bluuebunny/crossref_metadata_2025 huggingface dataset:
Biocatalytic asymmetric synthesis of secondary allylic alcohols using Burkholderia cepacia lipase immobilized on multiwalled carbon nanotubes
Authors: Dias Michele do Rocio Gonçalves , da Silva Gesieli Prado Cardoso , de Pauloveloso Alysson , Krieger Nadia , Pilissão Cristiane
Published: May 2022

The lipase from Burkholderia cepacia (BCL) was immobilized through physical adsorption on pristine and functionalized multiwalled carbon nanotubes (MWCNTs) with carboxyl or amine groups and used in the stereoselective acylation of (R,S)‐1‐octen‐3‐ol (1) and (R,S)‐(E)‐4‐phenyl‐3‐buten‐2‐ol (4) with vinyl acetate. All immobilized preparations produced better results than free BCL. For (R,S)‐4, 50% conversion and E > 200 were obtained in n‐hexane or in solvent‐free medium. For (R,S)‐1, in solvent‐free medium, the conversion was 38% with a slight increase in the E‐value (E = 10).
Quantitative Proteomics of Hepatic Drug‐Metabolizing Enzymes and Transporters in Patients With Colorectal Cancer Metastasis
Authors: Vasilogianni Areti‐Maria , Al‐Majdoub Zubida M. , Achour Brahim , Annie Peters Sheila , Barber Jill , Rostami‐Hodjegan Amin
Published: May 2022

The impact of liver cancer metastasis on protein abundance of 22 drug‐metabolizing enzymes (DMEs) and 25 transporters was investigated using liquid chromatography‐tandem accurate mass spectrometry targeted proteomics. Microsomes were prepared from liver tissue taken from 15 healthy individuals and 18 patients with cancer (2 primary and 16 metastatic). Patient samples included tumors and matching histologically normal tissue. The levels of cytochrome P450 (CYPs 2B6, 2D6, 2E1, 3A4, and 3A5) and uridine 5′‐diphospho‐glucuronosyltransferases (UGTs 1A1, 1A6, 1A9, 2B15, 2B4, and 2B7) were lower in histologically normal tissue from patients relative to healthy controls (up to 6.6‐fold) and decreased further in tumors (up to 21‐fold for CYPs and 58‐fold for UGTs). BSEP and MRPs were also suppressed in histologically normal (up to 3.1‐fold) and tumorous tissue (up to 6.3‐fold) relative to healthy individuals. Abundance of OCT3, OAT2, OAT7, and OATPs followed similar trends (up to 2.9‐fold lower in histologically normal tissue and up to 16‐fold lower in tumors). Abundance of NTCP and OCT1 was also lower (up to 9‐fold). Interestingly, monocarboxylate transporter MCT1 was more abundant (3.3‐fold) in tumors, the only protein target to show this pattern. These perturbations could be attributed to inflammation. Interindividual variability was substantially higher in patients with cancer. Proteomics‐informed physiologically‐based pharmacokinetic (PBPK) models of 50 drugs with different attributes and hepatic extraction ratios (Simcyp) showed substantially lower drug clearance with cancer‐specific parameters compared with default parameters. In conclusion, this study provides values for decreased abundance of DMEs and transporters in liver cancer, which enables using population‐specific abundance for these patients in PBPK modeling.
A frequency divider using interacting self‐sustained pulses in a tunnel‐diode‐oscillator lattice
Authors: Narahara Koichi
Published: May 2022

An effective method for frequency division, which uses interacting self‐sustained solitary waves propagating in a one‐dimensional tunnel‐diode oscillator lattice, is discussed. When two pulses are input successively, it is found that there is a threshold separation below which the following pulse is significantly attenuated to disappear on the way, which only slightly influences the leading pulse. This phenomenon results in an efficient frequency divider with a high division ratio, which requires a relatively small number of lattice cells. In this study, we illustrate the fundamental dynamics of the self‐sustained pulse interactions and principal operation of frequency division with several experimental validations.
Fecal microbiota and diets of muskox female adults and calves
Authors: Cheon Ji‐Yeon , Cho Hyunjun , Kim Mincheol , Park Hyun Je , Park Tae‐Yoon S. , Lee Won Young
Published: May 2022

