&lt;0.001). The average time in MVPA was shorter from processing by raw data than in counts (-264.81 min/day; p&lt;0.001). Concluding that the findings suggest that there is no statistically equivalence between the methods compared to estimate MVPA time.
DOI: 10.6084/m9.figshare.21716102
title: AGE-BASED REPLACEMENT WITH IMPERFECT REPAIR AND RISK AS LOW AS REASONABLY PRACTICABLE

description: ABSTRACT Maintenance policies must consider system reliability and the risk of accidents in systems where equipment failures represent a risk. In this context, this work proposes an age replacement policy with Bayesian imperfect repair and considers the “as low as reasonably practicable” (ALARP) principle. The policy determines the age of replacement that minimizes the long-run cost per unit time when the failure rate is ALARP. The model also supposes that failures are either minimally or perfectly repaired, depending on the skill of the maintainer. Numerical applications are performed with and without the disproportion factor in ALARP, both for infinite and one-replacement-cycle horizons. The results show that considering imperfect repair leads to an increase in replacement costs and a decrease in the optimal replacement age when considering the ALARP principle. The model applies to situations where there are conflicts of interest between maintenance management and risk; that is, cases where the aim is to reduce the cost of replacing equipment and minimize the risks. Maintenance policies must consider system reliability and the risk of accidents in systems where equipment failures represent a risk. In this context, this work proposes an age replacement policy with Bayesian imperfect repair and considers the “as low as reasonably practicable” (ALARP) principle. The policy determines the age of replacement that minimizes the long-run cost per unit time when the failure rate is ALARP. The model also supposes that failures are either minimally or perfectly repaired, depending on the skill of the maintainer. Numerical applications are performed with and without the disproportion factor in ALARP, both for infinite and one-replacement-cycle horizons. The results show that considering imperfect repair leads to an increase in replacement costs and a decrease in the optimal replacement age when considering the ALARP principle. The model applies to situations where there are conflicts of interest between maintenance management and risk; that is, cases where the aim is to reduce the cost of replacing equipment and minimize the risks.
DOI: 10.6084/m9.figshare.21716102.v1
title: AGE-BASED REPLACEMENT WITH IMPERFECT REPAIR AND RISK AS LOW AS REASONABLY PRACTICABLE

description: ABSTRACT Maintenance policies must consider system reliability and the risk of accidents in systems where equipment failures represent a risk. In this context, this work proposes an age replacement policy with Bayesian imperfect repair and considers the “as low as reasonably practicable” (ALARP) principle. The policy determines the age of replacement that minimizes the long-run cost per unit time when the failure rate is ALARP. The model also supposes that failures are either minimally or perfectly repaired, depending on the skill of the maintainer. Numerical applications are performed with and without the disproportion factor in ALARP, both for infinite and one-replacement-cycle horizons. The results show that considering imperfect repair leads to an increase in replacement costs and a decrease in the optimal replacement age when considering the ALARP principle. The model applies to situations where there are conflicts of interest between maintenance management and risk; that is, cases where the aim is to reduce the cost of replacing equipment and minimize the risks. Maintenance policies must consider system reliability and the risk of accidents in systems where equipment failures represent a risk. In this context, this work proposes an age replacement policy with Bayesian imperfect repair and considers the “as low as reasonably practicable” (ALARP) principle. The policy determines the age of replacement that minimizes the long-run cost per unit time when the failure rate is ALARP. The model also supposes that failures are either minimally or perfectly repaired, depending on the skill of the maintainer. Numerical applications are performed with and without the disproportion factor in ALARP, both for infinite and one-replacement-cycle horizons. The results show that considering imperfect repair leads to an increase in replacement costs and a decrease in the optimal replacement age when considering the ALARP principle. The model applies to situations where there are conflicts of interest between maintenance management and risk; that is, cases where the aim is to reduce the cost of replacing equipment and minimize the risks.
DOI: 10.6084/m9.figshare.21716107
title: Transformations in the Ownership Structure of Credit Unions: Banking Service Rates and the Expectations of Members and Directors

description: ABSTRACT Open membership and mergers are common transformations in the ownership structure in Brazilian credit unions. Following the logic that they are motivated by the expectations of members and directors, this study associates these transformations with the banking services rates offered by credit unions. We employ ordered and multinomial logit models to investigate whether abnormal positive bank spreads-reflecting rates that could offer few advantages to members and large private benefits to directors-increase the probability of transformation. Our results indicate that the expectations of members and directors explain credit unions’ transformation, as seen in size and performance. The evidence reinforces that, under expectations of gains, members and directors play an active role in the decision to transform the ownership structure of credit unions, suggesting improvements in the corporate governance and incentives for mergers so that credit unions can grow to benefit members.
DOI: 10.6084/m9.figshare.21716107.v1
title: Transformations in the Ownership Structure of Credit Unions: Banking Service Rates and the Expectations of Members and Directors

description: ABSTRACT Open membership and mergers are common transformations in the ownership structure in Brazilian credit unions. Following the logic that they are motivated by the expectations of members and directors, this study associates these transformations with the banking services rates offered by credit unions. We employ ordered and multinomial logit models to investigate whether abnormal positive bank spreads-reflecting rates that could offer few advantages to members and large private benefits to directors-increase the probability of transformation. Our results indicate that the expectations of members and directors explain credit unions’ transformation, as seen in size and performance. The evidence reinforces that, under expectations of gains, members and directors play an active role in the decision to transform the ownership structure of credit unions, suggesting improvements in the corporate governance and incentives for mergers so that credit unions can grow to benefit members.
DOI: 10.6084/m9.figshare.21716108
title: PERCEPTIONS AND BENEFITS OF STATIC AND DYNAMIC STRETCHING IN DANCERS: QUALITATIVE AND QUANTITATIVE ASPECTS

description: ABSTRACT The present study investigated the beneficial effects induced on dancers by the two types of stretching protocol: static and dynamic stretching, in order to elevate the aesthetics of the figures and body positions to the highest level. The subjects were 20 young female dancers divided into two groups: Group DS (n=10), which performed dynamic stretching, and Group SS (n=10), a static stretching, both for six months. A survey, with the aim of assessing perceptions about the benefits induced by the type of stretching performed, and a Sit and Reach Test were administered to the dancers to assess both qualitative and quantitative aspects of flexibility. An independent samples t-test was performed to assess the differences in flexibility between DS and SS group before and after six months, and a Fisher's exact test to analyse their perceptions on the benefits induced by two training protocols. Result was statistically significant after six months and four associations were found (P &lt;0.05). Dynamic stretching brought greater benefits both qualitatively and quantitatively. From the results of the study, it was possible to state that dancers in terms of induced benefits and satisfaction with the performance result achieved, preferred dynamic stretching.