bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydraulic characteristics of the Parshall flume entrance wingwall: Numerical simulation and test
Authors: Xu Hu , Li Ziming , Wu Wenyong , Liu Tiantian , Hu Yaqi , Ma Meng
Published: August 2022

The Parshall flume is a common open channel water‐measuring facility that is widely used in hydrological monitoring, agricultural irrigation and municipal water supply. In engineering applications, there is no clear requirement for the form of the wingwalls connecting the channel and Parshall flume. Therefore, it has different effects on flow measurement accuracy, flow velocity distribution and hydraulic characteristics. To standardize its construction requirements, a wingwall form with high flow measurement accuracy is evaluated. Computational fluid dynamics (CFD) numerical simulations and hydraulic experiments have shown the influence of different wingwalls on hydraulic characteristics. The governing test parameters include wingwall forms, incoming flow and degree of submergence. By measuring water surface fluctuation, streamline distribution and flow measurement error, the effects of different wingwall forms on flow measurement accuracy and hydraulic characteristics were evaluated. The results showed that the fluctuation of the water surface is affected by the boundary conditions. Layout I has the highest flow measurement accuracy and has an arc‐shaped wingwall with a radius of 1.5 m. By comparing the results of the tests and simulations, the average error is 3%. The results showed that the hydrodynamic model of the Parshall flume can provide a theoretical basis for the design and development of the measurement structure in the future.
Reproductive toxicity of maternal exposure to di(2‐ethylhexyl)phthalate and butyl paraben (alone or in association) on both male and female Wistar offspring
Authors: Guerra Marina Trevizan , Erthal Rafaela Pires , Punhagui‐Umbelino Ana Paula Franco , Trinque Camila Moreira , Torres de Bari Maria Antônia , Nunes Thamires D'Alexandre Mendonça , Costa Wagner Ferrari , Cleto Pedro Horácio , Fernandes Glaura Scantamburlo Alves
Published: August 2022

Parabens and phthalates are commonly found as contaminants in human fluids and are able to provoke reproductive toxicity, being considered endocrine disruptors. To evaluate the effects of phthalate and paraben, alone or in combination, on reproductive development of the offspring, female pregnant Wistar rats were allocated in six experimental groups: Three control groups (gavage [CG], subcutaneous [CS], and gavage + subcutaneous) received corn oil as vehicle, and the remaining groups were exposed to di(2‐ethylhexyl)phthalate (DEHP) (500 mg/kg, gavage), butyl paraben (BP) (100 mg/kg, subcutaneously), or MIX (DEHP + BP), from Gestational Day 12 until Postnatal Day (PND) 21. The following parameters were assessed on the offspring: anogenital distance and weight at PND 1, nipple counting at PND 13, puberty onset, estrous cycle, weights of reproductive and detoxifying organs, histological evaluation of reproductive organs, and sperm evaluations (counts, morphology, and motility). Female pups from MIX group presented reduced body weight at PND 1, lower AGD, and decreased endometrium thickness. Male animals showed decreased body weight at PND 1 and lower number of Sertoli cells on DEHP and MIX groups, MIX group revealed increase of abnormal seminiferous tubules, DEHP animals presented delayed preputial separation and higher percentage of immotile sperms, and BP males presented diminished number of Leydig cells. In conclusion, the male offspring was more susceptible to DEHP toxicity; even when mixed to paraben, the main negative effects observed seem to be due to antiandrogenic phthalate action. On the other hand, DEHP seems to be necessary to improve the effects of BP on reducing estrogen‐dependent and increasing androgen‐dependent events.
Development and validation of diagnostic algorithms for the laboratory diagnosis of porphyrias
Authors: Lefever Stefanie , Peersman Nele , Meersseman Wouter , Cassiman David , Vermeersch Pieter
Published: August 2022