In mammals, the gut microbiome is vertically transmitted during maternal lactation at birth. In this study, we investigated the gut microbiome and diets of muskox, a large herbivore inhabiting in the high Arctic. We compared the microbiota composition using bacterial 16S rRNA gene sequencing and diets using stable isotope analysis of muskox feces of six female adults and four calves on Ella Island, East Greenland. Firmicutes were the most abundant bacterial phylum in both the adults and calves, comprising 94.36% and 94.03%, respectively. Significant differences were observed in the relative abundance of the two Firmicutes families. The adults were primarily dominated by Ruminococcaceae (73.90%), and the calves were dominated by both Ruminococcaceae (56.25%) and Lachnospiraceae (24.00%). Stable isotope analysis of the feces in the study area revealed that both adults and calves had similar ranges of 13C and 15N, likely derived from the dominant diet plants. Despite their similar diets, the different gut microbiome compositions in muskox adults and calves indicate that the gut microbiome of the calves may not be fully colonized to the extent of that of the adults.
Efficient Asymmetric Synthesis of an A‐Ring Synthon for Pd‐Catalyzed Preparation of 1α‐Hydroxyvitamin D Metabolites and Analogs
Authors: Loureiro Julian , Kattner Lars , Mouriño Antonio
Published: May 2022

The secondary parallel hypercalcemic effects associated with the treatment of several hyperproliferative diseases with the natural hormone 1α,25‐dihydroxyvitamin D3 (calcitriol) and/or known active vitamin D metabolites and analogs, demand the development of efficient and rapid methods for the preparation of vitamin D receptor (VDR) ligands as new selective and non‐calcemic agonists. Here we describe an efficient and adaptable multigram‐scale synthetic sequence to access an A‐ring synthon as useful precursor of the vitamin D triene system of 1α‐hydroxylated vitamin D derivatives via Pd‐catalyzed carbocyclization/Suzuki–Miyaura cross‐coupling reactions in a protic medium. The key step is an asymmetric Lewis acid‐promoted carbonyl‐ene reaction to a chiral glyosylate ester to establish the 1α‐hydroxyl group of 1α,25‐dihydroxyvitamin D3 and its derivatives.
An attention‐based synthetic battery data augmentation technique to overcome limited dataset challenges
Authors: Channegowda Janamejaya , Maiya Vageesh , Joshi Niharika , Raj Urs Vinayak , Lingaraj Chaitanya
Published: May 2022

Large‐scale global efforts for electrifying different modes of transportation have fueled the need for energy‐dense storage systems. Lithium‐ion batteries have shown promise to be a favourable technology to power pure electric vehicles, off‐board storage systems for microgrids and other hybrid vehicle applications. Accurate estimation of vital battery parameters, such as state‐of‐charge, enable the user to predict remaining useful life of lithium‐ion batteries. Although multiple data‐driven techniques over the years have improved prediction accuracy, lack of high‐quality data continues to be a challenge which has been largely ignored in literature. Commercial battery manufacturers fail to release their datasets due to privacy concerns thereby worsening this crisis. The limited data challenge has been further aggravated due to advent of novel charging techniques, such as pulsed discharge and constant‐temperature charging profile. This article aims to resolve this data scarcity issue by employing an attention‐based technique to generate reliable synthetic data. The generated data will greatly assist researchers to develop reliable battery ageing prediction models. The approach followed in this article consumes very less computational resources as well.
How do firms hedge in financial distress?
Authors: Dudley Evan , Andrén Niclas , Jankensgård Håkan
Published: May 2022

We examine how firms hedge in financial distress. Using hand‐collected data from oil and gas producers, we find that these firms hedge oil prices during periods of financial distress. Derivative portfolios in these firms are characterized by short put options. These positions are part of a composite three‐way (3W) collar strategy that combines buying put options and selling put and call options with differing strike prices. Because liquidity demand varies with the degree of financial distress, the 3W collar strategy preserves incentives for future growth.
“We'd be really motivated to do something about it”: A qualitative study of parent and clinician attitudes towards predicting childhood obesity in practice
Authors: Canfell Oliver J. , Littlewood Robyn , Wright Olivia R. L. , Walker Jacqueline L.
Published: May 2022

Issue addressed

In Australia, one in four (24.9%) children live with overweight or obesity (OW/OB). Identifying infants at risk of developing childhood OW/OB is a potential preventive pathway, but its acceptability is yet to be investigated in Australia. This study aimed to (1) investigate the acceptability of predicting childhood OW/OB with parents of infants (aged 0‐2 years) and clinicians and (2) explore key language to address stigma and maximise the acceptability of predicting childhood OW/OB in practice.

