bluuebunny/crossref_metadata_2025_split huggingface dataset:
Thermodynamically consistent determination of free energies and rates in kinetic cycle models
Authors: Kenney Ian M. , Beckstein Oliver 
Published: April 2023

ABSTRACTKinetic and thermodynamic models of biological systems are commonly used to connect microscopic features to system function in a bottom-up multiscale approach. The parameters of such models—free energy differences for equilibrium properties and in general rates for equilibrium and out-of-equilibrium observables—have to be measured by different experiments or calculated from multiple computer simulations. All such parameters necessarily come with uncertainties so that when they are naively combined in a full model of the process of interest, they will generally violate fundamental statistical mechanical equalities, namely detailed balance and an equality of forward/backward rate products in cycles due to T. Hill. If left uncorrected, such models can produce arbitrary outputs that are physically inconsistent. Here we develop a maximum likelihood approach (namedmultibind) based on the so-called potential graph to combine kinetic or thermodynamic measurements to yield state resolved models that are thermodynamically consistent while being most consistent with the provided data and their uncertainties. We demonstrate the approach with two theoretical models, a generic two-proton binding site and a simplified model of a sodium/proton antiporter. We also describe an algorithm to use themultibindapproach to solve the inverse problem of determining microscopic quantities from macroscopic measurements and as an example we predict the microscopic pKas and protonation states of a small organic molecule from 1D NMR data. Themultibindapproach is applicable to any thermodynamic or kinetic model that describes a system as transitions between well-defined states with associated free energy differences or rates between these states. A Python packagemultibind, which implements the approach described here, is made publicly available under the MIT Open Source license.WHY IT MATTERSThe increase in computational efficiency and rapid advances in methodology for quantitative free energy and rate calculations has allowed for the construction of increasingly complex thermodynamic or kinetic “bottom-up” models of chemical and biological processes. These multi-scale models serve as a framework for analyzing aspects of cellular function in terms of microscopic, molecular properties and provide an opportunity to connect molecular mechanisms to cellular function. The underlying model parameters—free energy differences or rates—are constrained by thermodynamic identities over cycles of states but these identities are not necessarily obeyed during model construction, thus potentially leading to inconsistent models. We address these inconsistencies through the use of a maximum likelihood approach for free energies and rates to adjust the model parameters in such a way that they are maximally consistent with the input parameters and exactly fulfill the thermodynamic cycle constraints. This approach enables formulation of thermodynamically consistent multi-scale models from simulated or experimental measurements.
Reinstating targeted protein degradation with DCAF1 PROTACs in CRBN PROTAC resistant settings
Authors: Schröder Martin , Renatus Martin , Liang Xiaoyou , Meili Fabian , Zoller Thomas , Ferrand Sandrine , Gauter Francois , Li Xiaoyan , Sigoillot Fred , Gleim Scott , Stachyra Marie-Therese , Thomas Jason , Begue Damien , Lefeuvre Peggy , Andraos-Rey Rita , Chung BoYee , Ma Renate , Carbonneau Seth , Pinch Benika , Hofmann Andreas , Schirle Markus , Schmiedberg Niko , Imbach Patricia , Gorses Delphine , Calkins Keith , Bauer-Probst Bea , Maschlej Magdalena , Niederst Matt , Maher Rob , Henault Martin , Alford John , Ahrne Erik , Hollingworth Greg , Thomä Nicolas H. , Vulpetti Anna , Radimerski Thomas , Holzer Philipp , Thoma Claudio R. 
Published: April 2023