Porphyrias are rare metabolic disorders of the haem synthesis. They can present with acute neurovisceral attacks, cutaneous symptoms, or a combination of both. As they present with a wide variety of clinical symptoms, diagnosis is often delayed and correct interpretation of porphyria‐related tests remains a challenge for many physicians. We developed and validated two algorithms for the laboratory diagnosis of porphyrias based on presenting symptoms. Based on a literature search and clinical/laboratory expertise, we developed algorithms for acute and cutaneous porphyrias. We validated these algorithms using all porphyria related laboratory test requests between January 1st 2000 and September 30th 2020 in UZ Leuven. In addition, we also evaluated our algorithm using samples from the European porphyria network (EPNET) external quality assessment scheme (2010–2021). Sensitivity of the algorithm for acute porphyria was 100.0% [74.9%–100.0%] (13 acute intermittent porphyria (AIP) and 1 variegate porphyria [VP]) with a specificity of 98.5% [91.0%–100.0%] (65 patients). Sensitivity of the algorithm for cutaneous porphyria was 100% [95.1%–100.0%] (7 VP, 59 porphyria cutanea tarda (PCT), 23 erythropoietic protoporphyria (EPP), 2 X‐linked erythropoietic protoporphyria [XLEPP]) with a specificity of 93.9% [82.9%–98.5%]. There were no diagnostic samples of other types of porphyria. The algorithms correctly identified 18 of the 19 EPNET porphyria cases. One of the two hereditary coproporphyria cases was missed. The algorithms for acute and cutaneous porphyria showed high sensitivity and specificity and can be used to aid the clinician in correctly interpreting the laboratory findings of porphyria‐related tests.
A short note on the use of daily climate data to calculate Humidex heat‐stress indices
Authors: Diaconescu Emilia , Sankare Housseyni , Chow Kenneth , Murdock Trevor Q. , Cannon Alex J.
Published: August 2022

The projected increase in the frequency and intensity of extreme heat events due to climate change means an associated increase in risk of heat‐related illnesses and mortality. Public health systems need to be prepared to identify and reduce the susceptibility of vulnerable populations to increased occurrence of heat‐related illness and stress. To facilitate this, climate services have begun developing climate change projections for heat‐stress indices based on exceedances of thresholds used operationally in meteorological heat warning systems. This task is complicated by the fact that heat‐stress indices are generally computed using hourly data whereas climate model outputs are often archived at daily or longer time steps. This study focuses on Humidex, a heat‐stress index used in heat alerts issued by the Meteorological Service of Canada. Several potential solutions for computing robust Humidex indices using daily data are examined, including a new approximation method. Indices obtained with the new method are compared with indices obtained using the classic method based on hourly data as well as with other two methods based on average daily values. The new approximation gives good estimations for humidex indices, while the daily‐average‐value methods present biases with respect to the hourly‐value method.
Micronutrient and amino acid profile of breakfast cereal flakes from germinated brown rice (Oryza sativa), aerial yam (Dioscorea bulbifera) and germinated black turtle bean (Phaseolus vulgaris)
Authors: Chima Judith Uchenna , David‐Abraham Folusho Morenike , Okpala Laura Chioma
Published: August 2022

Background

Breakfast cereal flakes are currently one of the main components of a breakfast meal in many households and are gaining much research attention due to their convenience, good taste, and ease‐in‐preparation. Flakes production from germinated brown rice ([GBR] Oryza sativa), aerial yam (Dioscorea bulbifera), and germinated black turtle bean ([GTB] Phaseolus vulgaris) flour blends could optimize the use of these local food ingredients; and could serve as a cheap source of nutrients and functional food for disease prevention. This study aimed to produce breakfast flakes from flour blends of GBR, aerial yam, and GTB and to evaluate the micronutrients, antioxidant activity, and protein quality of the flakes produced.

Results

The results showed that calcium content ranged from 2.20 to 24.93 mg/100 g, phosphorus (11.05–42.34 mg/100 g), iron (0.11–0.18 mg/100 g), copper (0.82–1.19 mg/100 g), potassium (550.58–1037.10 mg/100 g), zinc (3.87–4.39 mg/100 g) and magnesium (104.16–122.90 mg/100 g). The vitamin contents of the flakes showed that pro‐vitamin A ranged from 2.07 to 4.30 mg/100 g, vitamin B1 (2.00–3.95 mg/100 g), B3 (1.56–3.98 mg/100 g), and B6 (1.40–3.85 mg/100 g), essential amino acid index (72%–90%), protein efficiency ratio (1.74–3.07), and biological value (71%–86%). The flakes had a good yield of amino acids, with leucine being the highest (5.80–8.55 g/100 g) concentrated essential amino acid; while glutamic acid was the highest (10.38–13.59 g/100 g) concentrated among non‐essential amino acids.