Methods

This was a cross‐sectional and qualitative design, comprising individual semi‐structured interviews. Participants were multidisciplinary paediatric clinicians (n = 18) and parents (n = 13) recruited across public hospitals and health services in Queensland, Australia. Data were analysed under the Framework Method using an inductive, thematic approach.

Results

Five main themes were identified: (1) Optimism for prevention and childhood obesity prediction, (2) parent dedication to child's health, (3) adverse parent response to risk for childhood obesity, (4) language and phrasing for discussing weight and risk and (5) clinical delivery. Most participants were supportive of using a childhood OW/OB prediction tool in practice. Parents expressed dedication to their child's health that superseded potential feelings of judgement or blame. When discussing weight in a clinical setting, the use of sensitive (ie, “overweight”, “above average”, “growth” versus “obesity”) and positive, health‐focused language was mostly supported.

Conclusions

Multidisciplinary paediatric clinicians and parents generally accept the concept of predicting childhood OW/OB in practice in Queensland, Australia.

So what?

Clinicians, public health and health promotion professionals and policymakers can act now to implement sensitive communication strategies concerning weight and obesity risk.
Entropy generation on unsteady stagnation‐point Casson nanofluid flow past a stretching sheet in a porous medium under the influence of an inclined magnetic field with homogeneous and heterogeneous reactions
Authors: Mahato R. , Das M. , Sen S. S. S. , Shaw S.
Published: May 2022

This study explores the entropy generation analysis on unsteady nonlinear radiative ethylene glycol‐based Casson nanofluid flow near stagnation point towards a stretching sheet through a porous medium. Analysis has been accomplished in the presence of an inclined magnetic field, heat generation, homogeneous–heterogeneous reactions, and viscous dissipation with velocity slip and convective boundary conditions. The nondimensional governing equations are solved by the shooting technique with the help of the RK45 method. We have experimented with copper and silver nanoparticles and a comparative analysis has been highlighted for both copper and silver nanofluids. Numerical outcomes are executed by the MATLAB built‐in bvp4c function. The consequences of the experiment for various pertinent flow parameters are portrayed by graphs and tables for both the Ag‐ and Cu‐Casson nanofluids. Results reveal that the enhancement of nanoparticles volume fraction accelerates temperature but it slows down concentration and velocity distributions. Higher values of the Eckert number boost velocity and temperature but reduce skin friction coefficient and Nusselt number. Enhancement of the Brinkman number boosts up entropy generation but it slows down Bejan's number. The results of the model can be applied in the movement of biological fluids, separation of biomolecules, glass manufacturing, paper production, food processing, crude oil purification, polymer drag reduction, and cooling atomic reactors.
The differentially expressed proteins related to clinical viral encephalitis revealed by proteomics
Authors: Wang Qian , Yan Shan‐Shan , Zhang Jun‐Yan , Du Ruo‐Lan , Xue Lu‐Lu , Li Juan , Yu Chang‐Yin
Published: May 2022

