bluuebunny/crossref_metadata_2025_split huggingface dataset:
Detecting subsea permafrost layers on marine seismic data: An appraisal from forward modelling
Authors: Duchesne Mathieu J. , Fabien‐Ouellet Gabriel , Bustamante Jefferson 
Published: August 2022

ABSTRACTDetecting the top and base subsea permafrost from 2D seismic reflection data in shallow marine settings is a non‐trivial task due to the occurrence of strong free surface multiples. The potential to accurately detect permafrost layers on conventional 2D seismic reflection data is assessed through viscoelastic modelling. Reflection imaging of permafrost layers is examined through the evaluation of specific characteristics of the subsurface, acquisition parameters and their impact. Results show that limitations are related to the principles of the method, the intrinsic nature of the permafrost layers, and the acquisition geometry. The biggest challenge is the occurrence of free surface multiples that overprint the base permafrost reflection, with the worst‐case scenario the case of a thin layer of ice‐bonded sand. Wedge models suggest that if the base permafrost is dipping, it would intersect internal and free surface multiples of the seafloor and the top permafrost and be detected. Also, the amplitude ratio of the base permafrost reflection and the multiples decreases with the increasing thickness of permafrost. Therefore, the crosscutting relationship between the reflection at base permafrost reflection and the multiples might not be enough to detect the base permafrost for thicker permafrost layers. Finally, the experiment results show that, for partially ice‐bonded layers, the attenuation combined with the low reflectivity of the basal interface limits the likelihood to resolve the base permafrost, especially for thick permafrost layers.
Identifying the behavior change techniques used in obesity interventions: An example from the EARLY trials
Authors: Lytle Leslie A. , Wasser Heather M. , Godino Job , Lin Pao‐Hwa , Tate Deborah F. 
Published: August 2022

AbstractObjectiveThe dissemination of effective obesity interventions requires the documentation of key elements of the intervention. But outcome papers and other published manuscripts often lack detail that allow the replication of the intervention. The Behavior Change Technique (BCT) Taxonomy (BCTTv1) is a widely used approach to identify key elements of an intervention study. This study compares the extent to which BCTs and domains identified in studies' intervention protocol are concordant with detail from corresponding intervention design and study outcome papers.MethodsData come from four obesity interventions with complete intervention protocols as well as published intervention design and outcome papers. The number of domains and BCTs was calculated for each treatment arm and stratified by coding source. Emphasis of domains and BCTs was determined using an Analytical Hierarchy Process (AHP).ResultsA review of each study's intervention protocol showed the mean number of domains and BCTs used in treatment arms as 11.8 and 26.7, respectively. Primary outcome papers had a mean loss of 34% of the reported domains and 43% of BCTS as compared with intervention protocl. Design papers showed a loss of 11% and 21% of domains and BCTs, respectively.ConclusionsThe results confirm the limitations of using the BCTTv1 coding of outcome papers to describe obesity‐related interventions. The results also highlight the need for mechanisms that allow for a full description of intervention content such as inclusion in a supplemental section of an online journal or the use of intervention‐focused consort guidelines.
A comparative study on the interfacial characteristics and tensile behaviors of natural rubber composites reinforced by carbon and boron nitride nanotubes
Authors: Cui Jianzheng , Zeng Fanlin , Yuan Bin 
Published: August 2022

AbstractThe reinforcing effect of carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) on the interfacial characteristics and tensile behaviors of natural rubber (NR) composites were comparatively investigated using molecular dynamics simulations. A pull‐out simulation was performed to study the interfacial characteristics between CNTs, BNNTs and NR matrices. The results showed that increases of about 56.63% and 90.14% in the interfacial frictional force and interfacial shear strength were obtained for the composites by the incorporation of BNNTs than those by the incorporation of CNTs. A uniaxial tensile process was fulfilled by using the constant true strain rate method to study the mechanical properties of the NR composites reinforced by CNTs and BNNTs. The results indicated that significant increases of 22.34% and 26.59% in the Young's modulus, 4.34% and 19.28% in the yield stress, and 11.07% and 8.01% in the tensile strength were respectively achieved by the incorporation of CNTs and BNNTs as reinforcements. To deeply reveal the deformation mechanisms of the NR composites, the mean square displacement and root‐mean‐square radius of gyration of the NR chains, the fractional free volume in the NR composites, and the interfacial interaction energy were calculated and discussed accordingly.
Computational analysis of peroxyl radical scavenging capacity of coumestrol: insights into kinetics and reaction mechanisms
Authors: Boulebd Houssem 
Published: August 2022

