bluuebunny/crossref_metadata_2025 huggingface dataset:
High throughput construction for the deformation mechanism diagram and dynamic recrystallization of a bimodal‐sized particle‐reinforced Ti‐2.5Zr‐2Al‐1(Si,C) titanium alloy
Authors: An Yixin , Zhou Kechao , Wei Shaohong , Zhu Shiyan , Deng Yechen , Xiao Yangzhihong , Zhang Xiaoyong , Ke Yubin , Wang Bingfeng
Published: September 2023

An in situ autogenous particle‐reinforced Ti‐2.5Zr‐2Al‐1(Si,C) titanium alloy is prepared by vacuum induction melting. The wide range of an effective strain between 0.2 and 1.2 and the corresponding microstructure are obtained by the double‐cone high‐throughput compression test and finite element simulation. The deformation mechanism diagram with strains of 0.2–1.2 and strain rates of 0.7–1.5 s−1 at 900°C is constructed. When the strain rate is 1.3 s−1, dynamic recovery occurs in the small strain range (<0.377), dynamic recrystallization (DRX) occurs in the medium strain range (0.377–1.182), and deformation instability occurs in the large strain range (>1.182), resulting in the deformation bands. High‐angle annular dark field and high‐resolution transmission electron microscopy are used to determine the existence of bimodal particle distribution, namely micron‐scale TiC particles and nano‐scale Ti5Si3 and (Zr, Si) particles. The average radius of the (Zr, Si) nanoparticles measured by small angle neutron scattering is 19.3 nm, and the volume fraction is 0.35%. DRX grains with an average size of 0.49 μm are obtained at 900°C, strain rate of 1.3 s−1, and strain of about 0.6. Micron‐scale particles stimulated DRX nucleation, while nanoscale particles hindered the growth of new grains, resulting in grain refinement.
Novel DNA methylation biomarkers in enhancer regions with chromatin interactions for diagnosis of non‐small‐cell lung cancer
Authors: Zhu Zhixian , Zhou Qiangwei , Guan Pengpeng , Sun Yuanhui , Li Guoliang
Published: September 2023

Lung cancer is the leading cause of cancer‐related deaths worldwide. DNA methylation has been recognized as a potential biomarker for lung cancer diagnosis. Most reported DNA methylation biomarkers focus on promoter regions, leaving enhancer regions largely unexplored. Here, we employed multiomics data to identify DNA methylation biomarkers for non‐small‐cell lung cancer diagnosis. Especially, we linked enhancers to their target genes using long‐range chromatin interactions for biomarker prediction. We discovered two sets of DNA methylation biomarkers: one in promoter regions and another in enhancer regions. Both achieved extremely high sensitivity and specificity in five independent validation data sets. Compared with three other reported biomarker sets, both groups in our study demonstrated better and more robust classification performance in validation data sets. These novel DNA methylation biomarkers may improve lung cancer screening and ultimately contribute to improved clinical outcomes for patients. To our best knowledge, this is the first time to introduce chromatin interactions to link enhancers to their targets for biomarker study, highlighting the potential of enhancer methylation as a complement to current promoter‐based DNA methylation biomarkers. Our approach may have potential applications for other cancer types and could be a valuable direction for future research in the field of cancer biomarker discovery.
Trial‐based economic evaluation of mindfulness‐based cognitive therapy compared to treatment as usual for bipolar disorder
Authors: Wijnen Ben , Jansen Maud , van Velthoven Annelieke , Hanssen Imke , Huijbers Marloes , Evers Silvia , Speckens Anne
Published: September 2023

Objective

Aim of this study was to assess the cost‐effectiveness and cost‐utility of mindfulness‐based cognitive therapy (MBCT) and treatment as usual (TAU) compared to TAU alone in adults with Bipolar disorder (BD).

Methods

An economic evaluation with a time horizon of 15 months was conducted from a societal perspective. Outcomes were expressed in costs per quality adjusted life years (QALYs) and costs per responder using the inventory of depressive symptomatology clinician rating score.

Results

People with BD (N = 144) were included in this study. From a societal perspective, the difference of total costs between MBCT + TAU and TAU was €615, with lower costs in the MBCT + TAU group. Only healthcare costs differed significantly between the two groups. A small difference in QALYs in favor of MBCT + TAU was found combined with lower costs (−€836; baseline adjusted) for MBCT + TAU compared to TAU, resulting in a dominant incremental cost‐utility ratio. The probability that the MBCT + TAU was cost‐effective was 65%. All sensitivity analyses attested to the robustness of the base case analyses.

