Miracle-dz/UniFAR-FTUs huggingface dataset:
Protein Dynamics in Cytochrome b6f Explored by Spectral Hole Burning

Proteins perform vital functions in the living organisms. They need to fold into their final tertiary structure in order to function properly. However, knowing the static tertiary structure of a protein is not enough to understand how it functions since proteins are not rigid bodies. The fact that the proteins go through structural fluctuations has to be taken into account in studying these complex biomolecules. Optical techniques, such as spectral hole burning, can be used in studying the dynamics of proteins. However, most proteins must be doped with dye molecules as probes since most of the proteins do not absorb light in visible region. Pigment-protein complexes involved in photosynthesis are good model systems for studying protein dynamics since the pigment molecules are embedded in these proteins naturally. Understanding the dynamics of proteins involved in photosynthesis and the way they function is important also from the perspective of photosynthesis and renewable energy research. The focus of this seminar is on the low-temperature dynamics and the barrier distributions on the energy landscape of Cytochrome b6f Protein Complex. Qualitatively, the distributions of barriers between protein sub-states involved in the light-induced conformational changes (i.e. - Non-Photochemical Hole Burning (NPHB)) are close to glass-like, and not to Gaussian. Spectral dynamics of Cytochrome b6f manifesting in NPHB experiments appears to be independent of the deuteration of the buffer/glycerol glassy matrix containing the protein. Proton tunneling in the water/glycerol solvent environment can be excluded as the origin of the observed NPHB and recovery dynamics. Entities involved in the light-induced conformational changes are characterized by md^2 = 2.7-3.6 . 10^-46 kg.m^2. Evidence is presented for excitation energy transfer between chlorophyll molecules of the adjacent monomers. The magnitude of the dipole-dipole coupling deduced from the FLN spectra is in good agreement with the structural data, indicating that explored protein was intact.
Hydrothermal synthesis of reduced graphene oxide‐anatase titania nanocomposites for dual application in organic solar cells

Lately, there has been increased interest in the design of graphene‐based hybrid nanomaterials and their application to modify properties of organic solar cells (OSCs). Herein, we demonstrate an efficient route for the successful hydrothermal synthesis of reduced graphene oxide‐anatase titania (RGOT) nanocomposites. Five nanocomposites with different titania concentrations, that is, RGOT‐50, RGOT‐75, RGOT‐86, RGOT‐90, and RGOT‐92, were prepared. The nanocomposite RGOT‐92 with the overall best properties was used to modify both the photoactive layer (P3HT:PCBM:RGOT) and hole transport layer (PEDOT:PSS:RGOT) of an OSC so as to assist in solar energy absorption by way of enhancing optical absorption and creating an efficient charge transport channel. The nanocomposites prepared consist of highly crystalline, spherical, and uniformly shaped TiO2 nanoparticles, with an average particle size of approximately 3.0 nm, deposited on the basal plane of reduced graphene oxide. Also, the nanocomposites show much reduced bandgap energies and low rates of electron‐hole recombination. The incorporation of RGOT in the active layer effectively improved photon absorption, leading to high photoexciton generation. In addition, effective exciton dissociation was energetically favoured in the RGOT‐modified hole transport layer (HTL), which concurs with the observed enhanced conductivity of the medium. Thus, the integration of RGOT in the active layer and HTL remarkably resulted in a high short‐circuit current density (Jsc), low sheet resistance (Rs), and, consequently, improved photovoltaic performance. An enhanced photocurrent was noted, as high as 13 mA cm−2, from the OSCs by inlaying RGOT in the photoactive layer. An increased power conversion efficiency of up to 64% was achieved by the incorporation of RGOT in the photoactive layer. Thus, the utilized hydrothermal synthesis route provided nanocomposites with enhanced photoelectronic properties, with promising applications in nanoelectronic devices.
Impacts of COVID‐19 on global poverty, food security, and diets: Insights from global model scenario analysis

