bluuebunny/crossref_metadata_2025 huggingface dataset:
Singular effect of interfacial slip for an otherwise stable two-layer shear flow: analysis and computations
Authors: Papageorgiou D. T. , Tanveer S.
Published: April 2023

We consider instability of the flat interface in a two-layer Couette flow model developed earlier (Kalogirou & Papageorgiou, 2016,
J. Fluid Mech.
802
, 5–36; Katsiavria & Papageorgiou, 2022,
Wave Motion
114
, 103018. (
doi:10.1016/j.wavemoti.2022.103018
)) for a thin layer near one of the walls. For the case when the less viscous fluid resides next to the moving wall, we find that even a small slip effect at the interface can destabilize an otherwise highly stable flow to the Turing-type instability. The singular effect of small slip in an otherwise very stable configuration may have important ramifications in physical and technological applications. The neutral points of the dispersion relation give rise to travelling wave solutions that are continued to finite amplitude numerically and their linear stability properties identified for a set of parameter values for disturbances that include subharmonic modes with twice the wavelength of the nonlinear travelling wave. We determined Hopf and regular bifurcation points of travelling waves and rigorously justified their existence for some set of parameter values. Weakly nonlinear analysis close to bifurcation from a flat state is also presented for small amplitude waves in general. We also present global existence and regularity results for periodic initial conditions without any restriction on parameters.
Genomics of severe and treatment-resistant obsessive-compulsive disorder treated with deep brain stimulation: a preliminary investigation
Authors: Chen Long Long , Naesström Matilda , Halvorsen Matthew , Fytagoridis Anders , Mataix-Cols David , Rück Christian , Crowley James J. , Pascal Diana
Published: April 2023

Individuals with severe and treatment-resistant obsessive-compulsive disorder (trOCD) represent a small but severely disabled group of patients. Since trOCD cases eligible for deep brain stimulation (DBS) probably comprise the most severe end of the OCD spectrum, we hypothesize that they may be more likely to have a strong genetic contribution to their disorder. Therefore, while the worldwide population of DBS-treated cases may be small (∼300), screening these individuals with modern genomic methods may accelerate gene discovery in OCD. As such, we have begun to collect DNA from trOCD cases who qualify for DBS, and here we report results from whole exome sequencing and microarray genotyping of our first five cases. All participants had previously received DBS in the bed nucleus of stria terminalis (BNST), with two patients responding to the surgery and one showing a partial response. Our analyses focused on gene-disruptive rare variants (GDRVs; rare, predicted-deleterious single-nucleotide variants or copy number variants overlapping protein-coding genes). Three of the five cases carried a GDRV, including a missense variant in the ion transporter domain ofKCNB1, a deletion at 15q11.2, and a duplication at 15q26.1. TheKCNB1variant (hg19 chr20-47991077-C-T, NM_004975.3:c.1020G>A, p.Met340Ile) causes substitution of methionine for isoleucine in the trans-membrane region of neuronal potassium voltage-gated ion channel KV2.1. ThisKCNB1substitution (Met340Ile) is located in a highly constrained region of the protein where other rare missense variants have previously been associated with neurodevelopmental disorders. The patient carrying the Met340Ile variant responded to DBS, which suggests that genetic factors could potentially be predictors of treatment response in DBS for OCD. In sum, we have established a protocol for recruiting and genomically characterizing trOCD cases. Preliminary results suggest that this will be an informative strategy for finding risk genes in OCD.
Utility of Technology in the Treatment of Type 1 Diabetes: Current State of the Art and Precision Evidence
Authors: Jacobsen Laura M. , Sherr Jennifer L. , Considine Elizabeth , Chen Angela , Peeling Sarah , Hulsmans Margo , Charleer Sara , Urazbayeva Marzhan , Tosur Mustafa , Alamarie Selma , Redondo Maria J. , Hood Korey K. , Gottlieb Peter A. , Gillard Pieter , Wong Jessie J. , Hirsch Irl B. , Pratley Richard E. , Laffel Lori , Mathieu Chantal
Published: April 2023

The greatest change in the treatment of people living with type 1 diabetes in the last decade has been the explosion of technology assisting in all aspects of diabetes therapy, from glucose monitoring to insulin delivery and decision making. Through screening of 835 peer-reviewed articles followed by systematic review of 70 of them (focusing on randomized trials and extension studies with ≥50 participants from the past 10 years), we conclude that novel technologies, ranging from continuous glucose monitoring systems, insulin pumps and decision support tools to the most advanced hybrid closed loop systems, improve important measures like HbA1c, time in range, and glycemic variability, while reducing hypoglycemia risk. Several studies included person-reported outcomes, allowing assessment of the burden or benefit of the technology in the lives of those with type 1 diabetes, demonstrating positive results or, at a minimum, no increase in self-care burden compared with standard care. Important limitations of the trials to date are their small size, the scarcity of pre-planned or powered analyses in sub-populations such as children, racial/ethnic minorities, people with advanced complications, and variations in baseline glycemic levels. In addition, confounders including education with device initiation, concomitant behavioral modifications, and frequent contact with the healthcare team are rarely described in enough detail to assess their impact. Our review highlights the potential of technology in the treatment of people living with type 1 diabetes and provides suggestions for optimization of outcomes and areas of further study for precision medicine-directed technology use in type 1 diabetes.