Conclusion

Concludingly, MBCT + TAU seems to be cost‐effective compared to TAU alone, indicated by a small or neglectable difference in effect, in favor of MBCT + TAU, while resulting in lower costs.
Preconditioned smoothed numerical manifold methods with unfitted meshes
Authors: Liu Zhijun , Guan Zhichun , Tong Yuxin , Zhang Yimin , Zheng Hong , Yang Wenzhi
Published: September 2023

The numerical manifold method (NMM) has been widely utilized to solve problems involving complicated boundaries, cracks, and interfaces. Recently, strain or gradient smoothing techniques have been incorporated into NMM to improve its performance. The resulting smoothed NMMs (SNMMs) normally possess enhanced numerical properties, for example, higher accuracy, convergence, and efficiency. A challenging issue rooted in NMM and other enhanced finite element methods using unfitted meshes is the ill‐conditioning induced by extremely small cut element. In this study, we investigate the behaviors of SNMMs in the case of small cut element. It is demonstrated that the cut‐induced ill‐conditionings also exist for two types of SNMMs, namely, edge‐based SNMM and physical‐patch‐based SNMM. Furthermore, a preconditioner based on the normalization of basis functions is proposed to resolve the ill‐conditioning. Several benchmark problems demonstrate the performances of SNMMs regarding accuracy, convergence, and stability.
Stochastic deconvolution of wall statistics in Reynolds‐averaged Navier–Stokes simulations based on one‐dimensional turbulence
Authors: Glawe Christoph , Klein Marten , Schmidt Heiko
Published: September 2023

Reynolds‐averaged Navier–Stokes simulation (RaNS) is state‐of‐the‐art for numerical analysis of complex flows at high Reynolds number. Standalone RaNS may yield a reasonable estimate of the wall‐shear stress and turbulent drag if a proper wall‐function is prescribed, but detailed turbulence statistics cannot be obtained, especially at the wall. This lack in modeling is addressed here by a stochastic deconvolution strategy based on a stochastic one‐dimensional turbulence (ODT) model. Here, a one‐way coupling strategy is proposed in which a forcing term is computed from the balanced RaNS solution that is in turn utilized in the ODT model. The temporally developing ODT solution exhibits turbulent perturbations but relaxes toward the local RaNS solution due to resolved molecular‐diffusive processes. It is demonstrated that the approach is able to recover the distribution of positive wall‐shear stress fluctuations in turbulent channel flow. When formulated as post‐processing tool, it is suggested that RaNS can be enhanced by ODT providing economical means for local high‐fidelity numerical modeling based on a low‐fidelity flow solution.
A data generation approach for surrogate models for magneto‐static simulations
Authors: Niekamp Rainer , Niemann Johanna , Reichel Maximilian , Schröder Jörg
Published: September 2023

In this paper, we propose an efficient numerical scheme for the prediction of the magnetic stray fields in two‐dimensional random microheterogeneous materials. Since data‐driven models require thousands of training datasets, Finite Element Method simulations appear to be too time consuming. Therefore, a stochastic model based on Brownian motion, which uses an efficient evaluation of stochastic transition matrices, is used as a Poisson solver to generate training data.
Influence of carbon fiber nickel electroplating on the electromagnetic interference shielding and mechanical properties of carbon fiber reinforced polyamide 6 composites
Authors: Wang Wenhao , Zhai Zhanyu , Liu Jinglin , Wang Yilei , Yang Zhonghao
Published: September 2023

This article investigates the use of nickel electroplated carbon fiber (Ni‐CF) fabric to enhance the electromagnetic interference (EMI) shielding capability of carbon fiber reinforced thermoplastics (CFRTs), particularly for automotive and aerospace applications. The study examines the influence of nickel electroplating parameters of carbon fiber on the morphologies of carbon fiber fabrics. Ni‐CF reinforced polyamide 6 (Ni‐CF/PA 6) was prepared by the film‐stacking method. The flexural properties analysis demonstrates a 21.1% increase in flexural strength for Ni‐CF/PA 6 composites compared to as‐received carbon fiber reinforced PA 6 (CF/PA 6) composites. Additionally, the introduction of nickel layer significantly improves the EMI shielding efficiency of CF/PA 6 composites, with the average shielding efficiency increasing from 23.5 to 31.6 dB within the X‐band and Ku‐band frequency ranges. Scanning electron microscope (SEM) analysis confirms that the nickel layer enhances the interfacial bonding between the PA 6 matrix and the Ni‐CF, which is attributed to the micro cone‐shaped structures of the nickel layer. Overall, the electroplating method effectively modifies the carbon fiber surface, resulting in composite laminates with enhanced mechanical properties and superior EMI shielding efficiency. These findings provide valuable insights for the development of advanced carbon fiber reinforced composites with improved functionalities in various applications.

Highlights

The electroplating method is used to process the nickel electroplated carbon fiber fabrics.

The introduction of micro cone‐shaped structure nickel on the fiber surface by electroplating provides the mechanical interlocking between carbon fiber and matrix.