Conclusion

Production of breakfast cereal flakes from GBR, aerial yam, and GTB composite flours could serve as a cheap source of micronutrients and functional food.
In Situ Synthesized Porous Bacterial Cellulose/Poly(vinyl alcohol)‐Based Silk Sericin and Azithromycin Release System for Treating Chronic Wound Biofilm
Authors: Bakadia Bianza Moise , Boni Biaou Oscar Ode , Ahmed Abeer Ahmed Qaed , Zheng Ruizhu , Shi Zhijun , Ullah Muhammad Wajid , Lamboni Lallepak , Yang Guang
Published: August 2022

Chronic wounds are associated with infectious microbial complex communities called biofilms. The management of chronic wound infection is limited by the complexity of selecting an appropriate antimicrobial dressing with antibiofilm activity due to antimicrobial resistance in biofilms. Herein, the in situ developed bacterial cellulose/poly(vinyl alcohol) (BC–PVA) composite is ex situ modified with genipin‐crosslinked silk sericin (SS) and azithromycin (AZM) (SSga). The composite is evaluated as a wound dressing material for preventing the development, dispersion, and/or eradication of microbial biofilm. Fourier transform infrared spectroscopy confirms the intermolecular interactions between the components of BC–PVA@SSga scaffolds. The addition of PVA during BC production significantly increases the porosity from 53.5% ± 2.3% to 83.5% ± 2.9%, the pore size from 2.3 ± 1.9 to 16.8 ± 4.5 µm, the fiber diameter from 35.5 ± 10 to 120 ± 27.4 nm, and improves the thermal stability and flexibility. Studies using bacteria and fungi indicate high inhibition and disruption of biofilms upon AZM addition. In vitro biocompatibility analysis confirms the nontoxic nature of BC–PVA@SSga toward HaCaT and NIH3T3 cells, whereas the addition of SS enhances cell proliferation. The developed BC–PVA@SSga accelerates wound healing in the infected mouse model, thus can be a promising wound dressing biomaterial.
Wide Bandgap Conjugated Polymers Based on Difluorobenzoxadiazole for Efficient Non‐Fullerene Organic Solar Cells
Authors: Pan Langheng , Zhan Tao , Zhang Yue , Li Junyu , Wu Yifan , He Zhicai , Cai Ping , Duan Chunhui , Huang Fei , Cao Yong
Published: August 2022

Wide bandgap polymers with a donor–acceptor alternating structure play a key role in constructing high‐efficiency organic solar cells (OSCs). However, only a handful of high‐performance polymers are available owing to the limited choices of acceptor units. 5,6‐Difluorobenzo[c][1,2,5]oxadiazole (ffBX) is a promising acceptor unit with high ionization potential, and can afford high charge carrier mobility and strong aggregation for the resulting polymers. Historically, ffBX is successfully used in constructing high‐performance polymer donors for fullerene‐based OSCs. However, this unit is far less been explored in non‐fullerene OSCs. In this work, three ffBX‐based wide bandgap polymers (Oc00, Oc25, and Oc50) with varied solubilizing side chain content for application in non‐fullerene OSCs are reported. The polymers show matched energy levels and complementary optical absorption with the state‐of‐the‐art non‐fullerene acceptor Y6. Moreover, the polymer solubility, solid state packing, and bulk‐heterojunction morphology are finely tuned via side chain engineering. Encouragingly, a decent efficiency of 14.25% is realized by the polymer Oc25 when blended with Y6 due to the efficient charge transport and favorable active layer morphology. These results suggest the promising prospect of ffBX in constructing high‐performance polymer donors for non‐fullerene OSCs.
Comparative analysis of data‐driven methods for daily reference evapotranspiration estimation of Southern Caspian Sea
Authors: Bakhtiari Bahram , Mohebbi‐Dehaghani Alireza , Qaderi Kourosh
Published: August 2022