Preface (Lay Abstract)

We reviewed literature of the last decade to evaluate the impact of technology on the treatment of people living with type 1 diabetes. Screening of 835 articles and in-depth review of 70 showed that novel technologies, ranging from continuous glucose monitoring systems, insulin pumps and decision support tools to the most advanced hybrid closed loop systems, improve important measures like HbA1c and time in range, while reducing hypoglycemia risk. Of importance, several studies showed a positive impact on person-reported outcomes, like quality of life or, at a minimum, no increase in self-care burden compared with standard care.
Impacts of heat stress and its mitigation by capsaicin in health status and digestive enzymes in house sparrows (Passer domesticus)
Authors: Cacace Julia , Marinone Guido Fernández , Cid Fabricio Damián , Chediack Juan Gabriel
Published: April 2023

Heatwaves and warm spells at global level, product of climate change, causes alterations on homeostasis in animals (heat stress), so they must respond to these changes in order to survive. The response involves several physiological changes, such as releasing of glucocorticoids and catecholamines, to restore homeostasis. Due the lack of knowledge on this subject in wild birds, the objective of the present work was study the effect of heat stress on body condition and digestive system in house sparrows (Passer domesticus), as well as a possible role of capsaicin as a dietary additive in mitigating heat stress. In this work, we measure heterophils/lymphocytes ratio (as proxy of stress), body mass, hematocrit, uric acid and digestive enzymes (intestinal and pancreatic) under stress conditions at 32°±2 °C and under normal conditions at 22°±2 °C. In addition, we evaluate the effect of capsaicin in both situations (heat stress at 32°C and normal condition 22°C). We found an increase of H/L ratio and uric acid in plasma under heat stress, and decrease of H/L ratio with capsaicin on animals exposed to heat stress. Although a loss of intestinal mass was observed in animals exposed at 32°C, digestive enzyme activity does not change under heat stress or under capsaicin administration. Improving knowledge in this field is relevant at the level of animal nutrition and veterinary medicine, reducing the stress of wild birds in captivity and improving dietary mixes for future global warming scenarios.
DESpace: spatially variable gene detection via differential expression testing of spatial clusters
Authors: Cai Peiying , Robinson Mark D , Tiberi Simone
Published: April 2023

Motivation

Spatially resolved transcriptomics (SRT) enables scientists to investigate spatial context of mRNA abundance, including identifying spatially variable genes (SVGs), i.e., genes whose expression varies across the tissue. Although several methods have been proposed for this task, native SVG tools cannot jointly model biological replicates, or identify the key areas of the tissue affected by spatial variability.

Results

Here, we introduceDESpace, a framework, based on an original application of existing methods, to discover SVGs. In particular, our approach inputs all types of SRT data, summarizes spatial information via spatial clusters, and identifies spatially variable genes by performing differential gene expression testing between clusters. Furthermore, our framework can identify (and test) the main cluster of the tissue affected by spatial variability; this allows scientists to investigate spatial expression changes in specific areas of interest. Additionally,DESpaceenables joint modelling of multiple samples (i.e., biological replicates); compared to inference based on individual samples, this approach increases statistical power, and targets SVGs with consistent spatial patterns across replicates. Overall, in our benchmarks,DESpacedisplays good true positive rates, controls for false positive and false discovery rates, and is computationally efficient.

Availability and implementation

DESpaceis freely distributed as a Bioconductor R package.
Loss of ASD-Related Molecule Cntnap2 Affects Colonic Motility in Mice
Authors: Robinson Beatriz G. , Oster Beau A. , Robertson Keiramarie , Kaltschmidt Julia A.
Published: April 2023

Gastrointestinal (GI) symptoms are highly prevalent among individuals with autism spectrum disorder (ASD), but the molecular link between ASD and GI dysfunction remains poorly understood. The enteric nervous system (ENS) is critical for normal GI motility and has been shown to be altered in mouse models of ASD and other neurological disorders. Contactin-associated protein-like 2 (Cntnap2) is an ASD-related synaptic cell-adhesion molecule important for sensory processing. In this study, we examine the role of Cntnap2 in GI motility by characterizing Cntnap2’s expression in the ENS and assessing GI function inCntnap2mutant mice. We find Cntnap2 expression predominately in enteric sensory neurons. We further assessin-vivoandex-vivoGI motility inCntnap2mutants and show altered transit time and colonic motility patterns. The overall organization of the ENS appears undisturbed. Our results suggest that Cntnap2 plays a role in GI function and may provide a molecular link between ASD and GI dysfunction.
Comparing data-driven physiological denoising approaches for resting-state fMRI: Implications for the study of aging
Authors: Golestani Ali M , Chen J. Jean
Published: April 2023