The nickel electroplated carbon fiber can significantly increase electromagnetic interference shielding capability of carbon fiber reinforced thermoplastic composites.
Bystander intervention style and motivational factors influencing behavior in bullying situations
Authors: Gotdiner Vered , Gumpel Thomas P.
Published: September 2023

Whether to intervene or not during a bullying situation influences how the interaction plays out. The researchers present a theoretical model of social dominance orientation, moral disengagement, and intervention self‐efficacy vis‐à‐vis intervention behaviors. Data were collected from 284 Israeli Hebrew speaking adolescents. Participants were recruited using a snowball sampling technique. The results of structural equation modeling reveals that moral disengagement was a mediator between the association of social dominance orientation with the pro‐bully bystander and outsider behaviors. Pro‐bully bystander and victim‐defender behaviors positively influenced the outsider behavior, and self‐efficacy was related to the victim‐defender behavior. Our results expand the understanding of the relationship between bystander intervention behaviors and motivational factors.
A critical review of empathy assessments for children ages 3–12
Authors: Bayne Hannah B. , Swank Jaqueline M. , Gage Nicholas
Published: September 2023

Empathy is a key component of socioemotional skills and contributes to prosocial responses and relational closeness. There remain challenges to accurately assess children's empathy, particularly given the reliance on external observer reports, and the lack of frameworks for how empathy may manifest differently at various developmental stages. In this study, we systematically reviewed research on the measurement of empathy in children ages 3–12. We identified 193 independent research publications reporting the use of empathy measures with children. From those, we identified 136 different empathy assessments across studies, with 66% involving rating scales and 48% involving self‐report data. We conducted a reliability generalization analysis and meta‐regression to examine the psychometric properties of empathy measures for children. We then discuss implications and recommendations for future research.
Differences of biopsychosocial distress and requests for psychological assistance between Asian American and non‐Hispanic White oncology patients
Authors: Ng Winnie , Baik Sharon H. , Razavi Marianne , Clark Karen , Lee Jonathan , Loscalzo Matthew , Folbrecht Jeanelle
Published: September 2023

Objective

The purpose of this study was to compare Asian American (AA) to non‐Hispanic White (NHW) cancer patients regarding biopsychosocial distress and requests for psychological assistance.

Methods

This retrospective study included 5627 eligible patients, newly diagnosed with cancer, who completed the 30‐item SupportScreen® survey of biopsychosocial distress. The top 10 sources of high distress were assessed. Distress domains (Emotional, Physical/Functional, and Practical) were examined by race/ethnicity. Requests for psychological assistance were also explored by ethnic groups.

Results

Overall, the top 10 sources of high distress were similar between groups and approximately half consisted of concerns regarding physical symptoms. All patients preferred “talking” as their method of receiving assistance for these items. Ratings of emotional, practical, and physical/functional distress were similar between AA and NHW patients. However, AAs (vs. NHWs) requested more assistance regarding physical/functional and practical distress. No difference was observed between these two groups regarding requests for emotional support.

Conclusions

Overall, our study suggests that healthcare providers should be aware of the physical and practical needs of AA cancer patients and provide culturally sensitive care that addresses these needs.
Molecular dynamics simulation research on the interaction between plasma and living organisms: A comprehensive review
Authors: Li Yan , Tan Shihao , Liu Dawei , Zhang Yuantao
Published: September 2023

In recent years, plasma biomedicine has developed into a new interdisciplinary subject. The interaction between plasma and organisms involves three aspects: “gas–liquid–living organisms.” Molecular dynamics (MD) simulation can simulate the interaction process between plasma and biological tissue with high temporal and spatial resolution. This article reviews the research on plasma biomedicine based on MD simulation and systematically summarizes the progress of MD simulation research on the interaction between plasma and water layer, cell membrane, intracellular substances, extracellular environment, and viruses. These simulations offer a unique opportunity to gain insights into the microscopic mechanisms of these interactions. This article also further looks forward to the opportunities and challenges of MD simulation research.
Spanish adaptation and validation of the child‐ and parent‐report cystic fibrosis questionnaire‐revised (CFQ‐R)
Authors: Blanco‐Orive Paula , del Corral Tamara , Martín‐Casas Patricia , Cebrià I Iranzo Maria Àngels , Godoy‐Nieto Cristina , López‐de‐Uralde‐Villanueva Ibai
Published: September 2023

Objective

To evaluate the psychometric properties of the Spanish versions of the child‐ and parent‐report cystic fibrosis questionnaire‐revised (CFQ‐R).

Methods

A Spanish adaptation of the CFQ‐R was performed; 68 children with CF (6−13 years) and their parents completed the child‐ and parent‐report CFQ‐R, respectively, and the Revidierter KINDer Lebensqualitätsfragebogen (KINDL) questionnaire. The CFQ‐R was completed twice, 7−10 days apart, and its psychometric properties were analyzed.

Results

The internal consistency of both CFQ‐R versions was adequate (child‐report version, Cronbach's α >.60 for all domains except “Treatment Burden” [α = .42] and “Social Functioning” [α = .57]; parent‐report version, α > .60 for all domains except “Social Functioning” [α = .58]). For the child‐report version, the lowest measurement error was for “Emotional Functioning” (standard error of measurement [SEM]: 8.3%; minimal detectable change [MDC90]: 19.3%), and the highest was for “Body Image” (SEM: 15%; MDC90: 35%). For the parent‐report version, the lowest measurement error was for “Physical Functioning” (SEM: 7.1%; MDC90: 16.5%), and the highest was for “Weight” (SEM: 17.2%; MDC90; 40.1%). The correlation between the versions showed higher agreement for the domains related to observable signs (“Physical Functioning”) and lower agreement for “Emotional Functioning.” There was a significant correlation between the CFQ‐R and KINDL.