Abstract This study assesses the impact of coronavirus disease 2019 (COVID‐19) on poverty, food insecurity, and diets, accounting for the complex links between the crisis and the incomes and living costs of vulnerable households. Key elements are impacts on labor supply, effects of social distancing, shifts in demand from services involving close contact, increases in the cost of logistics in food and other supply chains, and reductions in savings and investment. These are examined using IFPRI's global general equilibrium model linked to epidemiological and household models. The simulations suggest that the global recession caused by COVID‐19 will be much deeper than that of the 2008–2009 financial crisis. The increases in poverty are concentrated in South Asia and sub‐Saharan Africa with impacts harder in urban areas than in rural. The COVID‐19‐related lockdown measures explain most of the fall in output, whereas declines in savings soften the adverse impacts on food consumption. Almost 150 million people are projected to fall into extreme poverty and food insecurity. Decomposition of the results shows that approaches assuming uniform income shocks would underestimate the impact by as much as one‐third, emphasizing the need for the more refined approach of this study.
A Qualitative Analysis of Translanguaging by Colombian Migrants in North Carolina

This study examines the usefulness of the theoretical construct of translanguaging in analyzing the linguistic production of twenty-four Colombians (originally from Bogotá) residing in the Piedmont Triad region of North Carolina. Translanguaging maintains that bilinguals and multilinguals have a single linguistic repertoire consisting of features traditionally associated with different named languages (English, Spanish, Arabic, Chinese, etc.), and that they freely select from among these features according to their communicative needs in specific contexts. In terms of named languages, participants utilized varying amounts of English during sociolinguistic interviews conducted primarily in Spanish by the investigator. The study presents a qualitative analysis of participants’ linguistic production viewed through the lens of translanguaging, which offers a better account than codeswitching of several patterns of language use observed in the data. These include phonetically ambiguous words, fluid combinations of morphemes from each named language (Spanish and English), and innovative uses of linguistic forms. The study concludes with a consideration of the relevance of translanguaging in addressing the issue of the legitimacy of the (often stigmatized) language varieties of Hispanics in the U.S. context.
Commercial audience retention of television programs: measurement and prediction

Abstract Program audience ratings are typically used as a reference in placing and pricing television advertisements. However, the discrepancy in audience size between a program and its commercials impairs the reliability of the program ratings. This study proposes a new metric, commercial audience retention (CAR), to measure a program’s capability of retaining its audience when a commercial break occurs and develops a model to predict a program’s CAR. The CAR metric and prediction model are tested and validated using a sufficient dataset with consumer TV viewing and program broadcast records for 1 year. We find that some factors that influence program ratings or commercial avoidance have no significant effect or have different effects on CAR. Our empirical results may be of value for advertisers and TV stations in purchasing and pricing of commercial airtime. A real-world application of the CAR metric for an advertising company is offered as an illustration. Supplemental data for this article is available online at https://doi.org/10.1080/02650487.2021. 1906541 .
Are Female CEOs Really More Risk Averse? Examining Economic Downturn and Other-Orientation

Scholars and practitioners have offered anecdotal evidence that firms led by female chief executive officers (CEOs) fare better during global recession, perhaps because they take fewer risks. In contrast to commonly held stereotypes that women are more risk averse than men, neither systemic theorizing nor empirical findings support that this popular assumption holds among top organizational leadership. Rather than seeking absolute gender differences in risk aversion, we take a more nuanced approach, considering executive job demands and decision orientation theories to examine underlying psychological mechanisms and economic boundary conditions to gender differences in strategic risk-taking. We test our hypotheses using multiple methods and samples, including an archival study of Fortune 1,000 firms and a survey of CEOs. Our results challenge absolute assumptions of gender risk preferences; rather, we find that female CEOs are less likely to choose risky strategies in a high job demands environment (e.g., economic downturn) due to underlying gender differences in other-orientation.
How can logistics real estate support third-party logistics providers?