To screen out the prospective biomarkers of viral encephalitis (VE), analyze the biological process and signaling pathways involved by differentially expressed proteins (DEPs). A total of 11 cerebrospinal fluid (CSF) samples with VE and 5 with non‐nervous system infection were used to perform label‐free proteomic techniques. Then, the bioinformatic analysis of DEPs was applied by Interproscan software. Moreover, 73 CSF samples in the VE group and 53 in the control group were used to verify the changes of some DEPs by enzyme‐linked immunosorbent assay (ELISA). Thirty‐nine DEPs were identified, including 18 upregulated DEPs and 21 downregulated DEPs. DEPs were mainly enriched in cell adhesion molecules by Kyoto Encyclopedia of Genes and Genomes analysis pathway analysis. The DEPs related to axon tissue were obviously downregulated and the most significant downregulated proteins were neurexin 3, neurofascin, and neuroligin 2 (NLGN2). Moreover, the protein expression of NLGN2 in the VE group was significantly higher than that in the control group by ELISA. The correlation analysis of NLGN2 in the VE group revealed that there was a weak positive correlation with CSF protein and a weak negative correlation with CSF chloride. The clinical VE may be closely related to NLGN2 and the cell adhesion molecule pathway.
Yes, but … We need reliability to advance infant work, but there's more to consider too: Important nuances of reliability and the need to include validity
Authors: Kucker Sarah C. , Chmielewski Michael
Published: May 2022

The field of development needs more reliable infant work – improving our measures and methods is at the heart of accurately understanding why children do what they do! However, as scientists, we cannot stop with reliability but must also include measures of validity in our studies. In this commentary, we clarify and expand upon discussions of reliability and measurement error. We also argue for the importance of assessing the validity of our measures and tasks. Indeed, careful considerations of both reliability and validity are necessary for improving infant research.

Highlights

Improving the reliability of infant work is critical; however, reliability by itself is not sufficient for advancing science.

Capturing multiple types of reliability and indices of validity will lead to the best measures and tools for researchers.

A careful consideration of both reliability and validity are necessary for improving infant research.
Efficacy of cabozantinib therapy for brain metastases from renal cell carcinoma
Authors: Nakagawa Takashi , Kijima Toshiki , Imasato Naoki , Nagoshi Akihiko , Nakamura Gaku , Uematsu Toshitaka , Suzuki Issei , Nishihara Daisaku , Kamai Takao
Published: May 2022

Introduction

We report two cases of renal cell carcinoma with brain metastases that showed remarkable responses to cabozantinib.

Case presentation

(Case 1) A 70‐year‐old man with cT3aN0M0 clear cell renal cell carcinoma underwent radical nephrectomy and developed multiple brain metastases 2 months postoperatively. The brain lesions regressed after stereotactic radiotherapy followed by ipilimumab plus nivolumab therapy, but a new brain metastasis that caused hemiplegia developed after 6 months and showed no response to stereotactic radiotherapy. However, complete remission was achieved, and hemiplegia ceased within 2 weeks of cabozantinib therapy. (Case 2) A 63‐year‐old man with cT3aN0M1 clear cell renal cell carcinoma and brain metastases underwent upfront cytoreductive nephrectomy. The brain lesions progressed rapidly 1 month postoperatively. The lesions disappeared 2 weeks after cabozantinib plus nivolumab therapy.

Conclusion

Cabozantinib, alone or in combination with immune checkpoint inhibitors, may be a viable option for clear cell renal cell carcinoma with brain metastases.
How to proceed after “negative” exome: A review on genetic diagnostics, limitations, challenges, and emerging new multiomics techniques
Authors: Wortmann Saskia B. , Oud Machteld M. , Alders Mariëlle , Coene Karlien L. M. , van der Crabben Saskia N. , Feichtinger René G. , Garanto Alejandro , Hoischen Alex , Langeveld Mirjam , Lefeber Dirk , Mayr Johannes A. , Ockeloen Charlotte W. , Prokisch Holger , Rodenburg Richard , Waterham Hans R. , Wevers Ron A. , van de Warrenburg Bart P. C. , Willemsen Michel A. A. P. , Wolf Nicole I. , Vissers Lisenka E. L. M. , van Karnebeek Clara D. M.
Published: May 2022