Conclusion

Both the child‐ and parent‐report versions of the Spanish CFQ‐R have adequate reliability and validity for clinical and research purposes. These versions can be administered before and after starting modulator therapy to assess its effect on daily functioning. The MDC90 can help identify, with a high probability, whether real changes have occurred in the quality‐of‐life subscales in children with CF.
The follow‐up of children on home invasive mechanical ventilation after hospital discharge
Authors: Nayır Büyükşahin Halime , Yalcın Ebru
Published: September 2023

The number of children on home invasive mechanical ventilation (HIMV) has been increasing because it is a cost‐effective strategy, the developments in technological tools, and its psychological and developmental advantages. Therefore, healthcare providers should be familiar with the follow‐up of these patients after hospital discharge. This review will highlight the important points to be aware of during home care of children on HIMV, emphasizing the frequency of scheduled hospital visits after hospital discharge, recognizing adverse events related to HIMV, and ensuring the continued care of these children in areas such as vaccination, and performing appropriate tests in the follow‐up.
Model‐based assessment of neutrophil‐mediated phagocytosis and digestion of bacteria across in vitro and in vivo studies
Authors: Thorsted Anders , Pham Anh Duc , Friberg Lena E. , Nielsen Elisabet I.
Published: September 2023

Neutrophil granulocytes are key components of the host response against pathogens, and severe neutropenia, with neutrophil counts below 0.5 × 106 cells/mL, renders patients increasingly vulnerable to infections. Published in vitro (n = 7) and in vivo (n = 5) studies with time‐course information on bacterial and neutrophil counts were digitized to characterize the kinetics of neutrophil‐mediated bacterial killing and inform on the immune systems' contribution to the clearance of bacterial infections. A mathematical model for the in vitro dynamics of bacteria and the kinetics of neutrophil‐mediated phagocytosis and digestion was developed, which was extended to in vivo studies in immune‐competent and immune‐compromised mice. Neutrophil‐mediated bacterial killing was described by two first‐order processes—phagocytosis and digestion—scaled by neutrophil concentration, where 50% of the maximum was achieved at neutrophil counts of 1.19 × 106 cells/mL (phagocytosis) and 6.55 × 106 cells/mL (digestion). The process efficiencies diminished as the phagocytosed bacteria to total neutrophils ratio increased (with 50% reduction at a ratio of 3.41). Neutrophil in vivo dynamics were captured through the characterization of myelosuppressive drug effects and postinoculation neutrophil influx into lungs and by system differences (27% bacterial growth and 9.3% maximum capacity, compared with in vitro estimates). Predictions showed how the therapeutically induced reduction of neutrophil counts enabled bacterial growth, especially when falling below 0.5 × 106 cells/mL, whereas control individuals could deal with all tested bacterial burdens (up to 109 colony forming units/g lung). The model‐based characterization of neutrophil‐mediated bacterial killing simultaneously predicted data across in vitro and in vivo studies and may be used to inform the capacity of host–response at the individual level.
Electronic Structure and Magnetic Anisotropy Response of Janus Monolayer VSeTe
Authors: Asghar Mazia , Ullah Hamid , Shin Young-Han , Iqbal Muhammad Waqas , Alanazi Yousef Mohammed
Published: September 2023

Herein, the electronic and magnetic properties of the 2D Janus monolayer VSeTe are computed based on first‐principles calculations. The structure stability plays a crucial role in real application for magnetic devices; it is found that the VSeTe favors 2H structure due to non‐negative frequencies in the phonon spectra. The VSeTe monolayer possesses a semiconductor nature with a bandgap of 1.03 eV (0.85 eV) for spin‐up (down) channels. Interestingly, it is shown in the computed results that VSeTe monolayer is a magnetic semiconductor with a magnetic moment of 1.00 . Additionally, the realization of magnetic anisotropy energy can pave the way to utilize VSeTe monolayer for applications in magnetic semiconductor devices.
Pulmonary veno‐occlusive disease with vanished pulmonary consolidation
Authors: Yamasaki Kei , Iwanaga Yuto , Uryu Takumu , Sato Tomoki , Kawaguchi Takako , Nishida Chinatsu , Yatera Kazuhiro
Published: September 2023

Key message

Pulmonary veno‐occlusive disease (PVOD) is an extremely rare cause of pulmonary hypertension. Previously reported computed tomography (CT) findings of PVOD included centrilobular ground‐glass opacities, a mosaic pattern, and septal lines; however, chest CT revealing pulmonary consolidation disappearance with repositioning has not been reported.
Evolutionary dynamics on a regular networked structured and unstructured multi‐population
Authors: Baar Wouter , Stella Leonardo , Bauso Dario
Published: September 2023

In this paper, we study collective decision‐making in a multi‐population framework, where groups of individuals represent whole populations that interact by means of a regular network. Each group consists of a number of players and every player can choose between two options. A group is characterized by three variables, the first two denoting the fractions of individuals committed to each option and the last one representing the fraction of players not committed to either option. The state of every population is influenced by the state of neighboring groups. The contribution of this work is the following. First, we find explicit expressions for all the equilibrium points of the proposed system, and show that these represent equilibrium points where populations reach consensus, namely, where all populations have the same states. We also derive a sufficient condition for local asymptotic stability as well as exponential asymptotic stability. Then, we study a structured model where every population is now assumed to represent a structured complex network. We conclude the paper by providing a set of simulations that corroborate the theoretical findings.
Progress and Prospects of Silk Fibroin as an Energy Storage Material
Authors: Sarkar Supriya Sanatkumar , Kandasubramanian Balasubramanian
Published: September 2023

