bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental and Theoretical Study of the Ultrafast Dynamics of a Ni2Dy2‐Compound in DMF After UV/Vis Photoexcitation
Authors: Sold S. , Mummaneni B. C. , Michenfelder N. C. , Peng Y. , Powell A. K. , Unterreiner A.‐N. , Lefkidis G. , Hübner W. 
Published: December 2021

AbstractWe present a combined experimental and theoretical study of the ultrafast transient absorption spectroscopy results of a {Ni2Dy2}‐compound in DMF, which can be considered as a prototypic molecule for single molecule magnets. We apply state‐of‐the‐art ab initio quantum chemistry to quantitatively describe the optical properties of an inorganic complex system comprising ten atoms to form the chromophoric unit, which is further stabilized by surrounding ligands. Two different basis sets are used for the calculations to specifically identify two dominant peaks in the ground state. Furthermore, we theoretically propagate the compound's correlated many‐body wavefunction under the influence of a laser pulse as well as relaxation processes and compare against the time‐resolved absorption spectra. The experimental data can be described with a time constant of several hundreds of femtoseconds attributed to vibrational relaxation and trapping into states localized within the band gap. A second time constant is ascribed to the excited state while trap states show lifetimes on a longer timescale. The theoretical propagation is performed with the density‐matrix formalism and the Lindblad superoperator, which couples the system to a thermal bath, allowing us to extract relaxation times from first principles.
Assessing human well‐being constructs with environmental and equity aspects: A review of the landscape
Authors: Betley Erin C. , Sigouin Amanda , Pascua Pua’ala , Cheng Samantha H. , MacDonald Kenneth Iain , Arengo Felicity , Aumeeruddy‐Thomas Yildiz , Caillon Sophie , Isaac Marney E. , Jupiter Stacy D. , Mawyer Alexander , Mejia Manuel , Moore Alexandria C. , Renard Delphine , Sébastien Lea , Gazit Nadav , Sterling Eleanor J. 
Published: December 2021

Abstract

Decades of theory and scholarship on the concept of human well‐being have informed a proliferation of approaches to assess well‐being and support public policy aimed at sustainability and improving quality of life.

Human well‐being is multidimensional, and well‐being emerges when the dimensions and interrelationships interact as a system. In this paper, we illuminate two crucial components of well‐being that are often excluded from policy because of their relative difficulty to measure and manage: equity and interrelationships between humans and the environment.

We use a mixed‐methods approach to review and summarize progress to date in developing well‐being constructs (including frameworks and methods) that address these two components.

Well‐being frameworks that do not consider the environment, or interrelationships between people and their environment, are not truly measuring well‐being in all its dimensions.

Use of equity lenses to assess well‐being frameworks aligns with increasing efforts to more holistically characterize well‐being and to guide sustainability management in ethical and equitable ways.

Based on the findings of our review, we identify several pathways forward for the development and implementation of well‐being frameworks that can inform efforts to leverage well‐being for public policy.
Silicon‐based passivating contacts: The TOPCon route
Authors: Glunz Stefan W. , Steinhauser Bernd , Polzin Jana‐Isabelle , Luderer Christoph , Grübel Benjamin , Niewelt Tim , Okasha Asmaa M. O. M. , Bories Mathias , Nagel Henning , Krieg Katrin , Feldmann Frank , Richter Armin , Bivour Martin , Hermle Martin 
Published: December 2021

AbstractPassivating contacts based on poly‐Si/SiOx structures also known as TOPCon (tunnel oxide passivated contacts) have a great potential to improve the efficiency of crystalline silicon solar cells, resulting in more than 26% and 24% for laboratory and industrial cells, respectively. This publication gives an overview of the historical development of such contact structures which have started already in the 1980s and describes the current state‐of‐the‐art in laboratory and industry. In order to demonstrate the great variety of scientific and technological research, four different research topics are addressed in more detail: (i) the superior passivation quality of TOPCon structures made it necessary to re‐parametrize intrinsic recombination in silicon, (ii) the control of diffusion of dopants through the intermediate SiOx layer is essential to optimize passivation and transport properties, (iii) single‐sided deposition of the poly‐Si layer would reduce process complexity for industrial TOPCon cells, and (iv) silicon‐based tunnel junctions for perovskite–silicon tandem cells can be fabricated using the TOPCon technology.
Progress of plated metallization for industrial bifacial TOPCon silicon solar cells
Authors: Grübel Benjamin , Cimiotti Gisela , Schmiga Christian , Schellinger Stefan , Steinhauser Bernd , Brand Andreas A. , Kamp Mathias , Sieber Markus , Brunner Damian , Fox Stephen , Kluska Sven 
Published: December 2021