Reference evapotranspiration (ETo) as a component in the hydrological cycle is calculated using many methods. In this study, the capability of four data‐driven methods including artificial neural network (ANN), adaptive neuro‐fuzzy inference system (ANFIS), support vector machine (SVM), and M5 tree model has been evaluated for daily ETo estimation at the south of the Caspian Sea. Different combinations of climatic data, solar radiation (Rs), mean air temperature (Tmean), mean relative humidity (RHmean), and wind speed (U) during 1991–2020 were used as input variables. The data were divided into training and test data. The values generated from the methods were compared with those of the FAO‐56 Penman‐Monteith as a standard method. The results indicated that the accuracy of ANFIS was increased for estimating ETo, especially in validation phase, when all climatic variables were used as inputs in the synoptic stations. Totally, based on the evaluation of the performances, it was created that the ANFIS with Tmean, RHmean, Rs, and U variables had the best accuracy, while the ANN, SVM, and M5 with only one input of U had the worst performance. The ANFIS with Tmean and Rs was recommended for modelling ETo if there are fewer climatic variables in these regions.
A homozygous variant of WDR45B results in global developmental delay: Additional case and literature review
Authors: Zhang Jinhong , Lu Yan , Tian Xiaoyu , Men Xinyi , Zhang Yange , Yan Huifang , Yang Fan , Yang Zuozhen , Wang Xiuxia
Published: August 2022

Background

Global developmental delay (GDD) has a heterogeneous clinical profile among patients, accounting for approximately 1%–3% of cases in children. An increasing number of gene defects have been demonstrated to be associated with GDD; up to now, only limited studies have reported developmental disorders driven by WDR45B.

Methods

Trio‐whole exome sequencing (Trio‐WES) was performed for the patient and her family. All variants with a minor allele frequency <0.01 were selected for further interpretation according to the ACMG guidelines. Candidate pathogenic variants were validated by Sanger sequencing in her family.

Results

A homozygous nonsynonymous variant in WDR45B [NM_019613.4: c.677G>C (p. Arg226Thr)] was identified from the proband. The variant was absent in published databases such as gnomAD and Exome Aggregation Consortium (ExAC). The variant was predicted to be damaging for proteins and classified as VUS according to the ACMG guidelines. We reviewed the literature, and the development delay level in our case was less severe than the other reported cases.

Conclusion

We reported another case with a novel homozygous variant of WDR45B and showed the heterogeneity of clinical features.
Nonlinear magneto convection in an inclined porous layer with artificial neural network prediction
Authors: Reddy Gundlapally Shiva Kumar , Ragoju Ravi , Dey Prasenjit , Matta Anjanna
Published: August 2022

The onset of magnetoconvection in an inclined porous layer is investigated. The effects of physical parameters, such as the Rayleigh number, the inclination angle, and the Hartmann number, are examined. The system becomes more stable by increasing the inclination angle and Hartmann number. It is noted that the transverse rolls are more stable than the longitudinal rolls. A comparison between the linear and nonlinear instability analysis is discussed in more detail. The threshold values for the longitudinal and transverse rolls provide the subcritical instability region. It is noted that the subcritical instability region increases as the inclination angle also increases, whereas it remains unchanged as the Hartmann number increases. Besides, an artificial neural network (ANN) model using the Levenberg‐Marquardt backpropagation algorithm is employed to predict the distribution of critical Rayleigh numbers for both linear and nonlinear stability analyses. The optimal number of neurons in the hidden layer is selected on the basis of coefficient of determination, root mean square error, and root mean relative error. The simulated critical Rayleigh numbers obtained by the numerical study and the predicted critical Rayleigh numbers by the ANN coincides.
Event‐triggered control for sampled‐data set stabilization of switched delayed boolean control networks
Authors: Kong Xiangshan , Li Haitao
Published: August 2022