Demand for energy storage devices has increased the need for eco‐friendly options like silk, a common textile material which under various conditions can possess fair electrical and piezoelectric activity. Silk Fibroin (SF) shows extreme reliability as future energy storage material when employed as essential battery components by forming an enhanced solid electrolyte interface (SEI) layer and avoiding dendrite growth on electrode while retaining >99.9 % of its capacity for roughly 200 battery cycles along with conserving the electrical behavior. SF has the potential to replace quartz exhibiting a comparable piezoelectric response due to its β‐sheet composition and absence of center of symmetry in its crystalline units. This article focuses on the applications of SF and its derived engineered materials in different domains, including electric, piezoelectric, photovoltaic, and sensing. The ability of SF to be tailored into providing required functionalities expands its possibilities as green substitute for batteries, supercapacitors, solar cells, optoelectronics, and sensors.
Moderators and mediators of effects of interventions to reduce stress in hospital employees: A systematic review
Authors: Peters Martin , Klein Thomas , Stuber Felicitas , Kösters Markus , Mulfinger Nadine , Stiawa Maja , Puschner Bernd
Published: September 2023

This systematic review examines moderators and mediators tested in evaluations of stress management interventions for hospital employees to determine their significance for intervention outcomes. To be included, studies had to comprise a moderator or mediator analysis and a quantitative assessment of stress or mental well‐being, and to be published in English or German language. Five databases (APA PsycInfo, APA PsycArticles, Embase, Medline, and Web of Science) were searched. Moderators and mediators were categorised thematically and examined using effect direction plots. Study quality was assessed using RoB 2 and ROBINS‐I. In fifteen included studies, 22 moderators and ten mediators were identified. Moderators and mediators were categorised into individual psychological factors (14), socio‐economic status (6), work situation (5), intervention (3), and duration of employment (3). Two moderators (perceived stressfulness of residency, job control) had a positive, two a negative impact (spirituality, socially desirable responding). One moderator (years of professional experience) had a positive and negative impact. Three moderators measured on categorical scales (gender, profession, and shiftwork) also had effects, favouring women, physicians and night‐shift employees. Five mediators (adherence to intervention, mindfulness, non‐reactivity to inner experience, total observing, and self‐compassion) had a positive impact, while three (isolation, over‐identification, psychological inflexibility) had a negative impact. In conclusion, effects of interventions were predominantly driven by individual psychological factors, while the role of other variables seems to be limited. Interventions focussing on primary or tertiary prevention were rare. Also processes through which organisational‐level interventions can be most effective have been hardly investigated. Larger and methodologically robust studies are needed to better understand causal pathways and optimise matching of interventions to target groups.
Synergistic Inclusion Effects of Hard Magnetic Nanorods on the Magnetomechanical Actuation of Soft Magnetic Microsphere‐Based Polymer Composites
Authors: Park Jeong Eun , Kwon Seung Hyuk , Lu Qi , Choi Hyoung Jin , Wie Jeong Jae
Published: September 2023

The magnetomechanical actuation of micropillars is developed for the contactless manipulation of miniaturized actuators and microtextured surfaces. Anisotropic geometry of micropillars can significantly enhance the magnetic actuation compared with their isotropic counterparts by directional stress distributions. However, this strategy is not viable for triangular micropillars owing to insufficient anisotropy. In this study, a significant improvement in the magnetic actuation of triangular micropillars using composite magnetic particles is reported. A minute and optimal amount of hard magnetic gamma‐ferrite nanorods are hybridized with soft magnetic iron microspheres to generate synergistic effects of magnetic coupling and percolation phenomenon on the magnetic actuation of polymer composites. The addition of 1 wt% face‐centered cubic‐phased gamma‐ferrite nanorods suppresses the magnetic coupling interference of body‐centered cubic‐phased iron microspheres. Furthermore, the nanorods reduce the percolation threshold by participating in the percolation of the microspheres. A systematic compositional study on the magnetization and magnetorheological properties reveals that the coupling effect dominates the percolation effect at a low magnetic field, whereas the percolation effect governs the magnetic actuation at a high magnetic field. This hybrid approach can help in designing material constituents for effective magnetic actuators and robotic systems that can sensitively respond to an external magnetic field.
Halide Ion Mixing across Colloidal 2D Ruddlesden‐Popper Perovskites: Implication of Spacer Ligand on Mixing Kinetics
Authors: Yadav Amar Nath , Min Seonhong , Choe Hyejin , Park Jiwoo , Cho Junsang
Published: September 2023