Exome sequencing (ES) in the clinical setting of inborn metabolic diseases (IMDs) has created tremendous improvement in achieving an accurate and timely molecular diagnosis for a greater number of patients, but it still leaves the majority of patients without a diagnosis. In parallel, (personalized) treatment strategies are increasingly available, but this requires the availability of a molecular diagnosis. IMDs comprise an expanding field with the ongoing identification of novel disease genes and the recognition of multiple inheritance patterns, mosaicism, variable penetrance, and expressivity for known disease genes. The analysis of trio ES is preferred over singleton ES as information on the allelic origin (paternal, maternal, “de novo”) reduces the number of variants that require interpretation. All ES data and interpretation strategies should be exploited including CNV and mitochondrial DNA analysis. The constant advancements in available techniques and knowledge necessitate the close exchange of clinicians and molecular geneticists about genotypes and phenotypes, as well as knowledge of the challenges and pitfalls of ES to initiate proper further diagnostic steps. Functional analyses (transcriptomics, proteomics, and metabolomics) can be applied to characterize and validate the impact of identified variants, or to guide the genomic search for a diagnosis in unsolved cases. Future diagnostic techniques (genome sequencing [GS], optical genome mapping, long‐read sequencing, and epigenetic profiling) will further enhance the diagnostic yield. We provide an overview of the challenges and limitations inherent to ES followed by an outline of solutions and a clinical checklist, focused on establishing a diagnosis to eventually achieve (personalized) treatment.
Which test is the best? An updated literature review of imaging modalities for acute ankle diastasis injuries
Authors: Ng Nico , Onggo James Randolph , Nambiar Mithun , Maingard Julian Tam , Ng David , Gupta Gaurav , Nandurkar Dee , Babazadeh Sina , Bedi Harvinder
Published: May 2022

Ankle diastasis injuries, or ankle syndesmotic injuries, are common among athletes who usually experience a traumatic injury to the ankle. Long‐term complications are avoidable when these injuries are diagnosed promptly and accurately treated. Whilst ankle arthroscopy remains the gold standard diagnostic modality for ankle diastasis injuries, imaging modalities are still widely utilised due to the treatment having greater accessibility, being less invasive and the most cost effective. There are various imaging modalities used to diagnose diastasis injuries, varying in levels of specificity and sensitivity. These observation methods include; X‐ray, computed tomography (CT), magnetic resonance imaging (MRI) and ankle arthroscopy. This article uncovers common criteria and parameters to diagnose diastasis injuries through the implementation of different imaging modalities. The conclusions addressed within this article are deduced from a total of 338 articles being screened with only 43 articles being selected for the purposes of this examination. Across most articles, it was concluded that that plain X‐ray should be used in the first instance due to its wide availability, quick processing time, and low cost. CT is the next recommended investigation due to its increased sensitivity and specificity, ability to show the positional relationship of the distal tibiofibular syndesmosis, and reliability in detecting minor diastasis injuries. MRI is recommended when ankle diastasis injuries are suspected, but not diagnosed on previous imaging modalities. It has the highest sensitivity and specificity compared to X‐ray and CT.
Decoupled abiotic and biotic drivers of aboveground and topsoil organic carbon stocks in temperate forests
Authors: Kazempour Larsary Maryam , Pourbabaei Hassan , Salehi Ali , Yousefpour Rasoul , Ali Arshad
Published: May 2022

Forests are major components of global carbon (C) cycling, and hence, it is crucial to explore the drivers of forest functions related to C sequestration. Here, using the multiple linear regression models (MLMs) and structural equation models (SEMs), we evaluated how abiotic (i.e., soil nutrients and topography) and biotic [i.e., functional trait diversity (FTD) and functional trait identity (FTI)] factors regulate aboveground C (AGC) and topsoil (0–30 cm) organic C (SOC) stocks across 104 plots in temperate forests of Northern Iran. The optimal MLMs showed that the community‐weighted mean (CWM) of wood density and functional divergence increased, but functional evenness decreased AGC stock, where FTI values contributed much (i.e., 74.40%) to the explained variance in AGC stock as compared to FTD indices (12.86%) and abiotic factors (12.74%). On contrary, SOC stock was mainly promoted by soil‐available phosphorus, where abiotic factors contributed much (92.62%) to the explained variance as compared to FTD indices (6.73%) and FTI values (0.65%). The final best‐fitted SEMs showed that AGC stock was strongly controlled (β = 0.64) by FTI values (i.e., a latent variable of CWM of wood density and plant maximum height), whereas SOC stock was strongly controlled (β = 0.74) by abiotic factors (i.e., a latent variable of soil‐available phosphorus and total nitrogen). We argue that suitable functional strategies in combination with soil nutrients should be taken into priority during the forestland management and policy plans for the improvement of C stocks in above‐ and belowground compartments of forest ecosystems.
Spatial–temporal dynamics and recovery mechanisms of dried soil layers under Robinia pseudoacacia forest based on in‐situ field data from 2017 to 2020
Authors: He Meina , Wang Yunqiang , Wang Li , Jia Xiaoxu , Zhao Chunlei , Zhang Pingping
Published: May 2022