Physiological nuisance contributions by cardiac and respiratory signals has a significant impact on resting-state fMRI data quality. As these physiological signals are often not recorded, data-driven denoising methods are commonly used to estimate and remove physiological noise from fMRI data. To investigate the efficacy of these denoising methods, one of the first steps is to accurately capture the cardiac and respiratory signals, which requires acquiring fMRI data with high temporal resolution. In this study, we used such high-temporal resolution fMRI data to evaluate the effectiveness of several data-driven denoising methods, including global-signal regression (GSR), white matter and cerebrospinal fluid regression (WM-CSF), anatomical (aCompCor) and temporal CompCor (tCompCor), ICA-AROMA. Our analysis focused on each method’s ability to remove cardiac and respiratory signal power, as well as its ability to preserve low-frequency signals and age-related functional connectivity (fcMRI) differences. Our findings revealed that ICA-AROMA and GSR consistently remove more heart-beat and respiratory frequencies, but also the most low-frequency signals. Our results confirm that the ICA-AROMA and GSR removed the most physiological noise at the expense of meaningful age-related fcMRI differences. On the other hand, aCompCor and tCompCor seem to provide a good balance between removing physiological signals and preserving fcMRI information. Lastly, methods differ in performance on young- and older-adult data sets. While this study cautions direct comparisons of fcMRI results based on different denoising methods in the study of aging, it also informs the choice of denoising method for broader fcMRI applications.
The hagfish genome and the evolution of vertebrates
Authors: Marlétaz Ferdinand , Timoshevskaya Nataliya , Timoshevskiy Vladimir , Simakov Oleg , Parey Elise , Gavriouchkina Daria , Suzuki Masakazu , Kubokawa Kaoru , Brenner Sydney , Smith Jeramiah , Rokhsar Daniel S.
Published: April 2023

As the only surviving lineages of jawless fishes, hagfishes and lampreys provide a critical window into early vertebrate evolution. Here, we investigate the complex history, timing, and functional role of genome-wide duplications in vertebrates in the light of a chromosome-scale genome of the brown hagfishEptatretus atami. Using robust chromosome-scale (paralogon-based) phylogenetic methods, we confirm the monophyly of cyclostomes, document an auto-tetraploidization (1RV) that predated the origin of crown group vertebrates ∼517 Mya, and establish the timing of subsequent independent duplications in the gnathostome and cyclostome lineages. Some 1RVgene duplications can be linked to key vertebrate innovations, suggesting that this early genomewide event contributed to the emergence of pan-vertebrate features such as neural crest. The hagfish karyotype is derived by numerous fusions relative to the ancestral cyclostome arrangement preserved by lampreys. These genomic changes were accompanied by the loss of genes essential for organ systems (eyes, osteoclast) that are absent in hagfish, accounting in part for the simplification of the hagfish body plan; other gene family expansions account for hagfishes’ capacity to produce slime. Finally, we characterise programmed DNA elimination in somatic cells of hagfish, identifying protein-coding and repetitive elements that are deleted during development. As in lampreys, the elimination of these genes provides a mechanism for resolving genetic conflict between soma and germline by repressing germline/pluripotency functions. Reconstruction of the early genomic history of vertebrates provides a framework for further exploration of vertebrate novelties.
ATP-induced crosslinking of a biomolecular condensate
Authors: Coupe Sebastian , Fakhri Nikta
Published: April 2023

DEAD-box helicases are important regulators of biomolecular condensates. However, the mechanisms through which these enzymes affect the dynamics of biomolecular condensates have not been systematically explored. Here, we demonstrate the mechanism by which mutation of a DEAD-box helicase’s catalytic core alters ribonucleoprotein condensate dynamics in the presence of ATP. Through altering RNA length within the system, we are able to attribute the altered biomolecular dynamics and material properties to physical crosslinking of RNA facilitated by the mutant helicase. These results suggest the mutant condensates approach a gel transition when RNA length is increased to lengths comparable to eukaryotic mRNA. Lastly, we show that this crosslinking effect is tunable with ATP concentration, uncovering a system whose RNA mobility and material properties vary with enzyme activity. More generally, these findings point to a fundamental mechanism for modulating condensate dynamics and emergent material properties through nonequilibrium, molecular-scale interactions.

Significance

Biomolecular condensates are membraneless organelles which organize cellular biochemistry. These structures have a diversity of material properties and dynamics which are crucial to their function. How condensate properties are determined by biomolecular interactions and enzyme activity remain open questions. DEAD-box helicases have been identified as central regulators of many protein-RNA condensates, though their specific mechanistic roles are ill-defined. In this work, we demonstrate that a DEAD-box helicase mutation crosslinks condensate RNA in an ATP-dependent fashion via protein-RNA clamping. Protein and RNA diffusion can be tuned with ATP concentration, corresponding to an order of magnitude change in condensate viscosity. These findings expand our understanding of control points for cellular biomolecular condensates that have implications for medicine and bioengineering.
Nuclear NFκB Activity Balances Purine Metabolism in Cellular Senescence
Authors: Tabata Sho , Matsuda Keita , Nagai Kenshiro , Izumi Yoshihiro , Takahashi Masatomo , Motomura Yasutaka , Nagasato Ayaka Ichikawa , Shimma Shuichi , Moro Kazuyo , Bamba Takeshi , Okada Mariko
Published: April 2023