ABSTRACTTargeted protein degradation (TPD) of neo-substrates with proteolysis targeting chimeras (PROTACs) or molecular glues has emerged as a key modality in exploring new biology as well as designing new drug candidates where catalytic inhibition is neither efficacious nor an option. TPD is mediated through harnessing E3 ligases and redirecting them to ubiquitinatede novotarget proteins for subsequent proteasomal degradation. Until recently, E3 ligase chemical matter available for mediating TPD has been limited to a relatively low number of ligases, considering that over 600 E3 ligases are encoded by the human genome. In addition, the most utilized ligase for TPD approaches, CRBN, has been observed to be downregulated in settings of acquired resistance to immunomodulatory inhibitory drugs (IMiDs). IMiDs are molecular glues that target IKZF transcription factors to CRBN for degradation. Resistance is potentially accelerated by non-essentiality of CRBN for cell viability. Here we investigated if the essential E3 ligase receptor DCAF1 can be harnessed for TPD utilizing a potent, non-covalent DCAF1 binder. We show that this binder, selective for the CRL4DCAF1E3 ligase complex, can be functionalized into an efficient DCAF1-BRD9 PROTAC. Chemical and genetic rescue experiments confirm specific degradation via the CRL4DCAF1E3 ligase. We further highlight the versatility of DCAF1 for TPD by developing a DCAF1-dasatininb PROTAC targeting multiple cytosolic and membrane bound tyrosine kinases. We expand these findings towards Bruton’s tyrosine kinase (BTK) selective PROTACs and through extensive optimization and characterization efforts share key observations that led to a potent and selective DCAF1-BTK PROTAC (DBt-10). Finally, with this PROTAC DBt-10, we show rescue of BTK degradation in a BTK-dependent, CRBN-degradation-resistant cell line and provide a rationale for E3 ligase swap to overcome CRBN mediated resistance.
I am done now! Linking workplace incivility to job search behaviour and employee silence
Authors: Singh Lata Bajpai , Srivastava Sachitaa , Bhumika Bhumika 
Published: April 2023

PurposeRemote work has allowed IT professionals to engage in “side hustles”, which is against the law in the Indian labour market. Professionals in the IT industry are constantly being scrutinized due to the emerging “side hustling” culture, and as a result, they are frequently subjected to rude and uncivil behaviour by others. This study aims to examine the outcome of workplace incivility on the employee’s job search behaviour and their silence. Along with this, it examines the intervening effect of organizational cynicism on the interrelation of workplace incivility with job search behaviour and employee silence. It further investigates the buffering role of workplace friendship in the link between workplace incivility and organizational cynicism.Design/methodology/approachIn this study, a mixed-methods approach was used, which included testing the structural model followed by a qualitative study. In Study 1, the structural model testing of time-lagged primary data from 252 respondents who worked in information technology (IT) or information technology-enabled services was done, whereas Study 2 included a qualitative analysis.FindingsThe findings disclose that workplace incivility is positively connected to job search behaviour and employee silence. Organizational cynicism significantly intervenes in the link between workplace incivility and job search behaviour, and between workplace incivility and employee silence, whereas workplace friendship functions as a moderator in the link between workplace incivility and organizational cynicism. The findings indicate that if an employee experiences incivility at work, then workplace friendship plays an active role in encouraging the cynical behaviour of targeted employees towards their organisation.Originality/valueIn the past, investigators have investigated the concept of workplace incivility; however, to the best of the authors’ knowledge, its impact on job search behaviour is studied for the first time ever, whereas its impact on employee silence is studied for the first time in a moonlighting context in Indian industry. In light of the massive layoffs in India's IT industry because of employees' pursuit of side hustles, the results of this study will help firms better comprehend the negative repercussions of workplace incivility. These effects include employees' reluctance to speak up about problems at work and an increase in their frequency of actively seeking other employment.
Does financial development enhance the growth effect of FDI? A multidimensional analysis in emerging and developing Asia
Authors: An Thu-Ha Thi , Chen Shin-Hui , Yeh Kuo-Chun 
Published: April 2023