AbstractIndustrial tunnel oxide and passivated contact (i‐TOPCon) solar cells were metallized at Fraunhofer ISE using ultrashort pulse laser ablation of the passivation layers for the subsequent Ni/Cu/Ag plating process. The solar cells feature a tunnel SiOxand n‐type doped polysilicon layer covered by a SiNxat the rear side, whereas the front side is made of a boron emitter passivated with a AlOx/SiNxstack. The reference i‐TOPCon solar cells screen‐printed at the supplier reach an efficiency of 23.46% measured by Fraunhofer ISE CalLab. The impact of the laser process on the implied open circuit voltage (iVoc) is characterized showing minor impact on the TOPCon side, while the emitter side reveals an increasediVocloss due to laser damage. Loss analysis by simulating the plated solar cells points out the benefit of reducing the laser contact opening (LCO) area in terms of shading and contact recombination. Optimization of laser ablation and hydrofluoric acid (HF) pretreatment process result inVoc > 700 mV andFF> 82% leading to a mean efficiency 23.6% measured in‐house and a champion efficiency of 23.84% measured at Fraunhofer ISE CalLab thus outperforming the references by 0.4%abs.
Catalase protects against nonenzymatic decarboxylations during photorespiration in Arabidopsis thaliana
Authors: Bao Han , Morency Matt , Rianti Winda , Saeheng Sompop , Roje Sanja , Weber Andreas P. M. , Walker Berkley James 
Published: December 2021

AbstractPhotorespiration recovers carbon that would be otherwise lost following the oxygenation reaction of rubisco and production of glycolate. Photorespiration is essential in plants and recycles glycolate into usable metabolic products through reactions spanning the chloroplast, mitochondrion, and peroxisome. Catalase in peroxisomes plays an important role in this process by disproportionating H2O2 resulting from glycolate oxidation into O2 and water. We hypothesize that catalase in the peroxisome also protects against nonenzymatic decarboxylations between hydrogen peroxide and photorespiratory intermediates (glyoxylate and/or hydroxypyruvate). We test this hypothesis by detailed gas exchange and biochemical analysis of Arabidopsis thaliana mutants lacking peroxisomal catalase. Our results strongly support this hypothesis, with catalase mutants showing gas exchange evidence for an increased stoichiometry of CO2 release from photorespiration, specifically an increase in the CO2 compensation point, a photorespiratory‐dependent decrease in the quantum efficiency of CO2 assimilation, increase in the 12CO2 released in a 13CO2 background, and an increase in the postillumination CO2 burst. Further metabolic evidence suggests this excess CO2 release occurred via the nonenzymatic decarboxylation of hydroxypyruvate. Specifically, the catalase mutant showed an accumulation of photorespiratory intermediates during a transient increase in rubisco oxygenation consistent with this hypothesis. Additionally, end products of alternative hypotheses explaining this excess release were similar between wild type and catalase mutants. Furthermore, the calculated rate of hydroxypyruvate decarboxylation in catalase mutant is much higher than that of glyoxylate decarboxylation. This work provides evidence that these nonenzymatic decarboxylation reactions, predominately hydroxypyruvate decarboxylation, can occur in vivo when photorespiratory metabolism is genetically disrupted.
Comprehensive kinomic study via a chemical proteomic approach reveals kinome reprogramming in hepatocellular carcinoma tissues
Authors: Wang Shufeng , Wang Xinzheng , Yang Xin , Liu Feng , Li Jin , Li Weihua , Bai Zhaofang , Wang Hongbo , Mao Jie , Li Tingting , He Kun , Wang Hongxia 
Published: December 2021