Upregulation of nuclear factor κB (NFκB) signaling is a hallmark of aging and major cause of age-related chronic inflammation; however, its physiological functions and mechanisms remain unclear. By combining mathematical modeling and experiments, we show that dysfunction of negative feedback regulators of NFκB, IκBα and A20, alters the NFκB nuclear dynamics from oscillatory to sustained, promoting cellular senescence by remodeling epigenetic regulation and metabolic landscape. Sustained NFκB activity by IκBα downregulation enhanced inflammation- and senescence-associated gene expression through increased NFκB-DNA binding and slowed the cell cycle by upregulating purine catabolism via mTORC2/AKT pathways. Notably, IκBα knockdown combined with A20 overexpression resulted in lower NFκB amplitude, cytokine expression, and SA-β-gal activity than IκBα knockdown alone. IκBα downregulation is correlated with hypoxanthine phosphoribosyltransferase 1 (HPRT1) expression in the purine salvage pathway in aged mouse hearts. Our study suggests that nuclear NFκB homeostasis is critical for balancing purine metabolism associated with chronic inflammation and tissue aging.
The interplay between biomolecular assembly and phase separation
Authors: Bartolucci Giacomo , Haugerud Ivar S. , Michaels Thomas C.T. , Weber Christoph A.
Published: April 2023

Many biological functions and dysfunctions rely on two fundamental processes, molecular assembly and the formation of condensed phases such as biomolecular condensates. Condensed phases generally form via phase separation, while molecular assemblies are clusters of molecules of various sizes, shapes, and functionality. We developed a theory that relies on thermodynamic principles to understand the interplay between molecular assembly and phase separation. We propose two prototypical classes of protein interactions and characterize their different equilibrium states and relaxation dynamics. We obtain results consistent with recent in vitro experimental observations of reconstituted proteins, including anomalous size distribution of assemblies, the gelation of condensed phases, and the change in condensate volume during ageing. Our theory provides the framework to unravel the mechanisms underlying physiological assemblies essential for cellular function, and aberrant assemblies which are associated with several neurodegenerative disorders.
Growth consequences of the inhomogeneous organization of the bacterial cytoplasm
Authors: van Heerden Johan H. , Berkvens Alicia , de Groot Daan H. , Bruggeman Frank J.
Published: April 2023

In many bacteria, translating ribosomes are excluded from the nucleoid, while amino-acid and energy-supplying metabolic enzymes spread evenly throughout the cytoplasm. Here we show with time-lapse fluorescence microscopy that this inhomogeneous organisation of the cytoplasm can cause singleEscherichia colicells to experience an imbalance between biosynthesis and metabolism when they divide, resulting in cell size-dependent growth rate perturbations. After division, specific growth rate and ribosome concentration correlates negatively with birthsize, and positively with each other. These deviations are compensated during the cell-cycle, but smaller-than-average cells do so with qualitatively different dynamics than larger-thanaverage cells. A mathematical model of cell growth, division and regulation of biosynthetic and metabolic resource allocation reproduces our experimental findings, suggesting a simple mechanism through which long-term growth rate homeostasis is maintained while heterogeneity is continuously generated. This work shows that the life of single bacterial cells is intrinsically out-of-steady-state, dynamic and reliant on cytoplasmic organization.

Popular summary

Classical, population-level studies of the metabolism and growth of bacteria indicate that the average cell in a growing population operates at steady state and can be viewed as an homogeneous ‘bag of enzymes’. Here we show that this view does not capture the lives of single cells. At birth, they are perturbed from the steady state of their mother cell after which they need their entire cell cycle to return to this state by active regulation. Then they divide and their daughters are perturbed again; a never ending cycle that is inescapable and akin to a Sisyphean task. This behaviouremerges from the delicate interplay of the intrinsic randomness of (uneven) cell division, the inhomogeneous localisation of metabolic and ribosomal proteins in the cell, unbalanced metabolism, and compensatory steering of gene expression.
A palmitoyl transferase chemical genetic system to map ZDHHC-specificS-acylation
Authors: Ocasio Cory A. , Baggelaar Marc P. , Sipthorp James , de la Lastra Ana Losada , Volarić Jana , Soudy Christelle , Storck Elisabeth M. , Palma-Duran Susana A. , MacRae James I. , Tomic Goran , Carr Lotte , Downward Julian , Eggert Ulrike S. , Tate Edward W.
Published: April 2023

The 23 human ZDHHCS-acyltransferases catalyze long-chainS-acylation at cysteine residues across an extensive network of hundreds of proteins important for normal physiology or dysregulated in disease. Here we present a technology platform to directly map the protein substrates of a specific ZDHHC for the first time at the whole proteome level, in intact cells. Structure-guided engineering of paired ZDHHC ‘hole’ mutants and ‘bumped’ chemically tagged fatty acid probes enabled probe transfer to specific protein substrates with excellent selectivity over wild type ZDHHCs. Chemical genetic systems were exemplified for five ZDHHCs (3, 7, 11, 15 and 20), and applied to generate the firstde novoZDHHC substrate profiles, identifying >300 unique and shared substrates across multiple cell lines andS-acylation sites for novel functionally diverse substrates. We expect that this powerful and versatile platform will open a new window onS-acylation biology for a wide range of models and organisms.
Fine Tuning Rigid Body Docking Results Using the Dreiding Force Field: A Computational Study of 36 Known Nanobody-Protein Complexes
Authors: Hacisuleyman Aysima , Erman Burak
Published: April 2023