ABSTRACT In recent years, the logistics outsourcing market has significantly expanded, driving also the growth of the logistics real estate sector. However, these subjects have been investigated separately, without empirical evidence on the assessment of warehouse features, nor studies matching those with 3PL providers’ needs. This paper aims to fill this gap by providing a deeper understanding of the alignment between the 3PL industry’s needs and the logistics real estate offering. An extensive literature review was used to investigate the characteristics of the logistics real estate industry and define the present and future challenges for the 3PL industry. Afterwards, 3PL warehouse features were analysed through data collected on 75 logistics buildings located in Italy. Results indicate that the logistics real estate seems relatively prepared to support the 3PL industry’s needs. However, such alignment could be further strengthened through investments by the logistics real estate towards environmental sustainability and warehouse automation.
Do Rates and Splitting of Phosphogypsum Applications Influence the Soil and Annual Crops in a No-Tillage System?

Applications of phosphogypsum (PG) provide nutrients to the soil and reduce Al3+ activity, favoring soil fertility and root growth, but allow Mg2+ mobilization through the soil profile, resulting in variations in the PG rate required to achieve the optimum crop yield. This study evaluated the effect of application rates and splitting of PG on soil fertility of a Typic Hapludox, as well as the influence on annual crops under no-tillage. Using a (4 × 3) + 1 factorial structure, the treatments consisted of four PG rates (3, 6, 9, and 12 Mg ha-1) and three split applications (P1 = 100 % in 2009; P2 = 50+50 % in 2009 and 2010; P3 = 33+33+33 % in 2009, 2010 and 2011), plus a control without PG. The soil was sampled six months after the last PG application, in stratified layers to a depth of 0.8 m. Corn, wheat and soybean were sown between November 2011 and December 2012, and leaf samples were collected for analysis when at least 50 % of the plants showed reproductive structures. The application of PG increased Ca2+ concentrations in all sampled soil layers and the soil pH between 0.2 and 0.8 m, and reduced the concentrations of Al3+ in all layers and of Mg2+ to a depth of 0.6 m, without any effect of splitting the applications. The soil Ca/Mg ratio increased linearly to a depth of 0.6 m with the rates and were found to be higher in the 0.0-0.1 m layer of the P2 and P3 treatments than without splitting (P1). Sulfur concentrations increased linearly by application rates to a depth of 0.8 m, decreasing in the order P3>P2>P1 to a depth of 0.4 m and were higher in the treatments P3 and P2 than P1 between 0.4-0.6 m, whereas no differences were observed in the 0.6-0.8 m layer. No effect was recorded for K, P and potential acidity (H+Al). The leaf Ca and S concentration increased, while Mg decreased for all crops treated with PG, and there was no effect of splitting the application. The yield response of corn to PG rates was quadratic, with the maximum technical efficiency achieved at 6.38 Mg ha-1 of PG, while wheat yield increased linearly in a growing season with a drought period. Soybean yield was not affected by the PG rate, and splitting had no effect on the yield of any of the crops. Phosphogypsum improved soil fertility in the profile, however, Mg2+ migrated downwards, regardless of application splitting. Splitting the PG application induced a higher Ca/Mg ratio in the 0.0-0.1 m layer and less S leaching, but did not affect the crop yield. The application rates had no effect on soybean yield, but were beneficial for corn and, especially, for wheat, which was affected by a drought period during growth.
Unravelling metamorphic ages of suture zone rocks from the Sabzevar and Makran areas (Iran): Robust age constraints for the larger Arabia–Eurasian collision zone