PurposeThis study examines the role of financial development (FD) in enhancing the growth effect of foreign direct investment (FDI) in emerging and developing Asia from 1996 to 2019.Design/methodology/approachThe study exploits the new broad-based Financial Development Index of the International Monetary Fund (IMF) and adopts panel smooth transition regression (PSTR) to perform alternative empirical models for a multidimensional analysis of the FD threshold effect in the growth–FDI nexus.FindingsThe results show two thresholds of FD mediating the nonlinear effect of FDI on growth. FD beyond a certain level will enhance the growth effect of FDI, but very high levels of FD will not induce foreign investment to benefit economic growth in emerging and developing Asian economies. The impact of financial institutions on the FDI–growth link is stronger than that of financial markets. Besides, FDI’s effect on growth has an inverted-U shape conditional on financial depth, whereas it is positively associated with the accessibility and efficiency of the financial system.Practical implicationsThese results suggest policy implications for emerging and developing Asian countries, emphasizing the other side of “too much finance” and the potential for improvement in the access to and efficiency of the financial system to boost the effects of FDI and FD in the growth of these economies.Originality/valueThe study is the first multifaceted investigation into the influence of FD on the growth effect of FDI. Beyond the previous empirical evidence showing only the impact of credit from banking sector, this study shows different mediating effects of different financial sectors and three dimensions of financing (depth, access and efficiency). The study suggests essential implications for the region in adjusting long-run policies to enhance the FDI–FD–growth link.
A fretting wear model considering formation of tribolayers
Authors: Yang Yulei , Xu Jimin , Liang Yi 
Published: April 2023

Purpose
Quantitative fretting wear prediction is of practical significance for industrial components. This study aims to establish a fretting wear model considering the formation of tribolayers and provide better fretting wear prediction.

Design/methodology/approach
Based on the characteristics for the formation of tribolayers, the ratio of fretting amplitude to nominal contact area length in the fretting direction is used to characterize their formation and contribution to the wear volume. The wear volume is then associated with the product of the friction energy and the ratio of fretting amplitude to nominal contact area length.

Findings
Better prediction in the wear volume can be achieved with the proposed fretting wear model by taking the formation of tribolayers into consideration.

Originality/value
The contribution of the formation of tribolayers to the wear volume is considered in the model and better prediction can be achieved.

Peer review
The peer review history for this article is available at: https://publons.com/publon/10.1108/ILT-01-2023-0004/
Stickiness formation among mobile apps of different social levels: multigroup analysis using the cognitive–affective–conative framework
Authors: Zhou Xingchen , Rau Pei-Luen Patrick , Jie Zhuoni 
Published: April 2023

PurposeThis study aims to reveal how mobile app stickiness is formed and how the stickiness formation process differs for apps of different social levels.Design/methodology/approachThis study proposed and validated a stickiness formation model following the cognitive–affective–conative framework. Data were collected from surveys of 1,240 mobile app users and analyzed using structural equation modeling. Multigroup analysis was applied to contrast the stickiness formation process among apps of different social levels.FindingsThis study revealed a causal link between cognitive, affective and conative factors. It found partial mediation effects of trust in the association between perceptions and satisfaction, and the full mediation role of satisfaction and personal investment (PI) in the effects of subjective norm (SN) on stickiness. The multigroup analysis results suggested that social media affordances benefit stickiness through increased PI and strengthened effects of SN on PI. However, it damages stickiness through increased perceived privacy risk (PPR), decreased trust and strengthened effects of PPR on trust.Originality/valueThis study contributes to both stickiness scholars and practitioners, as it builds a model to understand the stickiness formation process and reveals the effects of the “go social” strategy. The novelty of this study is that it examined social influences, considered privacy issues and revealed two mediation mechanisms. The findings can guide the improvement of mobile app stickiness and the application of the “go social” strategy.
The effect of physical education teaching style on exercise habits of college students
Authors: Xu Haibo , Albattat Ahmad , Phuoc Jeong Chun , Wang Baogui 
Published: April 2023