This paper aims to understand the binding strategies of a nanobody-protein pair by studying known complexes. Rigid body protein-ligand docking programs produce several complexes, called decoys, which are good candidates with high scores of shape complementarity, electrostatic interactions, desolvation, buried surface area, and Lennard-Jones potentials. It is not known which decoy represents the true structure. We studied thirty-seven nanobody-protein complexes from the Single Domain Antibody Database, sd-Ab DB,http://www.sdab-db.ca/. For each structure, a large number of decoys are generated using the Fast Fourier Transform algorithm of the software ZDOCK. The decoys were ranked according to their target protein-nanobody interaction energies, calculated by using the Dreiding Force Field, with rank 1 having the lowest interaction energy. Out of thirty-six PDB structures, twenty-five true structures were predicted as rank 1. Eleven of the remaining structures required Ångstrom size rigid body translations of the nanobody relative to the protein to match the given PDB structure. After the translation the Dreiding interaction (DI) energies of all complexes decreased and became rank 1. In one case, rigid body rotations as well as translations of the nanobody were required for matching the crystal structure. We used a Monte Carlo algorithm that randomly translates and rotates the nanobody of a decoy and calculates the DI energy. Results show that rigid body translations and the DI energy are sufficient for determining the correct binding location and pose of ZDOCK created decoys. A survey of the sd-Ab DB showed that each nanobody makes at least one salt bridge with its partner protein, indicating that salt bridge formation is an essential strategy in nanobody-protein recognition. Based on the analysis of the thirty-six crystal structures and evidence from existing literature, we propose a set of principles that could be used in the design of nanobodies.
The transition from vision to language: distinct patterns of functional connectivity for sub-regions of the visual word form area
Authors: Yablonski Maya , Karipidis Iliana I. , Kubota Emily , Yeatman Jason D.
Published: April 2023

Reading entails transforming visual symbols to sound and meaning. This process depends on specialized circuitry in the visual cortex, the Visual Word Form Area (VWFA). Recent findings suggest that this word-selective cortex comprises at least two distinct subregions: the more posterior VWFA-1 is sensitive to visual features, while the more anterior VWFA-2 processes higher level language information. Here, we explore whether these two subregions exhibit different patterns of functional connectivity, and whether these patterns have relevance for reading development. We address these questions using two complementary datasets: Using the Natural Scenes Datasets (NSD; Allen et al, 2022) we identify word-selective responses in high-quality 7T individual adult data (N=8; 6 females), and investigate functional connectivity patterns of VWFA-1 and VWFA-2 at the individual level. We then turn to the Healthy Brain Network (HBN; Alexander et al., 2017) database to assess whether these patterns a) replicate in a large developmental sample (N=224; 98 females, age 5-21y), and b) are related to reading development. In both datasets, we find that VWFA-1 is more strongly correlated with bilateral visual regions including ventral occipitotemporal cortex and posterior parietal cortex. In contrast, VWFA-2 is more strongly correlated with language regions in the frontal and lateral parietal lobes, particularly bilateral inferior frontal gyrus (IFG). Critically, these patterns do not generalize to adjacent face-selective regions, suggesting a unique relationship between VWFA-2 and the frontal language network. While connectivity patterns increased with age, no correlations were observed between functional connectivity and reading ability. Together, our findings support the distinction between subregions of the VWFA, and portray the functional connectivity patterns of the reading circuitry as an intrinsic stable property of the brain.
Proton-transfer salts of diphenylphosphinic acid with substituted 2-aminopyridine: crystal structure, spectroscopic and DFT studies
Authors: Yuan Haokun , Zhang Ran , Hu Kai , Fang Ruiqin
Published: April 2023

Three proton-transfer salts of diphenylphosphinic acid (DPPA) with 2-amino-5-(X)-pyridine (AMPY, X = Cl, CN or CH3), namely, 2-amino-5-chloropyridinium diphenylphosphinate, C5H6ClN2
+·C12H10O2P− (1, X = Cl), 2-amino-5-cyanopyridinium diphenylphosphinate, C6H6N3
+·C12H10O2P− (2, X = CN), and 2-amino-5-methylpyridinium diphenylphosphinate, C6H9N2
+·C12H10O2P− (3, X = CH3), have been synthesized and characterized by FT–IR and 1H NMR spectroscopy, and X-ray crystallography. The crystal structures of compounds 1–3 were determined in the space group P-1 for 1 and 2, and C2/c for 3. All three compounds contain N—H...O hydrogen-bonding interactions due to proton transfer from the O=P—OH group of DPPA as donor to the pyridine N atom of AMPY as acceptor. The proton transfer of compounds 1–3 was also verified by 1H NMR and FT–IR spectroscopy. The stoichiometry of all three proton-transfer salts was determined to be 1:1 and the Benesi–Hildebrand equation was applied to determine the formation constant (K
CT) and the molar extinction coefficient (ɛCT) in each case. Theoretical density functional theory (DFT) calculations were performed to investigate the optimized geometries, the molecular electrostatic potentials (MEP) and the highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) of all three proton-transfer salts. The results showed good agreement between the experimental data and the DFT computational analysis.
The catalytic domains of Streptococcus mutans glucosyltransferases: a structural analysis
Authors: Schormann Norbert , Patel Manisha , Thannickal Luke , Purushotham Sangeetha , Wu Ren , Mieher Joshua L. , Wu Hui , Deivanayagam Champion
Published: April 2023