AbstractCoumestrol (COM) is a phytoestrogen from the coumestan family that occurs naturally in various foods such as clover, soybeans, alfalfa sprouts, and legumes. Besides its antiestrogenic activity, COM exerts various biological activities, including anticancer, antioxidant, and α‐glucosidase inhibitory. In terms of antioxidant activity, COM has shown an excellent profile according to experimental studies; however, its mechanism of action has not been successfully determined thus far. In this contribution, we evaluated the kinetics and mechanism of the peroxyl radical (ROO•) scavenging activity of COM using quantum chemistry methods. It has been shown that the environment and the nature of the ROO• radical play a determining role in the antioxidant activity of COM. In lipid media, COM exhibits moderate ROO• scavenging activity via the formal hydrogen transfer (FHT) mechanism regardless of the nature of the ROO• radical. However, in polar environments, its activity becomes more important as the reactivity of the ROO• radical increases. Under these conditions, the single electron transfer (SET) mechanism becomes dominant or even exclusive.
Impact of sleep‐disordered breathing on the management of children with Chiari malformation type I
Authors: Vagianou Foteini , Khirani Sonia , De Saint Denis Timothée , Beccaria Kevin , Amaddeo Alessandro , Breton Sylvain , James Syril , Paternoster Giovanna , Arnaud Eric , Zerah Michel , Fauroux Brigitte 
Published: August 2022

AbstractObjectivesChildren with Chiari malformation type I (CM‐I) have an increased risk of sleep apnea. The aim of the study was to describe the management of CM‐I patients in relation to symptoms, magnetic resonance imaging (MRI) findings and sleep apnea syndrome (SAS).MethodsWe performed a retrospective analysis of clinical charts of all 57 CM‐I patients seen between September 2013 and April 2017.ResultsA total of 45 patients had isolated CM‐I or associated co‐morbidity (CM‐Iia), 5 had craniosynostosis (CM‐Ics), and 7 a polymalformative syndrome (CM‐Ipm). The prevalence of SAS, defined as an apnea‐hypopnea index >1 event/h, was high in CM‐I ranging from 50% to 80% according to the CM‐I group. The prevalence of central sleep apnea (CSA) was low, with 5 (9%) patients having CSA and only 3 patients with CM‐Iia having isolated CSA. A total of 17 patients (30%) had foramen magnum decompression (FMD). Neither positive symptoms of CM‐I nor MRI findings alone, nor both combined were good indicators for FMD. No correlation was observed between the cerebellar tonsil descent and SAS in CM‐I. But all 5 patients with CSA had a FMD. The combination of MRI findings and/or symptoms of CM‐I together with moderate‐to‐severe SAS best discriminated patients who needed a FMD.ConclusionOur findings highlight the importance of a combined evaluation of symptoms, MRI and polygraphy results in the management of CM‐I patients.
Association between early chronic methicillin‐susceptible Staphylococcus aureus colonization and lung function in children with cystic fibrosis
Authors: Sunman Birce , Yalcin Ebru , Ozsezen Beste , Tural Dilber A. , Buyuksahin Halime N. , Guzelkas Ismail , Emiralioglu Nagehan , Dogru Deniz , Özçelik Uğur , Şener Burçin , Kiper Nural 
Published: August 2022