Planting Robinia pseudoacacia in water‐limited regions can promote soil and water conservation and ecological service functions. However, it can cause the formation of below ground dried soil layers (DSLs), causing land degradation and tree mortality. To ascertain the spatial–temporal dynamics and recovery processes of DSLs, we monitored the deep soil water content (SWC) to a depth of 500 cm at 27 sites on a typical R. pseudoacacia forest from 2017 to 2020 and calculated the evaluation indices of DSLs based on plant‐available SWC (PASWC) and stable field capacity (SFC). Compared with PASWC‐identified DSLs, the degree of SFC‐identified DSLs was more severe, although the spatial–temporal characteristics were similar. Severe soil desiccation was identified as 79% of the 500 cm profile dried out below 101 cm. The mean thickness of DSL and mean SWC within a DSL were 396 cm and 9.0%, respectively, and the quantitative index reached Grade III (severe) DSLs. All DSL indices demonstrated weak or moderate variability in space and strong variability in time. The heterogeneity of rainfall events and microtopographic positions explain the spatial–temporal variation of DSL indices well. A heavy rainfall event (>50 mm) triggered the disappearance of DSLs at some sites, indicating the possibility of DSLs recovery based on field observations under natural condition. Microtopography (such as the swales) provides advantageous conditions to the recovery of DSLs by redistributing rainfall flow at the local scale. These results provide insights into DSLs recovery, which is useful for land development and rehabilitation in planted forests.
Continuity of daily temperature time series in the transition from conventional to automated stations for the Colombian coffee network
Authors: Ramírez Carabalí Carolina , Sarmiento Herrera Ninibeth Gibelli , Imbachi Quinchua Luis Carlos , García López Juan Carlos
Published: May 2022

The transition from conventional weather stations (CWSs) to automated weather stations (AWSs) of the Colombian coffee network has required testing their performance and adjusting the temperature measurements to ensure the continuity of the historical CWS series. In this study, the mean (Tmean), minimum (Tmin), and maximum temperature (Tmax) measurements of CWS and AWS operating in parallel at 36 locations between 2014 and 2019 were compared, and the biases of the daily temperature differences (CWS − AWS), the agreement index (d), and the percentage of data within the allowed range (PR05) were calculated. The most consistent method for calculating Tmean and Tmax for CWS was selected for use on the AWS data. With the standard normal homogeneity test and with the metadata, we found that the series of temperature differences between CWS and AWS was not homogeneous, instrument failures and sensor changes being the main causes of the lack of homogeneity. The statistical analyses indicated that the AWS data need to be adjusted to be continuous with the CWS series. To correct the temperature bias, two approaches were applied: quantile mapping and the additive constant. The results suggest that the quantile mapping adjustments improve the average bias at all stations but do not necessarily bring the percentage to within ±0.5°C. In Tmin and Tmean, 12 AWSs can give continuity with the historical series of the CWS, and for the rest of the stations and variables, the series of the AWSs are independent of the CWSs.
Fractional integration by parts and Sobolev‐type inequalities for ψ$$ \psi $$‐fractional operators
Authors: Torres Ledesma César E. , Sousa José Vanterler da C.
Published: May 2022