Streptococcus mutans, found in the human oral cavity, is a significant contributor to the pathogenesis of dental caries. This bacterium expresses three genetically distinct types of glucosyltransferases named GtfB (GTF-I), GtfC (GTF-SI) and GtfD (GTF-S) that play critical roles in the development of dental plaque. The catalytic domains of GtfB, GtfC and GtfD contain conserved active-site residues for the overall enzymatic activity that relate to hydrolytic glycosidic cleavage of sucrose to glucose and fructose, release of fructose and generation of a glycosyl-enzyme intermediate in the reducing end. In a subsequent transglycosylation step, the glucosyl moiety is transferred to the nonreducing end of an acceptor to form a growing glucan polymer chain made up of glucose molecules. It has been proposed that both sucrose breakdown and glucan synthesis occur in the same active site of the catalytic domain, although the active site does not appear to be large enough to accommodate both functions. These three enzymes belong to glycoside hydrolase family 70 (GH70), which shows homology to glycoside hydrolase family 13 (GH13). GtfC synthesizes both soluble and insoluble glucans (α-1,3 and α-1,6 glycosidic linkages), while GtfB and GtfD synthesize only insoluble or soluble glucans, respectively. Here, crystal structures of the catalytic domains of GtfB and GtfD are reported. These structures are compared with previously determined structures of the catalytic domain of GtfC. With this work, apo structures and inhibitor-complex structures with acarbose are now available for the catalytic domains of GtfC and GtfB. The structure of GtfC with maltose allows further identification and comparison of active-site residues. A model of sucrose binding to GtfB is also included. The new structure of the catalytic domain of GtfD affords a structural comparison of the three S. mutans glycosyltransferases. Unfortunately, the catalytic domain of GtfD is not complete since crystallization resulted in the structure of a truncated protein lacking approximately 200 N-terminal residues of domain IV.
Environmental awareness and shareholder proposals: the case of the Deepwater Horizon oil spill disaster
Authors: D'Augusta Carlo , Grossetti Francesco , Imperatore Claudia
Published: April 2023

Purpose

The authors study the effect of increasing environmental awareness on shareholders' activism. Specificallly, this study aims to examine whether growing environmental awareness is reflected in more aggressive environmental shareholder proposals.

Design/methodology/approach

This study uses the 2010 Deepwater Horizon oil spill disaster as an exogenous event that increased shareholders' environmental awareness. This study analyzes the spill’s effect on the tone of proposals about environmental issues and nonenvironmental topics.

Findings

After the disaster, the tone of environmental proposals (i.e. the treatment group) is significantly more negative. In contrast, the tone of nonenvironmental proposals (i.e. the control group) is unaffected. This study interprets this finding as direct evidence that the oil spill led to increased shareholder environmental activism through proposals that targeted the environmental risks surrounding the business more aggressively. By contrast, this study finds no effect of the oil spill on the tone of managers' responses to the proposals, consistent with managers refraining from emphasizing environmental threats.

Originality/value

Anecdotal evidence and recent studies suggest a link between environmental disasters and shareholder pressure for corporate change. However, no prior research has investigated the channel through which shareholders could have exerted such pressure or has looked for direct evidence of it in the negotiations between shareholders and managers. By finding such evidence in shareholder proposals, this study fills in this gap.
‘I’d never cook it now’: an exploration of intergenerational transference and its role in facilitating family food sustainability
Authors: Carrigan Marylyn , Wells Victoria , Athwal Navdeep
Published: April 2023

Purpose

This paper aims to develop a deeper understanding of what (un)sustainable food behaviours and values are transmitted across generations, to what extent this transference happens and the sustainability challenges resulting from this for individuals and households.

Design/methodology/approach

A total of 25 semi-structured in-depth interviews are analysed regarding the value of inherited food, family food rituals, habits and traditions, aspects of food production and understanding of sustainability.

Findings

Intergenerational transferences are significant in shaping (un)sustainable consumption throughout life, and those passed-on behaviours and values offer opportunities for lifelong sustainable change and food consumption reappraisal in daily life, beyond early years parenting and across diverse households.

Research limitations/implications

Participants were limited to British families, although the sample drew on multiple ethnic heritages. Future research could study collectivist versus more individualistic cultural influence; explore intergenerational transference of other diverse households, such as multigeneration or in rural and urban locations, or whether sustainable crossover derived from familial socialisation continues into behaviours and values beyond food.