AbstractHepatocellular carcinoma (HCC) is one of the most common cancers worldwide. Kinases are attractive therapeutic targets since they are commonly altered in cancers. Here, to identify kinases of potential therapeutic interest in HCC, a quantitative kinomic study of tumour and adjacent non‐tumour liver tissues was performed using a chemical proteomics approach. In total, 124 kinases were found differentially expressed and they were distributed over all nine kinase groups. Exploration of The Cancer Genome Atlas (TCGA) data showed that the dysregulation of 45 kinases was correlated with poor prognosis in HCC patients. We then tested 11 inhibitors targeting 12 crucial protein kinases alone or in combination for their ability to inhibit cell growth in Hep3B and PLC/PRF/5 cell lines. Six inhibitors significantly reduced viability in both cell lines. Combination inhibition of polo‐like kinase 1 (PLK1) and casein kinase 1 epsilon (CSNK1E) significantly induced growth arrest in both cell lines synergistically. In summary, our analysis presents the most complete view of kinome reprogramming in HCC and provides novel insight into crucial kinases in HCC and potential therapeutic targets for HCC treatment. Moreover, the identification of hundreds of differentially expressed kinases forms a rich resource for novel drug targets or diagnostic biomarker discovery. Data are available via ProteomeXchange (identifier PXD023806).
Pediatric respiratory hospitalizations in small for gestational age neonates born at term
Authors: Peles Galia , Paz‐Levy Dorit , Wainstock Tamar , Goldbart Aviv , Kluwgant Dvora , Sheiner Eyal 
Published: December 2021

AbstractObjectiveThis study investigates the risk for long‐term respiratory hospitalizations of offspring born small for gestational age (SGA) at term.Study designA retrospective population‐based cohort analysis was performed to examine the risk of long‐term respiratory hospitalizations between SGA compared to appropriate for gestational age (AGA) newborns. The analysis included all term singleton deliveries occurring between 1991 and 2014 at a single tertiary medical center. Fetuses with congenital malformations, multiple gestation, cases of perinatal mortality and large for gestational age (LGA) were excluded. A Kaplan–Meier survival curve was used to compare cumulative morbidity incidence up to the age of 18 years, and a Cox hazards regression model was used to control for confounders.ResultsDuring the study period 216,671 deliveries met the inclusion criteria; of them 4.8% (n = 10,450) were diagnosed as SGA neonates. During the follow‐up period, the rate of hospitalization due to respiratory morbidity was significantly higher in the SGA group as compared to the AGA group (5.2% vs. 4.7%, OR = 1.13, 95% confidence interval [CI] = 1.03−1.24, p = 0.011). The Kaplan–Meier survival curve demonstrated a significantly higher cumulative incidence of respiratory morbidity in the SGA group (log‐rank p = 0.026). In the Cox hazards regression model, controlled for relevant clinical confounders, SGA was found to be an independent risk factor for long‐term pediatric respiratory morbidity (adjusted hazard ratio [HR] = 1.1, 95% CI = 1.001−1.19, p = 0.049).ConclusionBeing delivered SGA at term is an independent long‐term risk factor for pediatric respiratory hospitalization.
Incidence, predictors of success and outcome of LISA in very preterm infants
Authors: Balazs Gergely , Balajthy Andras , Riszter Magdolna , Kovacs Tamas , Szabo Tamas , Belteki Gusztav , Balla Gyorgy 
Published: December 2021

AbstractObjectivesThe aim of this study was to examine the success rate of less invasive surfactant administration (LISA), to identify early predictive factors for the outcome of LISA, and to compare neonatal outcomes between the LISA failure group and the group of infants who were successfully treated with LISA.DesignA retrospective cohort study.PatientsInfants born at less than 33 weeks of gestation (n = 158) and treated with LISA for respiratory distress syndrome.ResultsLISA was successful in 86 cases (54.4%); 72 preterm infants (45.6%) needed additional surfactant therapy and/or mechanical ventilation in the first 72 h (LISA failure). In a multivariate logistic regression analysis, six independent predictors of LISA success were identified: core temperature at the time of admission (adjusted odds ratio (OR): 3.56), dose of poractant alfa (<200 mg/kg; adjusted OR: 0.254), elevated C‐reactive protein (>10 mg/L) at 24 h of life (adjusted OR: 0.28), highest respiratory severity score (RSS) during the first hour of life or at the time of LISA (adjusted OR: 0.463), maternal age (adjusted OR: 0.923), and birth weight (adjusted OR: 1.003). The receiver operating curve created by using the identified factors indicates good predictive power with an area under the curve of 0.85. LISA failure was associated with a substantially higher risk of complications.ConclusionLISA success can be predicted by variables available before the intervention. Failure of LISA is relatively frequent event in very preterm infants and is associated with adverse outcomes. Prevention of hypothermia during early stabilization and appropriate dosing of surfactant may increase LISA success rates and improve patient outcome.
Bronchiolitis phenotypes identified by latent class analysis may influence the occurrence of respiratory sequelae
Authors: Petrarca Laura , Nenna Raffaella , Di Mattia Greta , Frassanito Antonella , Castro‐Rodriguez Jose A. , Rodriguez Martinez Carlos E. , Mancino Enrica , Arima Serena , Scagnolari Carolina , Pierangeli Alessandra , Midulla Fabio 
Published: December 2021