AbstractBackgroundOur aim was to determine whether early chronic methicillin‐susceptible Staphylococcus aureus (MSSA) colonization in children with cystic fibrosis (CF) is associated at 8 years of age with poorer lung function, poorer nutritional status, and increased exacerbation frequency.MethodsIn this retrospective cohort study, a total of 52 children with chronic MSSA colonization were included. Of them, 26 were chronically colonized with MSSA before the age of 4 years (early onset), and 26 were chronically colonized from 4 years to 6 years of age (late‐onset). At the age of 8 years, lung function, body mass index (BMI) as an indicator of nutritional status and frequency of pulmonary exacerbations were compared between two groups.ResultsAt 8 years of age, BMI was similar between the early‐onset and late‐onset groups (15.0 [min‐max: 12.9–26.8] vs. 15.7 (min‐max: 13.0–24.9), p = 0.327]. Percentage of forced expiratory volume in 1 s (FEV1) and forced expiratory flow between 25% and 75% of vital capacity (FEF25‐75) in 8‐year‐old children were significantly lower in the early onset group compared to the late‐onset group (98 [min‐max: 44–139] vs. 106.5 [min‐max: 82–131], p = 0.047; 84.9 ± 25.5 vs. −102.3 ± 26.3, respectively; p = 0.019], although the percentage of forced vital capacity did not differ significantly between two groups (93.5 [min‐max: 45–131] vs. 103 [min‐max: 84–119], respectively; p = 0.092). Exacerbation frequency between the ages of 6 and 8 years in the early onset group was higher compared to the late‐onset group according to the Poisson regression model [1 (min‐max:0‐10) vs 0 (min‐max:0‐4), respectively; p = 0.044].ConclusionsEarly chronic MSSA colonization is associated with poorer lung function and frequent exacerbations in children with CF. However, further studies are needed to reveal the cause‐and‐effect relationship between early chronic MSSA colonization and pulmonary outcome.
Characterizing (un)binding mechanism of USP7 inhibitors to unravel the cause of enhanced binding potencies at allosteric checkpoint
Authors: Srivastava Mitul , Mittal Lovika , Kumari Anita , Agrahari Ashish Kumar , Singh Mrityunjay , Mathur Rajani , Asthana Shailendra 
Published: August 2022

AbstractThe ability to predict the intricate mechanistic behavior of ligands and associated structural determinants during protein–ligand (un)binding is of great practical importance in drug discovery. Ubiquitin specific protease‐7 (USP7) is a newly emerging attractive cancer therapeutic target with bound allosteric inhibitors. However, none of the inhibitors have reached clinical trials, allowing opportunities to examine every aspect of allosteric modulation. The crystallographic insights reveal that these inhibitors have common properties such as chemical scaffolds, binding site and interaction fingerprinting. However, they still possess a broader range of binding potencies, ranging from 22 nM to 1,300 nM. Hence, it becomes more critical to decipher the structural determinants guiding the enhanced binding potency of the inhibitors. In this regard, we elucidated the atomic‐level insights from both interacting partners, that is, protein–ligand perspective, and established the structure–activity link between USP7 inhibitors by using classical and advanced molecular dynamics simulations combined with linear interaction energy and molecular mechanics‐Poisson Boltzmann surface area. We revealed the inhibitor potency differences by examining the contributions of chemical moieties and USP7 residues, the involvement of water‐mediated interactions, and the thermodynamic landscape alterations. Additionally, the dissociation profiles aided in the establishment of a correlation between experimental potencies and structural determinants. Our study demonstrates the critical role of blocking loop 1 in allosteric inhibition and enhanced binding affinity. Comprehensively, our findings provide a constructive expansion of experimental outcomes and show the basis for varying binding potency using in‐silico approaches. We expect this atomistic approach to be useful for effective drug design.
The gateway to guanine nucleotides: Allosteric regulation of IMP dehydrogenases
Authors: Buey Rubén M. , Fernández‐Justel David , Jiménez Alberto , Revuelta José L. 
Published: August 2022

AbstractInosine 5′‐monophosphate dehydrogenase (IMPDH) is an evolutionarily conserved enzyme that mediates the first committed step in de novo guanine nucleotide biosynthetic pathway. It is an essential enzyme in purine nucleotide biosynthesis that modulates the metabolic flux at the branch point between adenine and guanine nucleotides. IMPDH plays key roles in cell homeostasis, proliferation, and the immune response, and is the cellular target of several drugs that are widely used for antiviral and immunosuppressive chemotherapy. IMPDH enzyme is tightly regulated at multiple levels, from transcriptional control to allosteric modulation, enzyme filamentation, and posttranslational modifications. Herein, we review recent developments in our understanding of the mechanisms of IMPDH regulation, including all layers of allosteric control that fine‐tune the enzyme activity.
Structural models of viral insulin‐like peptides and their analogs
Authors: Gorai Biswajit , Vashisth Harish 
Published: August 2022