In the present paper, we investigate the Hardy–Littlewood type and the integration by parts result for
–Riemann–Liouville fractional integrals. Also, we attack the integration by parts for the
–Riemann–Liouville and
–Hilfer fractional derivatives. To finish, we investigated Sobolev‐type inequalities involving the
–Riemann–Liouville and the
–Hilfer fractional derivatives in weighted space.
Comparison of strength testing modalities in dysferlinopathy
Authors: Reash Natalie F. , James Meredith K. , Alfano Lindsay N. , Mayhew Anna G. , Jacobs Marni , Iammarino Megan A. , Holsten Scott , Sakamoto Chikako , Tateishi Takayuki , Yajima Hiroyuki , Duong Tina , de Wolf Brittney , Gee Richard , Bharucha‐Goebel Diana X. , Bravver Elena , Mori‐Yoshimura Madoka , Bushby Kate , Rufibach Laura E. , Straub Volker , Lowes Linda P. ,   for the Jain COS Consortium
Published: May 2022

Introduction/Aims

Dysferlinopathy demonstrates heterogeneity in muscle weakness between patients, which can progress at different rates over time. Changing muscle strength due to disease progression or from an investigational product is associated with changing functional ability. The purpose of this study was to compare three methods of strength testing used in the Clinical Outcome Study (COS) for dysferlinopathy to understand which method and which muscle groups were most sensitive to change over time.

Methods

Patients were evaluated at each study visit using functional scales, manual muscle testing, and handheld dynamometry (HHD) at all 15 sites. A fixed‐frame system (Fixed) was used at a subset of seven sites. Screening and baseline visits were evaluated for reliability. Data over a 1‐year period were analyzed to determine sensitivity to change among strength modalities and individual muscle groups.

Results

HHD and Fixed captured significant change across 1 year in summed muscle strength score of four muscle groups (P < .01). Strength summed scores were significantly correlated with functional scales (rho = 0.68‐0.92, P < .001). Individual muscle groups, however, showed high levels of variability between visits.

Discussion

Although both HHD and Fixed demonstrate change over 12 months, HHD is a less expensive option that provides data on a continuous scale and may be easier to implement. Due to variability in strength measures, researchers should carefully consider use of strength testing as an outcome and may wish to select functional measures with less variability as clinical trial endpoints.
Quasistatic fracture using nonlinear‐nonlocal elastostatics with explicit tangent stiffness matrix
Authors: Diehl Patrick , Lipton Robert
Published: May 2022

We apply a nonlinear‐nonlocal field theory for numerical calculation of quasistatic fracture. The model is given by a regularized nonlinear pairwise potential in a peridynamic formulation. The potential function is given by an explicit formula with an explicit first and second derivatives. This fact allows us to write the entries of the tangent stiffness matrix explicitly thereby saving computational costs during the assembly of the tangent stiffness matrix. We validate our approach against classical continuum mechanics for the linear elastic material behavior. In addition, we compare our approach to a state‐based peridynamic model that uses standard numerical derivations to assemble the tangent stiffness matrix. The numerical experiments show that for elastic material behavior our approach agrees with both classical continuum mechanics and the state‐based model. The fracture model is applied to produce a fracture simulation for a ASTM E8 like tension test. We conclude with an example of crack growth in a pre‐cracked square plate. For the pre‐cracked plate, we investigated load in force (soft loading) and load in displacement (hard loading). Our approach is novel in that only bond softening is used as opposed to bond breaking. For the fracture simulation we have shown that our approach works with and without initial damage for two common test problems.
Enhance Your Treatment Process With Manganese Contactors
Authors: Knocke William R. , Mantilla‐Peña Carlos F. , Tobiason John E.
Published: May 2022

Water utilities in Connecticut, Maine, and Virginia tested, at pilot and full scale, a new approach for removing manganese from drinking water.
Prenatal diagnosis of Cornelia de Lange syndrome from 12 to 17 weeks' gestation
Authors: Wu Ting , Chen Jiao
Published: May 2022

Key points

What's already known about this topic?

The earliest reported prenatal ultrasound findings of facial features in Cornelia de Lange syndrome (CdLS) were before 20 weeks of gestation.

What does this study add?