This paper considers the event‐triggered control design for the uniform sampled‐data set stabilization of switched delayed Boolean control networks (SDBCNs). First, using the algebraic state space representation method, SDBCNs are converted into the equivalent algebraic form. Second, using the algebraic form, the uniform sampled‐data reachable sets are constructed, based on which, a necessary and sufficient condition is obtained for the uniform sampled‐data set stabilization of SDBCNs. Finally, the event‐triggered mechanism is presented, and a sufficient condition is proposed to design the time‐variant state feedback event‐triggered controller for the uniform sampled‐data set stabilization of SDBCNs.
Construction of a digital fetus library for radiation dosimetry
Authors: Qu Shuiyin , Xie Tianwu , Giger Maryellen L. , Mao Xianqing , Zaidi Habib
Published: August 2022

Purpose

Accurate estimations of fetal absorbed dose and radiation risks are crucial for radiation protection and important for radiological imaging research owing to the high radiosensitivity of the fetus. Computational anthropomorphic models have been widely used in patient‐specific radiation dosimetry calculations. In this work, we aim to build the first digital fetal library for more reliable and accurate radiation dosimetry studies.

Acquisition and validation methods

Computed tomography (CT) images of abdominal and pelvic regions of 46 pregnant females were segmented by experienced medical physicists. The segmented tissues/organs include the body contour, skeleton, uterus, liver, kidney, intestine, stomach, lung, bladder, gall bladder, spleen, and pancreas for maternal body, and placenta, amniotic fluid, fetal body, fetal brain, and fetal skeleton. Nonuniform rational B‐spline (NURBS) surfaces of each identified region was constructed manually using 3D modeling software. The Hounsfield unit values of each identified organs were gathered from CT images of pregnant patients and converted to tissue density. Organ volumes were further adjusted according to reference measurements for the developing fetus recommended by the World Health Organization (WHO) and International Commission on Radiological Protection. A series of anatomical parameters, including femur length, humerus length, biparietal diameter, abdominal circumference (FAC), and head circumference, were measured and compared with WHO recommendations.

Data format and usage notes

The first fetal patient‐specific model library was developed with the anatomical characteristics of each model derived from the corresponding patient whose gestational age varies between 8 and 35 weeks. Voxelized models are represented in the form of MCNP matrix input files representing the three‐dimensional model of the fetus. The size distributions of each model are also provided in text files. All data are stored on Zenodo and are publicly accessible on the following link: https://zenodo.org/record/6471884.

Potential applications

The constructed fetal models and maternal anatomical characteristics are consistent with the corresponding patients. The resulting computational fetus could be used in radiation dosimetry studies to improve the reliability of fetal dosimetry and radiation risks assessment. The advantages of NURBS surfaces in terms of adapting fetal postures and positions enable us to adequately assess their impact on radiation dosimetry calculations.
The feasibility study of XACT imaging for characterizing osteoporosis
Authors: Li Yizhou , Samant Pratik , Cochran Christian , zhao Yue , Keyak Joyce H. , Hu Xiang , Yu Aixi , Xiang Liangzhong
Published: August 2022

Background

Osteoporosis is a progressive bone disease that is characterized by a decrease in bone mass and the deterioration in bone microarchitecture, which might be related to age and space travel. An unmet need exists for the development of novel imaging technologies to characterize osteoporosis.

Purpose

The purpose of our study is to investigate the feasibility of X‐ray‐induced acoustic computed tomography (XACT) imaging for osteoporosis detection.

Methods

An in‐house simulation workflow was developed to assess the ability of XACT for osteoporosis detection. To evaluate this simulation workflow, a three‐dimensional digital bone phantom for XACT imaging was created by a series of two‐dimensional micro‐computed tomography (micro‐CT) slices of normal and osteoporotic bones in mice. In XACT imaging, the initial acoustic pressure rise caused by the X‐ray induce acoustic (XA) effect is proportional to bone density. First, region growing was deployed for image segmentation of different materials inside the bone. Then k‐wave simulations were deployed to model XA wave propagation, attenuation, and detection. Finally, the time‐varying pressure signals detected at each transducer location were used to reconstruct the XACT image with a time‐reversal reconstruction algorithm.