AbstractBackgroundThe heterogeneity of bronchiolitis may imply or reflect a different predisposition to respiratory sequelae.ObjectiveOur aim was to investigate whether, among infants hospitalized with bronchiolitis, different clinical profiles extracted by latent class analysis (LCA) are associated with different risks of wheezing.MethodsOver 15 consecutive epidemic seasons (2004–2019), we prospectively enrolled infants <1 year hospitalized for the first episode of bronchiolitis in a single tertiary hospital. A detailed clinical questionnaire was filled for each infant. LCA was applied to differentiate bronchiolitis phenotypes, and after hospital discharge, a phone interview was performed annually to record the presence of wheezing episodes. Adjusted multivariate regression analyses were run to investigate the risk of wheezing during 7 years follow‐up according to clinical phenotypes.ResultsLCA performed on 1312 infants resulted in a three‐class model. Profile 1 (65.5%): moderate bronchiolitis; Profile 2 (6.1%): severe bronchiolitis; and Profile 3(28.4%): bronchiolitis infants with high eosinophils blood count. At 1 year of follow up, about 50% of children presented wheezing in each profile. Compared to Profile 1, the adjusted odds ratio (OR) of having wheezing episodes was significantly higher in Profile 2 at 2, 3, and 4 years of follow‐up. At 7 years, Profile 3 had an adjusted OR = 2.58, higher than Profile 2 (adjusted OR = 2.29).ConclusionsLCA clearly identified a “moderate”, “severe,” and “high eosinophils blood count” bronchiolitis. During the first 4 years after bronchiolitis, the “severe” profile showed the higher risk of wheezing, but after 7 years this risk seems higher in the “high eosinophils blood count” group.
Studies on Effect of Nitrogen Rich Explosives on the Morphology, Thermal and Combustion Behaviour of B/KNO3 Composition
Authors: Rawal Sukeshni , Kakade Seema Dilip , Khanna Pawan Kumar 
Published: December 2021

AbstractThe study elucidates the influence of three nitrogen‐rich explosives viz., FOX‐7, FOX‐12, and RS‐RDX on the performance of B/KNO3/PEC igniter composition. The B/KNO3 pyrotechnic igniter compositions with 5, 10 & 15 parts of FOX‐7, FOX‐12, and RS‐RDX were successfully prepared. The compositions were evaluated in terms of surface morphology, heat output, sensitivities, flame temperature, pressure output, ignition delay, time to reach Pmax (BTPmax), and thermal analysis. The closed vessel firing data indicated higher Pmax value and lower BTPmax for FOX‐12 and FOX‐7 based composition. The addition of FOX‐12 and FOX‐7 also reduces the decomposition temperature of B/KNO3 composition without affecting friction and spark sensitivities. The composition having 15 parts RSRDX is the most insensitive to impact among all. Therefore, the addition of insensitive high explosives like RS‐RDX, FOX‐7and FOX‐12 is useful to improve the performance of the igniter composition to achieve low BTPmax and increased pressure output. Optimum performance is exhibited by RS‐RDX‐based compositions.
Quantum‐chemical approaches in the study of fullerene and its derivatives by the example of the most typical cycloaddition reactions: A review
Authors: Sattarova Alina F. , Biglova Yulia N. , Mustafin Akhat G. 
Published: December 2021