Practical implications

The findings show the importance of families and intergenerational transference to the embedding of sustainable consumption behaviours. Mundane family life is a critical source of sustainable learning, and marketers should prioritise understanding of the context and relationships that drive sustainable consumer choices. Opportunities for intentional and unintentional sustainable learning exist throughout life, and marketers and policymakers can both disrupt unsustainable and encourage sustainable behaviours with appropriate interventions, such as nostalgic or well-being communications. The paper sheds light on flexible sustainable identities and how ambivalence or accelerated lives can deflect how policy messages are received, preventing sustainable choices.

Originality/value

The findings provide greater understanding about the mechanisms responsible for the sustainable transformation of consumption habits, suggesting intergenerational transferences are significant in shaping (un)sustainable food consumption throughout life. The study shows secondary socialisation can play a critical role in the modification of early behaviour patterns of food socialisation. The authors found individuals replicate food behaviours and values from childhood, but through a process of lifelong learning, can break formative habits, particularly with reverse socialisation influences that prioritise sustainable behaviours.
A meta-analysis of trust in mobile banking: the moderating role of cultural dimensions
Authors: Kumar Poonam , Chauhan Sumedha , Gupta Prashant , Jaiswal Mahadeo Prasad
Published: April 2023

Purpose

In mobile banking (m-banking), knowing and understanding trust-related factors can enable bank managers to design suitable strategies for enhancing its overall uptake. Based on this premise, the present study assesses the relationship of trust in m-banking with technology acceptance and use factors, quality factors, risk factors and a personal factor as well as behavioral outcomes. The study further investigates the moderating influence of Hofstede’s cultural dimensions on these relationships.

Design/methodology/approach

The present study synthesizes the outcomes of 63 quantitative studies on trust in m-banking by using the meta-analysis technique.

Findings

The study finds a significant relationship of trust in m-banking with technology acceptance and use factors, quality factors, risk factors, a personal factor and behavioral outcomes. Additionally, Hofstede’s cultural dimensions, namely power distance, individualism/collectivism, masculinity/femininity and uncertainty avoidance, significantly moderate the majority of the hypothesized relationships.

Research limitations/implications

By reviewing the extant literature, this study provides a comprehensive framework that explains the antecedents and behavioral outcomes of trust in m-banking and determines how these relationships effectively vary across cultures.

Practical implications

The study helps m-banking service providers to understand how trust in m-banking can be enhanced. The study also shows which factors are more impactful in a particular culture.

Originality/value

This is an original study that contributes to the m-banking marketing literature.
Fiscal constraint and education expenditure in Nigeria: how critical is political institution?
Authors: Iyoboyi Martins , Musa-Pedro Latifah , Felix Okereke Samuel , Sanusi Hussaina
Published: April 2023

Purpose

This paper examines the impact of fiscal constraints on education expenditure in Nigeria from 1981 to 2021, using annual time series data.

Design/methodology/approach

The study deployed cointegration techniques with structural breaks.

Findings

Cointegration was found between education expenditure, debt servicing (a proxy for fiscal constraint) and associated variables. In both the long and short run, debt servicing negatively and significantly impacts education expenditure. While government revenue has a positive and significant impact on education expenditure in the long and short run, political institution has a negative and significant impact in the long run. Political institution is thus critical to education financing in Nigeria. The impact of debt is positive and significant in the short run, but not significant in the long run. There is a unidirectional causality from debt servicing to education expenditure.

Practical implications

Political institutions are critical towards contracting only productive debts and checkmating the adverse political environment through political will that prioritizes education financing.

Originality/value

The study extends the empirical literature on the fiscal constraint-education expenditure first by investigating fiscal constraint-education expenditure nexus given the institutional environment, and second by extending the methodology using cointegration techniques in the midst of structural breaks.

Peer review

The peer review history for this article is available at:https://publons.com/publon/10.1108/IJSE-10-2022-0682.
How to make users fall in love with a mobile application: A moderated-mediation analysis of perceived value and (brand) love
Authors: Zheng Lili
Published: April 2023

Purpose

The study aims to examine the indirect relationships via application (app) brand self-relevance emotions and self-relevance that underlie the relationships between perceived value of mobile apps and (brand) love with respect to mobile apps. The study further investigates the moderating role of user–app relationship duration in the formation process of brand love for mobile apps from a dynamic and long-term perspective.

Design/methodology/approach

A multiple moderated-mediation model is developed and empirically tested with a sample of 396 users of popular Chinese mobile educational apps.

Findings

The study reveals that utilitarian value exhibits positive indirect relationships with brand love for mobile apps through increased positive self-relevance emotions. All three types of perceived value of mobile apps (utilitarian, hedonic and social) affect app brand love positively via self-relevance. These three types of perceived value were found to be serially linked to brand love through self-relevance and self-relevance emotions. Furthermore, empirical evidence is found for the moderating effects of user–app relationship duration.