AbstractThe insulin receptor (IR), the insulin‐like growth factor‐1 receptor (IGF1R), and the insulin/IGF1 hybrid receptors (hybR) are homologous transmembrane receptors. The peptide ligands, insulin and IGF1, exhibit significant structural homology and can bind to each receptor via site‐1 and site‐2 residues with distinct affinities. The variants of the Iridoviridae virus family show capability in expressing single‐chain insulin/IGF1 like proteins, termed viral insulin‐like peptides (VILPs), which can stimulate receptors from the insulin family. The sequences of VILPs lacking the central C‐domain (dcVILPs) are known, but their structures in unbound and receptor‐bound states have not been resolved to date. We report all‐atom structural models of three dcVILPs (dcGIV, dcSGIV, and dcLCDV1) and their complexes with the receptors (μIR, μIGF1R, and μhybR), and probed the peptide/receptor interactions in each system using all‐atom molecular dynamics (MD) simulations. Based on the nonbonded interaction energies computed between each residue of peptides (insulin and dcVILPs) and the receptors, we provide details on residues establishing significant interactions. The observed site‐1 insulin/μIR interactions are consistent with previous experimental studies, and a residue‐level comparison of interactions of peptides (insulin and dcVILPs) with the receptors revealed that, due to sequence differences, dcVILPs also establish some interactions distinct from those between insulin and IR. We also designed insulin analogs and report enhanced interactions between some analogs and the receptors.
A model of software fault detection and correction processes considering heterogeneous faults
Authors: Xie Ruijin , Qiu Hui , Zhai Qingqing , Peng Rui 
Published: August 2022

AbstractNumerous software reliability growth models (SRGMs) are proposed in the last four decades to track the reliability growth of software during the testing phase. In many existing models, it is assumed that the faults in the software are of the same type. However, this assumption may not be realistic. Software contains different faults and the detection/correction of different faults can require different efforts. In this paper, we propose a more general software reliability model considering heterogeneous faults, where the parameters for the detection time and correction delay of different faults are assumed to be faults specific and allowed to follow arbitrary distributions. Considering different parameters makes the model more flexible and adaptable to different practical software development situations. Some specific models are derived under different assumptions on the distributions of fault detection time, fault correction delay, and the corresponding parameters. Both MLE and LSE are proposed for parameter estimation. Illustrative examples with real data set are studied to compare the proposed models with homogeneous faults model, and the results have shown advantages of our models. The optimal software release policy based on the proposed model is also studied.
Online learning stochastic model predictive control of linear uncertain systems
Authors: Li Fei , Li Huiping , Li Shaoyuan , He Yuyao 
Published: August 2022

AbstractThis article presents an online learning stochastic model predictive control method for linear uncertain systems with state‐dependent additive uncertainties, where the uncertainty is modeled as Gaussian process. The proposed scheme utilizes the probabilistic reachable sets as time‐varying tubes, which are formulated by forecasting the variance propagation of uncertainty via Gaussian process regression, to embody the chance constraints. The proposed learning based stochastic model predictive control algorithm is designed by refining the active data dictionary to train the Gaussian process model of uncertainty online. In particular, the data points in the active data dictionary are selected from the raw data around the predicted optimal nominal trajectories, which reduces the computational load as well as preserves the control performance. Then the algorithm feasibility and closed‐loop stability of the developed algorithm are analyzed. Finally, the efficacy and superiority over existing methods are verified by simulation studies.
Sustainable development of the green bond markets in India: Challenges and strategies
Authors: Bansal Shashank , Mani Satya Prakash , Gupta Himanshu , Maurya Shipra 
Published: August 2022