Results

Through the simulated XACT images, cortical porosity has been calculated, and XA signal spectra slopes have been analyzed for the detection of osteoporosis. The results have demonstrated that osteoporotic bones have lower bone mineral density and higher spectra slopes. These findings from XACT images were in good agreement with porosity calculation from micro‐CT images.

Conclusion

This work explores the feasibility of using XACT imaging as a new imaging tool for Osteoporosis detection. Considering that acoustic signals are generated by X‐ray absorption, XACT imaging can be combined with traditional X‐ray imaging that holds potential for clinical management of osteoporosis and other bone diseases.
Was the impact of COVID‐19 on a spinal triage service as significant as expected? A retrospective service evaluation: Results and evaluation
Authors: Wood Lianne , Eveleigh Carla , Dixon Matthew , Dunstan Eleanor , Salem Khalid
Published: August 2022

Objectives

The aim of this evaluation was to review service outcomes for a spinal advanced practitioner physiotherapy (APP) triage service during COVID‐19. The evaluation compares outcomes gathered against pre‐pandemic data and evaluates the impact of the pandemic on service delivery.

Design

Service‐level data were extracted between 2019 and 2021 including: total referrals, new and follow‐up appointments, telehealth consultation rates, discharges at first appointment, magnetic resonance imaging and injection request rates. Multidisciplinary‐team (MDT) meeting notes with Spinal Surgeons were reviewed and surgical conversion calculated. Patient satisfaction data were collated using: Friends and Family test, specific questionnaires, individual and formal complaints and compliments, and telephone surveys. Analysis was performed by the lead author and results were compared between years using analysis of variance, as well as with previously reported data.

Setting

‘Nottingham University Hospitals’ National Health Services Trust is a secondary care spinal unit, using APPs to triage, assess and manage spinal conditions.

Results

In 2020, 407 (22%; p = 0.02) less patients were referred to the service, however, there was a significant increase in the number of telehealth attendances (mean = 50% in 2020 from 2019, p = 0.005). Only 13% (n = 1342) patients were discussed at MDT, of which 8% (n = 808) were discussed for surgical consideration, and 36% (n = 268) were directly listed. High levels of patient satisfaction were reported by 89% (n = 1028 of 1160) patients.

Conclusion

This service evaluation demonstrates a statistically significant change in numbers of patients referred and telehealth attendances in the year of the pandemic (2020). Surgical conversion declined during the pandemic, and did not recover post‐pandemic.
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

Detecting 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

Objective

The 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.

Methods

Data 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).

Results

A 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.

Conclusions

The 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

The 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

Coumestrol (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

Objectives

Children 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).

Methods

We performed a retrospective analysis of clinical charts of all 57 CM‐I patients seen between September 2013 and April 2017.

Results

A 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.

Conclusion

Our 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

Background

Our 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.

Methods

In 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.

Results

At 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].

Conclusions

Early 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

The 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

Inosine 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

The 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

Numerous 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

This 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

Green 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.
Communication‐efficient estimation and inference for high‐dimensional quantile regression based on smoothed decorrelated score
Authors: Di Fengrui , Wang Lei , Lian Heng
Published: August 2022

Distributed estimation based on different sources of observations has drawn attention in the modern statistical learning. In practice, due to the expensive cost or time‐consuming process to collect data in some cases, the sample size on each local site can be small, but the dimension of covariates is large and may be far larger than the sample size on each site. In this article, we focus on the distributed estimation and inference for a preconceived low‐dimensional parameter vector in the high‐dimensional quantile regression model with small local sample size. Specifically, we consider that the data are inherently distributed and propose two communication‐efficient estimators by generalizing the decorrelated score approach to conquer the slow convergence rate of nuisance parameter estimation and adopting the smoothing technique based on multiround algorithms. The risk bounds and limiting distributions of the proposed estimators are given. The finite sample performance of the proposed estimators is studied through simulations and an application to a gene expression dataset is also presented.
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

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.