PurposeThe purpose of this study is that the teaching style of college physical education (PE) teachers affects the establishment of college students' exercise habits.Design/methodology/approachThis study uses the teaching style scale for 32 PE teachers and the autonomic motivation and exercise habits scale for 320 college students in the form of self-report.FindingsChinese college PE teachers mainly use the teacher-centered reproduction style, and the practice style is the most frequently used; The overall teaching style of college PE teachers was significantly negatively correlated with autonomous motivation and exercise habits. PE teachers' teaching style can negatively affect college students' autonomous motivation, and college students' autonomous motivation can positively affect their exercise habits.Originality/valueThere is a significant negative correlation between the teaching style of college PE teachers and the exercise habits of college students. However, it cannot directly affect the establishment of college students' exercise habits, but is achieved through the mediating role of college students' autonomous motivation.
Close your eyes and open your mind: how closed eyes affect evaluations of utilitarian and hedonic advertising appeals
Authors: Lee Younghwa , Bakpayev Marat , Yoon Sukki , Kim Kacy 
Published: April 2023

Purpose
Drawing on embodied cognition and construal level theory perspectives in marketing literature, the purpose of this study is to propose that closed eyes make events appear distant and increase high-level construal and abstract processing, whereas opened eyes make events appear near and increase low-level construal and concrete processing. The authors further argue that high (low) construal level induced by closed (open) eyes increases favoritism toward utilitarian (hedonic) appeals.

Design/methodology/approach
Drawing on embodied cognition and construal level theory, the authors conduct three studies to investigate how consumers form varying distance perceptions and attitudes toward advertising appeals depending on whether they open or close their eyes while contemplating the messages. In Study 1, the authors tested the effects of an advertisement featuring utilitarian versus hedonic appeals in a food waste reduction campaign. In Study 2, the authors tested the effects of an advertisement stressing utilitarian versus hedonic aspects of a brand of travel products. In Study 3, the authors tested the effects of an advertisement for hotel reward products depending on consumption motivations.

Findings
The studies support the hypothesis by showing that when individuals close their eyes, they form abstract processing styles (high-level construal), perceive events as more distant and increase preferences for utilitarian advertising appeals; when they open their eyes, they form concrete processing styles (low-level construal), perceive events as nearer and indicate preferences for hedonic advertising appeals.

Originality/value
The novel insight of this study shows how bodily sensations may affect various types of hedonic and utilitarian advertising appeals. This study contributes to the embodied cognition and construal level literature, but the contribution of this study is particularly important for marketers and advertisers in that the authors show interactions between open or closed eyes, hedonic or utilitarian product aspects and processing styles.
Distributed leadership and teachers' emotional labour: the mediating role of teacher autonomy
Authors: Özdemir Murat , Buyukgoze Hilal , Akman Yener , Topaloğlu Hakan , Çiftçi Kenan 
Published: April 2023

PurposeTeachers' expressing candid and natural emotions during teaching and learning processes is of vital importance for the quality and content of education. Because of that reason, it is necessary to explore factors that have a role in teachers' emotional labour. Therefore, the current study aims to test a novel model developed to explore the direct and indirect relations among distributed leadership, teacher autonomy and emotional labour.Design/methodology/approachThe study data came from 1,007 teachers working at 81 state high schools located in 12 different regions in Turkey. To test the proposed model, the authors conducted a mediation analysis of structural equation modelling.FindingsThe analysis confirms that teacher autonomy is a prominent mediator in the relationship between distributed leadership and emotional labour.Originality/valueThis study is expected to contribute to the body of research focusing on the effects of leadership on teachers' emotional labour.
Consumer behavior of mobile food ordering app users during COVID-19: dining attitudes, e-satisfaction, perceived risk, and continuance intention
Authors: Timur Beybala , Oğuz Yasin Emre , Yilmaz Veysel 
Published: April 2023

Purpose
Mobile food ordering apps (MFOAs) became more popular, thanks to social distancing regulations during the COVID-19 outbreak. People started to order food using these apps more than usual. As customers seem happy to use these apps, there is always a risk of spreading infection. These facts inevitably shape customer intentions. Therefore, this study aims to empirically assess the MFOA user dining attitudes (DA), e-satisfaction (ES) and continuance intention (CI) regarding the perceived risk (PR) during the COVID-19 pandemic in Türkiye.