AbstractGreen bonds have emerged as a useful and powerful financial strategy to mitigate the financial problems of low‐carbon projects. India, which is a significant contributor to global warming, is facing serious challenges in increasing the market for and acceptability of green bonds. This study identified different challenging factors influencing the development of green bond markets in India and suggests suitable strategies to overcome these challenges. The key factors responsible for the development of green bond markets were identified by an extensive literature review and critical examination through experts' opinion. The best worst method (BWM) was used to rank challenges and strategies based on the priority (or weights) provided by the industry experts. The results indicate that the lack of clear risk profiling and legislative support involved in green bonds are the most crucial challenges for the Indian green bond market, followed by lack of market knowledge and lack of demand among investors for green bonds. Among the strategies, standardization emerged as the most notable to promote green bond in emerging economies. This study extends the literature by providing comprehensive insights into the challenges restricting the growth of the green bond market and develops a detailed understanding of the different strategies to overcome those challenges. This study also provides a roadmap for policymakers to restructure the green bond market and to help fulfill India's commitment to the Paris Agreement.
Patients with Vitiligo Have a Distinct Affective Temperament Profile: A Cross-Sectional Study Using Temperament Evaluation of Memphis, Paris, and San Diego Auto-Questionnaire
Authors: Litaiem Noureddine , Charfi Olfa , Ouanes Sami , Gara Soumaya , Zeglaoui Faten 
Published: August 2022

Abstract

Background
Vitiligo is a skin disease associated with significant psychiatric comorbidities. Affective temperaments represent the inherited foundation of personality and represent the biologically stable part of emotional reactivity. Studies assessing the temperament profile of patients with vitiligo are still scarce.

Method
This was a cross-sectional study enrolling 34 patients with vitiligo and 34 age and sex-matched healthy controls. Affective temperament profile was investigated using the Temperament Evaluation of Memphis, Paris, and San Diego Auto-questionnaire. Dermatology life quality index was used to evaluate disease impact on patients' quality of life.

Results
We found significant differences with vitiligo patients scoring higher in anxious (11.5 ± 4.76 vs. 9.06 ± 6.22; p = 0.036) and lower in hyperthymic (5.79 ± 3.82 vs. 7.5 ± 3.64; p = 0.027) temperaments. Vitiligo worsening reported by patients was associated with recent psychological stressors in 18 cases (52.9%) and Koebner phenomenon in 20 cases (58.8%). Koebner phenomenon was more frequently associated with the hyperthymic temperament (p = 0.035). Cyclothymic temperament was positively correlated with Dermatology life quality index (rho = 0.417, p = 0.014).

Conclusions
This study demonstrated that patients with vitiligo have a distinct premorbid temperament profile. Having low hyperthymic and high anxious temperament traits seem to predispose patients to be less resilient to psychological stressors. A better understanding of the affective traits of vitiligo patients would be vital in personalising and adapting the management of this chronic skin disease.
Reactive Oxygen Species Responsive Cleavable Hierarchical Metallic Supra‐Nanostructure
Authors: Choi Hyunjun , Choi Bongseo , Han Jun‐Hyeok , Shin Ha Eun , Park Wooram , Kim Dong‐Hyun 
Published: August 2022

AbstractA reactive oxygen species (ROS) responsive cleavable hierarchical metallic supra‐nanostructure (HMSN) is reported. HMSN structured with thin branches composed of primary gold (Au) nanocrystals and silver (Ag) nano‐linkers is synthesized by a one‐pot aqueous synthesis with a selected ratio of Au/Ag/cholate. ROS responsive degradability of HMSN is tested in the presence of endogenous and exogeneous ROS. Significant ROS‐responsive structural deformation of HMSN is observed in the ROS exposure with hydrogen peroxide (H2O2) solution. The ROS responsiveness of HMSN is significantly comparable with negligible structural changes of conventional spherical gold nanoparticles. The demonstrated ROS responsive degradation of HMSN is further confirmed in various in vitro ROS conditions of each cellular endogenous ROS and exogeneous ROS generated by photodynamic therapy (PDT) or X‐ray radiation. Then, in vivo ROS responsive degradability of HMSN is further evaluated with intratumoral injection of HMSN and exogeneous ROS generation via PDT in a mouse tumor model. Additional in vivo biodistribution and toxicity of intravenously administrated HMSN at 30‐day post‐injection are investigated for potential in vivo applications. The observed ROS responsive degradability of HMSN will provide a promising option for a type of ROS responsive‐multifunctional nanocarriers in cancer treatment and various biomedical applications.