Originality/value

By testing mechanisms simultaneously in an integrative model, this study investigates the reasons for app brand love that attract a user into a lasting relationship with an app and extends knowledge of the app brand love building process in inducing strong and positive brand–self connections. Our study also makes practical contributions by offering insights into delivering the most desired benefits to mobile app users according to different contextual conditions, in order to attract and retain users in a more cost-effective manner.
Corporate social responsibility and abnormal executive compensation
Authors: Park Jonghan , Zhang Tianming , Pierce Spencer , Jia Yonghong
Published: April 2023

Purpose

The authors examine the association between corporate social responsibility (CSR) and abnormal executive compensation. The authors hypothesize that socially responsible firms are more likely to pay their executives at a level that is in line with economic determinants.

Design/methodology/approach

Using the expected compensation model developed by Core et al. (2008), the authors test our hypothesis using a large sample of US public companies.

Findings

The authors find that CSR performance is negatively associated with how much executive compensation deviates from the expected level. The authors further examine whether CSR performance is associated with excess compensation or inadequate compensation and find that socially responsible firms are less likely to pay their executives either excessively or inadequately.

Originality/value

This study provides evidence on the association between CSR performance and abnormal executive compensation, especially how CSR is associated with inadequate compensation, an area that has been largely overlooked by the literature.
Employee trust-repair practices: scale development and validation
Authors: Kähkönen Tiina , Vanhala Mika , Blomqvist Kirsimarja
Published: April 2023

Purpose

In this paper, the authors describe the step-by-step approach used to develop a trust-repair construct and a valid measurement scale for assessing employee perceptions of the most effective employee trust-repair practices.

Design/methodology/approach

The initial employee trust-repair scale (ETRS) was completed by 282 employees of a non-profit organization and validated by 101 employees of the administrative unit of the Finnish Army.

Findings

The 14-item seven-factor model was found to be reliable, valid and stable across the samples.

Research limitations/implications

This study contributes to the current literature on trust repair by presenting the first validated measure for employee trust repair.

Practical implications

The findings provide a valuable instrument for practitioners to assess the state of employee trust-repair practices.

Originality/value

To the best of the authors’ knowledge, this is the first study in an organizational context demonstrating an operationally valid and comprehensive measure for employee trust-repair practices.
Expatriate management in Japanese firms: paradox of the HR system for Thai self-initiated expatriates
Authors: Yorozu Chie
Published: April 2023

Purpose

This research aims to see whether replication occurs with the focus on the Japanese HR system, following the latest studies on expatriate management in Japan. Whereas the total number of self-initiated expatriates has hugely increased in Japan, the high turnover rate is a big issue. Can this also be evidenced with new data? How does the Japanese HR system, with its notorious reputation for unique people management methods, relate to the expats' reasons for staying in the long or short term?

Design/methodology/approach

Replication of research is adopted here with an interview-based qualitative method using the same research design as previous literature. The previous research focused on Chinese and Vietnamese self-initiated expatriates, who occupy the majority of expatriate positions in Japan. This study has a new target group of Thai expatriates, who have a relatively higher educational background than some other expatriates and are expected by the Japanese firms to stay over the long term.

Findings

Replication of the findings of the latest studies occurs in this research. The turnover rate is as high as other national expatiates, with similar reasons, related to the Japanese HR system. However, there are also different issues. The main reasons they give for not staying in the long-term are unhealthy work habits, followed by slower promotion and ambiguous work content/role. The Japanese HR system is a dehumanising mechanism leading to a stressful work environment, which is the most critical concern for them and the main reason they choose not to remain in the long term.

Originality/value

Past studies indicate an expectation gap between Japanese firms and expatriates, which is also found in this study. Additionally, an assumption gap between them about security under the HR system is also confirmed. Security means working healthily for expatriates while it means long-term employment for Japanese firms.
Improving partnership performance of BPJS Healthcare in Indonesia
Authors: Ratnawati Alifah , Widodo Widodo , Wahyono Wahyono
Published: April 2023

Purpose

This study aims to investigate and analyze how to improve the partnership performance of BPJS Healthcare in Indonesia. The authors developed a new construct called engagement religious compliance (ERC). The antecedents of ERC include partnership commitment, perceived benefit and communication quality. This study will examine how the regression relationship of the five constructs will be. Therefore, their influence in increasing the partnership performance of BPJS Healthcare will be known as well.

Design/methodology/approach

This study used a mixed method. Quantitatively, respondents comprised 88 leaders from 45 Islamic hospitals in collaboration with BPJS Healthcare in Central Java, Indonesia, selected through a census. Furthermore, the data collection technique of this study used a questionnaire and it will be then analyzed by using partial least squares-structural equation modeling. Then, qualitatively, the data collection technique used in-depth interviews and focus group discussions, whereas the data were analyzed by using the interpretivist approach.

Findings

The new ERC construct is proven to be able to improve the partnership performance of BPJS Healthcare in Indonesia. In addition to ERC, partnership performance can be increased through partnership commitment, perceived benefit and communication quality. ERC is proven to be a mediating variable in improving partnership performance.

Originality/value

This research used ERC, a variable that mediates the effect of partnership commitment, perceived benefit and communication quality on increasing partnership performance. ERC is a novelty proposed in this study because, to the best of the authors’ knowledge, it has not been discussed by any previous research.