In this study we establish a time frame for metamorphic processes affecting Neotethyan suture zones at the northern (Sabzevar) and southern (Makran) margin of the Central Iranian Microcontinent. For this purpose, we have applied Rb–Sr and U–Pb geochronology to blueschist‐ and amphibolite facies rocks from these occurrences. So far, no isotopic ages are available for high‐P/low‐T rocks from the Sabzevar area which are exposed in the Govain and Chili mountains near Soltanabad. Three newly dated blueschists from the Govain mountain yielded Rb–Sr ages of 56.52 ± 0.32, 57.20 ± 0.32, and 55.12 ± 0.33 Ma respectively. These ages provide the first unambiguous evidence for late Palaeocene to early Eocene high‐P metamorphism in the Sabzevar zone and confirm the accuracy of earlier age assignments that were derived indirectly. The clearly confirmed age difference between late Palaeocene–early Eocene blueschists of the Govain mountain and kilometre‐scale dismembered HP granulites with Early Cretaceous (Albian) metamorphic ages from outcrops c. 60 km to the west of Soltanabad further corroborates interpretations that these rocks are not related to the same subduction zone complex. The blueschists record closure of an Albian to Late Cretaceous back‐arc basin, whereas the granulites formed due to subduction of older oceanic lithosphere. Uranium–Pb zircon dating of an amphibolite from the Iranshahr region in the Makran Zone yielded an intercept age of 87.8 ± 1.8 Ma and weighted mean age of 88.1 ± 1.7 Ma. Rb–Sr mineral isochrons for seven blueschist‐ and amphibolite facies samples from the same area generated very consistent ages of c. 84 Ma (± <1–3 Ma), regardless of metamorphic grade. The apparent contradiction that rocks recording different P–T conditions have identical metamorphic ages either indicates tectonic mixing of rocks during exhumation that originally had formed at the same time at different depths of the subduction system, or very rapid exhumation so that differences in closure temperatures became indistinguishable. The new data are similar, but much more precise, than previously reported K–Ar ages and suggest that most of the existing data had not been significantly compromised by contamination with extraneous Ar. Potassium–Ar indications for older blueschist‐ and/or amphibolite facies metamorphism (>85 Ma) have not yet been confirmed but can be reconciled with the larger geological frame implying that northward subduction of the Arabian plate beneath the Bajgan–Durkan continental block started shortly after c. 120 Ma.
Exploration and evaluation of crowdsourced probe-based Waze traffic speed

ABSTRACT Real-time traffic information such as traffic speed is essential to a variety of practical applications. Because of the high installation and maintenance cost of convention data collecting methods, transportation engineers have sought alternative data sources to monitor traffic. Probe-based traffic data, such as Waze traffic data, could serve as alternative data sources in traffic management, but this source has not been thoroughly explored nor evaluated. Using the 10.8 mile stretch of I-40 in Knoxville, Tennessee, we compared the speed measurements from both Waze and Remote Traffic Microwave Sensors (RTMS) over two months and explored the characteristics of Waze traffic speed data. These are the main findings: 1) These two datasets showed a similar pattern with slight differences. Waze speeds tend to be higher than RTMS speeds for high speed, while Waze speeds are more likely to be similar or even lower than RTMS speeds for low speed; 2) several factors affecting the speed differences between RTMS speeds and Waze speeds were identified, such as Waze speed value, time of day (peak hour vs. non-peak hour), AADT (Annual Average Daily Traffic), and segment length; and 3) Waze reported the same speed for several successive reporting periods if the real-time speed is not available. The effective Waze sampling period is about two to four minutes. Waze speeds had more real-time speed observations during congested times, indicating that Waze speeds are more reliable for congested scenarios. The findings may lead to a better understanding of this source of data and any resulting analysis.
Aluminum–silicon interdiffusion in silicon heterojunction solar cells with a-Si:H(i)/a-Si:H(n/p)/Al rear contacts

We characterize a-Si:H(i)/a-Si:H(n)/Al and a-Si:H(i)/a-Si:H(p)/Al contacts implemented on the rear side of silicon heterojunction solar cells. Electrical test structures and full-area solar cells employing these contacts demonstrate promising performance. For example, a-Si:H(i)/a-Si:H(p)/Al test structures with a 40 nm thick a-Si:H(p) layer that were annealed at 180 °C had contact resistivities of 48 mΩ · cm2 and implied open-circuit voltage losses after metallization of only 9 mV. Similarly, solar cells with full-area rear a-Si:H(i)/a-Si:H(n)/Al contacts that were annealed at 150 °C had open-circuit voltages of 717 mV and contact resistivities of 9.4 mΩ · cm2. For thinner doped a-Si:H layers and higher annealing temperatures, the contacts become less stable and performance degrades. Complementary transmission electron microscopy and energy-dispersive x-ray spectroscopy analysis show the Al–Si interactions at these interfaces that explain the range of exhibited performance. This analysis leads to a better understanding of the materials properties limiting the contact stability.
Developmental assets and positive youth development: an examination of gender differences in Spain