Halide ion exchange seen in metal halide perovskites provide a substantial opportunity to control their halide composition and corresponding optoelectronic properties. Halide ion mixing across colloidal 3D perovskite nanocrystals have been extensively studied while the mixing within colloidal 2D counterparts remain underexplored. In this study, the halide ion exchange kinetics across colloidally stable 2D Ruddlesden‐Popper layered bromide (Br) and iodide (I) perovskites using two different spacer ligands such as aromatic phenethylammonium (PEA) versus linear butyammonium (BA) is demonstrated. The halide exchange kinetic rate constant (k), as determined by tracking time‐dependent absorbance changes, indicates that Br/I halide mixing in 2D PEA‐based perovskites (2.7 × 10−3 min−1) occurs at an order of magnitude slower than in 2D BA‐based perovskites (3.3 × 10−2 min−1). Concentration (≈1 mM to 100 mM) and temperature‐dependent (50 to 80 °C) kinetic studies further allow for the determination of activation barrier for halide ion mixing across the 2D layered perovskites with 75.2 ± 4.4 kJ mol−1 (2D PEA) and 57.8 ± 7.8 kJ mol−1 (2D BA), respectively. The activation energy reveals that the type of spacer cations plays a crucial role in controlling the halide ion mobility and halide stability due mainly to the internal ligand chemical interaction within 2D structures.
Qualitative software engineering research: Reflections and guidelines
Authors: Lenberg Per , Feldt Robert , Gren Lucas , Wallgren Tengberg Lars Göran , Tidefors Inga , Graziotin Daniel
Published: September 2023

Researchers are increasingly recognizing the importance of human aspects in software development. Because qualitative methods are used to explore human behavior in‐depth, we believe that studies using such methods will become more common. Existing qualitative software engineering guidelines do not cover the full breadth of qualitative methods and the knowledge on how to use them like in social sciences. The purpose of this study was to extend the software engineering community's current body of knowledge regarding available qualitative methods and their quality assurance frameworks and to provide recommendations and guidelines for their use. With the support of an epistemological argument and a survey of the literature, we suggest that future research would benefit from (1) utilizing a broader set of research methods, (2) more strongly emphasizing reflexivity, and (3) employing qualitative guidelines and quality criteria. We present an overview of three qualitative methods commonly used in social sciences but rarely seen in software engineering research, namely interpretative phenomenological analysis, narrative analysis, and discourse analysis. Furthermore, we discuss the meaning of reflexivity in relation to the software engineering context and suggest means of fostering it. Our paper will help software engineering researchers better select and then guide the application of a broader set of qualitative research methods.
Integration of a derivatization protocol and LC–MS sequential window acquisition of all theoretical mass spectra strategy for amino acid determination in human plasma
Authors: Papaioannou Varvara , Mikropoulou Eleni V. , Yanni Amalia , Karathanos Vaios , Aidini Athina , Paccou Alexandre , Halabalaki Maria
Published: September 2023

Amino acids (AAs) comprise fundamental components of the human organism since they participate in several physiological functions. Numerous methods have been developed to quantify AAs in biological fluids due to the challenges posed by matrix handling (limited sample quantities, complexity) and their physicochemical properties (protein binding, low detectability, and high polarity). This study developed and validated an LC–MS method using ion‐pairing chromatography, a sequential window acquisition of all theoretical mass spectra approach and a derivatization kit for AA analysis of physiological fluids to simultaneously quantify plasma AAs and provide data for untargeted analytical approaches. Finally, proof of concept was demonstrated through the analysis of 450 samples from a dietary intervention study with protein‐enriched wheat biscuits.
Degradation of pesticides using hybrid processes based on cavitation and photocatalysis: A review
Authors: Bagal Manisha V. , Nandgawle Bhagyesh A. , Thosar Rohan V. , Mohod Ashish V. , Gogate Parag R.
Published: September 2023

The production of pesticides and its subsequent consumption in agricultural fields have increased significantly also resulting in environmental concerns. The current review discusses the different aspects of two emerging techniques as cavitation and photocatalysis that can be effectively applied for the degradation of toxic pesticides. Governing mechanisms for the degradation have been presented followed by discussion on the effect of different parameters on the extent of degradation, also presenting guidelines for optimum selection. It has been also demonstrated that the obtained degradation can be synergistically intensified by using combined techniques with complimentary mechanisms. The discussion clearly revealed that cavitation and photocatalysis have great potential to degrade pesticides efficiently. Overall, it was demonstrated that combined technique under the optimized set of operating conditions is energy‐efficient, cost‐effective and promising technique for pesticide degradation.
The Potential of Arsenic‐based Zintl Phases as Thermoelectric Materials: Structure & Thermoelectric Properties
Authors: Islam Md. Minhajul , Kauzlarich Susan M.
Published: September 2023

Zintl phase thermoelectric materials have generated tremendous interest due to possessing structural features conducive to high thermoelectric performances. On the other hand, both arsenic and arsenic‐based compounds have become attractive in electronics due to having interesting properties like narrow bandgap, tunable carrier concentration, and non‐centrosymmetric structures. The structure of arsenic compounds plays a telling role in determining their efficiency as thermoelectric materials. They also show the scope to be doped as both p‐ and n‐type conduction providing exciting new materials with applications as a full module. These attributes make them appealing as thermoelectric materials for further research. This short review is an overview of the different structures of arsenic‐based Zintl ternary materials that have potential to be excellent thermoelectric materials.
Sharp interface analysis of a diffuse interface model for cell blebbing with linker dynamics
Authors: Nöldner Philipp , Burger Martin , Garcke Harald
Published: September 2023