Design/methodology/approach
This study used structural equation modelling (SEM) in the expectation confirmation theory and technology acceptance model. Data collection instruments were derived from existing literature, and 625 questionnaires were collected via online surveys. The data collection instrument consisted of eight parts that aimed to gather information about participants’ demographics, expectation confirmation, perceived ease of use, perceived usefulness, ES, PR and CI.

Findings
Results showed significant relationships between ES, DA, PR and CI. The most remarkable finding is that while ES influences customers to reuse MFOAs, PR causes a decrease in CI.

Originality/value
This study model broadened the existing MFOA study models by adding risk factors. Also, it made a valuable contribution to emerging MFOA literature both in Türkiye and the world.
Corporate profitability and effective tax rate: the moderating role of board gender diversity
Authors: Alkurdi Amneh , Almarayeh Taha , Bataineh Hanady , Al Amosh Hamzeh , Khatib Saleh F.A. 
Published: April 2023

Purpose
This paper aims to investigate the relationship between corporate profitability (CP) and effective tax rate (ETR) and to examine whether this relationship is moderated by board gender diversity (BGD).

Design/methodology/approach
The multivariate regression analysis was conducted to test the relationship between related variables. This study used sample of 70 Jordanian firms listed on the Amman Stock Exchanges for the period 2013 – 2020.

Findings
The results show a negative relationship between CP and ETR. Furthermore, the moderating variable BGD changes the strength and the sign, from a negative to a positive influence, of the relationship between CP and ETR.

Originality/value
To the best of the authors' knowledge, this study is among the first that provides empirical evidence regarding the relationship between CP and ETR in the light of BGD. Further, this study provides new and important insights that are not evident from the previous literature.
The impact of IFRS adoption on Saudi Arabia
Authors: Tlemsani Issam , Mohamed Hashim Mohamed Ashmel , Matthews Robin 
Published: April 2023

Purpose
This study aims to examine the implementation of International Financial Reporting Standards (IFRS) in Saudi Arabia. It investigates how the adoption of IFRS has affected four critical areas in the financial statements of publicly listed companies: profit and loss statement, balance sheet, cash flow statement and retained equity statement in Saudi Arabia. The paper also explores the essential factors/drivers that influence the adoption of IFRS and its implication in Saudi Arabia.

Design/methodology/approach
Data was obtained from Saudi Stock Exchange (Tadawul) listed companies from eleven industries in Saudi Arabia. This cross-sectional study analyses critical financial data across eleven distinctive industries. To identify the impact of adopting IFRS, the researchers use a paired t-test to evaluate seven key elements of financial statements underlying the critical areas: non-current asset, current asset, total assets, shareholders equity, non-current liability, current liability and total liability. The sample captures cross-sectional data from well-developed global industries in Saudi Arabia, pre- and post-implementation of IFRS. Thus, the analysis of the sample data gives a representative picture of the population of the Saudi Arabian industry.

Findings
The results reveal significant differences between GAAP and IFRS reporting standards in the measurement, recognition and classification of non-current assets and liabilities. The differences are expressed in the variance between the GAAP and IFRS. Specifically, the differences between GAAP and IFRS demonstrated by the t-value are significant and reliable (respectively, 5.3 and 4.1). Additionally, the t-value is validated by the p-value, which in both was significant.

Research limitations/implications
The outcomes of this research will benefit accounting information users, practitioners, researchers and regulators. Since Saudi Arabia’s policymakers have mandated the full adoption of IFRS in financial reporting, the study contributes to the adoption of IFRS practices throughout the Saudi industry. Adopting full IFRS standards requires widespread IFRS expertise to cope with the transition.

Originality/value
This study advances research into the perennial issues associated with changes in reporting towards IFRS standards, especially in Saudi Arabia. The contribution to theory and practice enters new and fruitful areas.