Abstract Positive Youth Development (PYD) model is a strength-based perspective of transition to adulthood derived from developmental systems theory. Developmental assets (DAs) framework describes the individual and contextual resources that may promote PYD. This work aims to analyze the associations between internal and external DAs and PYD, as well as examining gender differences, in Spanish youth. Data of students enrolled in 10 high schools and universities, collected in the PYD Cross-National Project in Spain through a self-report instrument, were used. Structural equation modeling showed that DAs were positively related to PYD. Some gender differences were observed in PYD, such that male students presented higher scores in confidence and competence, and female students showed more connection, caring, and character. Results of partial mediation modeling indicated that these gender differences in PYD may be partly explained by gender differences in DAs.
Is logistically motivated ex vivo lung perfusion a good idea?

Ex vivo lung perfusion (EVLP) is a technique for reconditioning and evaluating lungs. However, the use of EVLP for logistical reasons is still under discussion. In this retrospective study, all EVLPs performed between July 2012 and October 2019 were analyzed for ventilation and perfusion data. After transplantation, primary graft dysfunction (PGD), lung function, chronic lung allograft dysfunction (CLAD)-free survival, and overall survival were analyzed. Fifty EVLPs were performed: seventeen logistic EVLPs led to 15 lung transplantations (LT) and two rejections (LR), and 33 medical EVLPs resulted in 26 lung transplantations (MT) and seven rejections (MR). Pre-EVLP PaO2 was lower for MT than LT (p < 0.05). Dynamic lung compliance remained stable in MT and LT but decreased in MR and LR. Plateau airway pressure started at a higher level in MR (p < 0.05 MT vs. MR at T60) and increased further in LR. After transplantation, there were no differences between MT and LT in PGD, lung function, CLAD-free survival, and overall survival. In addition, the LT group was compared with a cohort group receiving standard donor lungs without EVLP (LTx). There were no significant differences between LT and LTx for PGD, CLAD-free survival, and overall survival. FVC was significantly lower in LT than in LTx after 1 year (p = 0.005). We found that LT lungs appear to perform better than MT lungs on EVLP. In turn, the outcome in the LT group was comparable with the LTx group. Overall, lung transplantation after EVLP for logistic reasons is safe and makes transplantation timing controllable.
Cost-effectiveness analysis of caplacizumab in the new standard of care for immune Thrombotic Thrombocytopenic Purpura in Italy

Objectives: To evaluate the cost-effectiveness analysis (CEA) of caplacizumab in combination with plasmapheresis (PEX) and immunosuppression compared to PEX and immunosuppression in the treatment of acute episodes of iTTP. Methods: A Markov model was used to conduct the CEA from the perspective of the hospital, over a lifetime horizon. Clinical data derived from HERCULES trial and a systematic literature review. Economic input included direct costs only. Utility and disutility values were obtained from literature. Data on healthcare resources and costs were retrieved from HERCULES trial, literature, TTP guidelines and Italian tariffs. A sensitivity analysis was conducted. The cost-effectiveness probability was tested for several options of discount levels considering a suggested willingness to pay (WTP) threshold of € 60,000 in Italy. Results: The use of caplacizumab in combination with PEX and immunosuppression is associated with a positive difference in survival of 3.27 life years (24.53 vs 21.26) and in quality of life of 3.06 QALY (22.01 vs 18.96) when compared to PEX and immunosuppression. Caplacizumab leads to an ICER per life years of € 41,653 and an ICER per QALY of € 44,572. For the suggested WTP threshold, the probability of caplacizumab being cost-effective is 82.4% (no discount), 92.8% (15% discount), 95.3% (20% discount), 96.9% (25% discount) and 98.2% (30% discount). Conclusions: Caplacizumab in addition to PEX and immunosuppression is cost-effective, allowing the hospital to achieve greater efficiency in managing the burden of a life-threatening disease such as iTTP.