We investigate the convergence of solutions of a recently proposed diffuse interface/phase field model for cell blebbing by means of matched asymptotic expansions. It is a biological phenomenon that increasingly attracts attention by both experimental and theoretical communities. Key to understanding the process of cell blebbing mechanically are proteins that link the cell cortex and the cell membrane. Another important model component is the bending energy of the cell membrane and cell cortex which accounts for differential equations up to sixth order. Both aspects pose interesting mathematical challenges that will be addressed in this work like showing non‐singularity formation for the pressure at boundary layers, deriving equations for asymptotic series coefficients of uncommonly high order, and dealing with a highly coupled system of equations.
Valuing Private Equity
Authors: Schoenmaker Dirk , Schramade Willem
Published: September 2023

Private equity funds are set up to invest in private companies for a predefined multiyear period. Private equity companies, i.e. the companies that run private equity funds, come in several types, with different goals and methods. Private equity performs an important role in funding and fostering companies that are as yet too small for the stock market and/or too risky for bank loans.

By nature, private equity is very well suited to sustainable investing since it is a fundamental form of investing with active ownership, multiyear investment horizons, and close consideration of the company’s business model and circumstances. However, in the application of sustainability considerations, private equity falls behind the public equity space. The main difficulty lies in getting the right information for the investors in private equity funds, as many of these funds are still reluctant to systematically report on environmental and social factors—although this is improving. The integrated view on private equity is again similar to the one on public equity, but with the added challenge of data and comparability.
Risk-Return Analysis
Authors: Schoenmaker Dirk , Schramade Willem
Published: September 2023

Risk-return analysis is central to financial decision-making. The basic idea is that risk-averse investors ask compensation for higher risk, in the form of a risk premium on risky assets. The key insight of portfolio theory is that a company’s risk, at least as measured by the distribution of its historical stock returns, can be split into systematic or market-wide risk and idiosyncratic risk. As idiosyncratic risk can be diversified away in a portfolio, investors are only rewarded with a risk premium for the market risk component. This is the beta of the Capital Asset Pricing Model. But historical risk-return analysis has limitations in accurately assessing current and future financial risk. We therefore explore forward-looking measures of financial risk and return. Moreover, we expand the single-factor market model to a multifactor model by adding social and environmental factors.

Yet, another step is to assess social and environmental risk in their own right, as well as their impact on integrated risk. This, in turn, allows us to estimate the cost of integrated capital, which should give corporate managers the tools to make that assessment in their investment decisions. Company examples show that integrated risk-return analysis leads to different, and more sustainable, decisions.
Capital Structure
Authors: Schoenmaker Dirk , Schramade Willem
Published: September 2023

Capital structure is about the funding side of the company’s balance sheet and enables a better understanding of a company’s risk profile and health. We start from financial capital structure, which concerns the proportions of debt and equity in proportion to each other and the company’s asset base. These can be expressed in ratios such as debt/assets. We then consider theories that explain financial capital structure, such as the Modigliani-Miller (MM) theorems. Subsequently, we consider the capital structures of environmental (E) and social (S) separately. Companies generate assets and liabilities on E and S, as they do on the financial side. The main difference is that it is typically much less clear how strong the claims against the company are, and to what extent they will materialise in financial terms. However, their presence and size give strong indications of additional risk. The analysis of the capital structures of E and S allows us to take the next step, namely the construction of an integrated capital structure, which is the capital structure of F, E, and S combined. As found in Chap. 13 on the cost of integrated capital, liabilities on S and E can make the integrated capital structure riskier than the financial capital structure and raise the cost of integrated capital.
Options
Authors: Schoenmaker Dirk , Schramade Willem
Published: September 2023

Financial options are contracts that give the owner the right to buy (in the case of a call option) or sell (in the case of a put option) a security at a pre-specified price (the exercise price). The flexibility is on the side of the buyer, but the seller is compensated with a premium paid by the buyer. Sophisticated models have been developed to determine the value of options. Options are interesting since they offer an alternative way of tying payoffs to (future) situations, also outside of contractual settings. In that case, they are called real options. Real options come in various types, such as the option to delay, the option to expand, and the option to abandon. One can analyse many situations as combinations of options, and one can visualise them with decision trees and payoff graphs for a better intuitive grasp of situations.

Real options on financial (F) factors can have environmental (E) or social (S) drivers: payoff in terms of F, but with E or S as the underlying values. There are also real options on E and S themselves, i.e. with the payoffs in terms of E and S, and possibly the underlying values as well. In fact, companies are short a lot of options against society, but awareness of it is low. The interactions between F, S, and E options call for an integrated view on options, which helps make these options and their trade-offs more explicit.
Valuing Bonds
Authors: Schoenmaker Dirk , Schramade Willem
Published: September 2023

This chapter introduces the basic types of bonds and considers their valuation. Bonds are an important source of funding for corporations. And even government bonds are relevant to companies, since the yield on government bonds serves as the risk-free rate discussed in Chap. 4. We explain the drivers of bond yields and the term structure of interest rates. Subsequently, we discuss the liquidity and credit risk of corporate bonds, including the role of ratings.