AbstractIn the past two decades, quantum chemistry has become an indispensable tool for the reliable interpretation of experimental measurements of a wide range of molecular properties of fullerene and its derivatives. Among the modern quantum‐chemical methods of analysis, preference is given to the density functional theory. This review describes the computational studies that demonstrate rather comprehensively the prospects of quantum‐chemical calculations in many fields of the chemistry of fullerene and its derivatives, such as geometric parameters, stability of structures, molecular spectroscopic properties, electronic structures, the nature of bonds, thermochemistry, and simulation of the kinetics and mechanism of processes. The review focuses on the most typical cycloaddition reactions such as Diels–Alder, Prato and Bingel–Hirsch reactions. The general trends of scientific studies in this area are also discussed and a wide range of references is provided where the readers can find technical details of computational approaches that may be of interest for them.
Space‐and‐time‐synchronized simultaneous fully‐actuated vehicle tracking/formation using cascaded prescribed‐time control
Authors: Wang Peng , Chen Ziyin , Zhang Xiaobing , Ge Shuzhi Sam 
Published: December 2021

AbstractIn this article, we present a space‐and‐time‐synchronized control method with application to the simultaneous tracking/formation of fully‐actuated vehicles. In the framework of polar coordinates, through correlating and decoupling the reference/actual kinematics between the self vehicle and target, time and space are separated, controlled independently. As such, the specified state can be achieved at the predetermined terminal time, meanwhile, the relative trajectory in space is independent of time. In addition, for the stabilization before the predesigned time, a cascaded prescribed‐time control theorem is provided as the preliminary of vehicle tracking control. The obtained results can be directly extended to the simultaneous tracking/formation of multiple vehicles. Finally, numerical examples are provided to verify the effectiveness and superiority of the proposed scheme.
Robust control for uncertain impulsive systems with input constraints and external disturbance
Authors: Lou Xuyang , Zhang Xin , Ye Qian 
Published: December 2021

AbstractThis paper is concerned with the problem of robustcontrol for uncertain impulsive systems with input constraints. The parametric uncertainties are assumed to be time‐varying and norm‐bounded. The input constraints under consideration are novel reverse polytopic constraints avoiding a set of specified input values. Via the designed state feedback switching control law, the input constraints can be satisfied. Moreover, by applying the Lyapunov function theory, sufficient conditions for robust stabilization andcontrol are established in terms of linear matrix inequalities. A numerical example is given to demonstrate the effectiveness of the proposed control method.
A novel approach for visualization, monitoring, and control techniques for Scrum metric planning using the analytic hierarchy process
Authors: Tekin Nesib , Yilmaz Murat , Clarke Paul 
Published: December 2021

AbstractAlthough Scrum is one of the most preferred agile development frameworks that guide the development process, measuring sprint productivity is still challenging. In fact, it is hard to provide a continuous measurement during consecutive Scrum sprints, especially selecting the optimal metrics that fit better for real industrial applications. To bridge this gap, we conducted an industrial case study within the TÜBİTAK SAGE software development group to demonstrate the performance and applicability of a systematic selection process for fitting add‐on components using various scrum metrics tools. Next, we analyzed the combination of software developers' preferences of process metrics concerning their characteristics and their defense industry compatibility. Consequently, we assessed the metrics that might likely integrate into the Scrum development using the analytic hierarchy process. The results indicated that the Actionable Agile Add‐on scored the highest, followed by the Screenful Add‐on. Ultimately, this contemporary study presented a novel approach that has increased individuals' participation in metric planning, implementation, and monitoring, therefore moving towards more achievable software development goals.
Universal microscopic spectrum of the unquenched QCD Dirac operator at finite temperature
Authors: Akemann G. , Würfel T. R. 
Published: December 2021

Abstract
In the ε-regime of chiral perturbation theory the spectral correlations of the Euclidean QCD Dirac operator close to the origin can be computed using random matrix theory. To incorporate the effect of temperature, a random matrix ensemble has been proposed, where a constant, deterministic matrix is added to the Dirac operator. Its eigenvalue correlation functions can be written as the determinant of a kernel that depends on temperature. Due to recent progress in this specific class of random matrix ensembles, featuring a deterministic, additive shift, we can determine the limiting kernel and correlation functions in this class, which is the class of polynomial ensembles. We prove the equivalence between this new determinantal representation of the microscopic eigenvalue correlation functions and existing results in terms of determinants of different sizes, for an arbitrary number of quark flavours, with and without temperature, and extend them to non-zero topology. These results all agree and are thus universal when measured in units of the temperature dependent chiral condensate, as long as we stay below the chiral phase transition.