Social and environmental factors are increasingly being integrated in the valuation of corporate bonds. Studying the company’s business model is important for sustainability integration in the credit risk analysis of bonds. This chapter shows how to include a company’s adaptability to sustainability transitions into the credit risk analysis. Companies that can better adapt their business model face a lower credit risk and hence a lower cost of debt. In addition, there is innovation in the form of sustainability-linked bonds, green bonds, and social bonds to cater for sustainable investment projects.
Ill-Founded Proof Systems for Intuitionistic Linear-Time Temporal Logic
Authors: Afshari Bahareh , Grotenhuis Lide , Leigh Graham E. , Zenger Lukas
Published: September 2023

We introduce ill-founded sequent calculi for two intuitionistic linear-time temporal logics. Both logics are based on the language of intuitionistic propositional logic with ‘next’ and ‘until’ operators and are evaluated on dynamic Kripke models wherein the intuitionistic and temporal accessibility relations are assumed to satisfy one of two natural confluence properties: forward confluence in one case, and both forward and backward confluence in the other. The presented sequent calculi are cut-free and incorporate a simple form of formula nesting. Soundness of the calculi is shown by a standard argument and completeness via proof search.
Resolution Calculi for Non-normal Modal Logics
Authors: Pattinson Dirk , Olivetti Nicola , Nalon Cláudia
Published: September 2023

We present resolution calculi for the cube of classical non-normal modal logics. The calculi are based on a simple clausal form that comprises both local and global clauses. Any formula can be efficiently transformed into a small set of clauses. The calculi contain uniform rules and provide a decision procedure for all logics. Their completeness is based on a new and crucial notion of inconsistency predicate, needed to ensure the usual closure properties of maximal consistent sets. As far as we know the calculi presented here are the first resolution calculi for this class of logics.
The Logic of Separation Logic: Models and Proofs
Authors: de Boer Frank S. , Hiep Hans-Dieter A. , de Gouw Stijn
Published: September 2023

The standard semantics of separation logic is restricted to finite heaps. This restriction already gives rise to a logic which does not satisfy compactness, hence it does not allow for an effective, sound and complete axiomatization. In this paper we therefore study both the general model theory and proof theory of the separation logic of finite and infinite heaps over arbitrary (first-order) models. We show that we can express in the resulting logic finiteness of the models and the existence of both countably infinite and uncountable models. We further show that a sound and complete sequent calculus still can be obtained by restricting the second-order quantification over heaps to first-order definable heaps.
DefTab : A Tableaux System for Sceptical Consequence in Default Modal Logics
Authors: Areces Carlos , Cassano Valentin , Fervari Raul , Hoffmann Guillaume
Published: September 2023

We report on an implementation of a tableaux calculus for sceptical consequence in Default Logic built on Hybrid Modal Logic. In turn, our tool offers support for checking default consequence over formulas from Propositional Logic, Basic Modal Logic and Hybrid Logic. We develop a test suite for assessing the correctness, scalability, and efficiency of our system, and inform on the results. Interestingly, our method can be adapted to generate examples for other default provers.
Some Analytic Systems of Rules
Authors: Lang Timo
Published: September 2023

We define two simple systems of rules, i.e. calculi with a global condition on the order of rule instances in a proof, for the modal logics of shift-reflexive and Euclidean frames respectively. Cut-elimination, and therefore the subformula property, can be derived directly from the cut-elimination property of adjacent logics. We compare our system to the calculus of grafted hypersequents, which has previously been used to capture both logics.

We then discuss an attempt to obtain similar ‘modular’ cut-elimination proofs in other systems of rules. This general attempt is carried out for two more logics, namely the modal logic of serial frames and the intermediate logic axiomatised by the law of the weak excluded middle.
Cosmological phase transitions in composite Higgs models
Authors: Fujikura Kohei , Nakai Yuichiro , Sato Ryosuke , Wang Yaoduo
Published: September 2023

Abstract

We investigate cosmological phase transitions in various composite Higgs models consisting of four-dimensional asymptotically-free gauge field theories. Each model may lead to a confinement-deconfinement transition and a phase transition associated with the spontaneous breaking of a global symmetry that realizes the Standard Model Higgs field as a pseudo-Nambu-Goldstone boson. Based on the argument of universality, we discuss the order of the phase transition associated with the global symmetry breaking by studying the renormalization group flow of the corresponding linear sigma model at finite temperature, which is calculated by utilizing theϵ-expansion technique at the one-loop order. Our analysis indicates that some composite Higgs models accommodate phenomenologically interesting first-order phase transitions. We also explore the confinement-deconfinement transition in a UV-completed composite Higgs model based on a Sp(2Nc) gauge theory. It is found that the first-order phase transition is favored when the number of degrees of freedom for the Sp(2Nc) gauge field is much larger than that of matter fields in the fundamental representation of Sp(2Nc). We comment on the gravitational wave signal generated by the confinement-deconfinement transition and its detectability at future observations. Our discussions motivate further studies on phase transitions in composite Higgs models with the use of lattice simulations.