This study showed the typical facial and head features of CdLS, including a smooth long philtrum and thin upper lip, a small upturned nose and anteverted nostrils, low‐set ears, and retrognathia. Recognizing the specific facial features of CdLS on two‐dimensional and three‐dimensional ultrasound is possible in the early second trimester.
Does plasma jet sintering follow an Arrhenius‐type expression?
Authors: Turan Nazli , Saeidi‐Javash Mortaza , Zhang Yanliang , Go David B.
Published: May 2022

Atmospheric pressure, ambient temperature plasma jets have become a promising candidate for material processing in parallel with developments in additive manufacturing. Recent work has shown that plasma jets can be used to sinter printed nanoparticles at temperatures much lower than typically required for conventional thermal sintering. Here, we conduct a mechanistic study on plasma jet sintering that correlates specific energy input with the electrical conductivity of printed silver films after sintering. Increasing the specific energy input accelerated the sintering process following an Arrhenius‐like exponential trend across a large range of conditions, including both helium and argon plasma jets. Although an exponential relationship is also found with the plasma heated substrate temperature, independent studies indicate that heating is not the primary mechanism. These results suggest there is a general behavior that couples the plasma jet with the surface.
Exploration of quantitative site‐specific serum O‐glycoproteomics with isobaric labeling for the discovery of putative O‐glycoprotein biomarkers
Authors: Zhang Zihan , Xu Hua , Tian Zhixin
Published: May 2022

Purpose

Exploration study of site‐specific isobaric‐TMT‐labeling quantitative serum O‐glycoproteomics for the discovery of putative O‐glycoprotein cancer biomarkers.

Experimental design

Sera of 10 breast cancer patients was used as the exploration cohort. More abundant N‐glycosylation was first removed with PNGase F. After tryptic digestion of de‐N‐glycosylated serum proteome, the TMT‐labeled O‐glycopeptides mixture was prepared and analyzed with RPLC‐MS/MS. Site‐specific qualitative and quantitative database search of O‐glycopeptides was carried out with pGlyco 3.0. The same raw datasets were also searched with intact N‐glycopeptide search engine GPSeeker to exclude possible interference of N‐glycosylation. The final IDs were checked manually with GlcNAc‐containing glycosite‐determining fragment ions for confirmation.

Results

With the control of spectrum‐level FDR ≤ 1% and manual validation, 299 O‐glycopeptides corresponding to 83 O‐glycosites and 66 O‐glycoproteins were identified, and 13 O‐glycopeptides were found differentially expressed. Most interestingly, differential O‐glycosylation was observed for IgG1 and IgG3, which is an interesting putative biomarker panel.

Conclusion and clinical relevance

Isobaric‐labeling site‐specific quantitative O‐glycoproteomics is currently a state‐of‐the‐art instrumental platform for discovery of putative seral cancer biomarkers. Differential seral O‐glycosylation was observed in the IgG1 and IgG3.
Development and application of a pediatric mechanistic kidney model
Authors: Salem Farzaneh , Small Ben G. , Johnson Trevor N.
Published: May 2022

Pediatric physiologically‐based pharmacokinetic (P‐PBPK) models have been used to predict age related changes in the pharmacokinetics (PKs) of renally cleared drugs mainly in relation to changes in glomerular filtration rate. With emerging data on ontogeny of renal transporters, mechanistic models of renal clearance accounting for the role of active and passive secretion should be developed and evaluated. Data on age‐related physiological changes and ontogeny of renal transporters were applied into a mechanistic kidney within a P‐PBPK model. Plasma concentration–time profile and PK parameters of cimetidine, ciprofloxacin, metformin, tenofovir, and zidovudine were predicted in subjects aged 1 day to 18 years. The predicted and observed plasma concentration–time profiles and PK parameters were compared. The predicted concentration–time profile means and 5th and 95th percent intervals generally captured the observed data and variability in various studies. Overall, based on drugs and age bands, predicted to observed clearance were all within two‐fold and in 11 of 16 cases within 1.5‐fold. Predicted to observed area under the curve (AUC) and maximum plasma concentration (Cmax) were within two‐fold in 12 of 14 and 12 of 15 cases, respectively. Predictions in neonates and early infants (up to 14 weeks postnatal age) were reasonable with 15–20 predicted PK parameters within two‐fold of the observed. ciprofloxacin but not zidovudine PK predictions were sensitive to basal kidney uptake transporter ontogeny. The results indicate that a mechanistic kidney model accounting for physiology and ontogeny of renal processes and transporters can predict the PK of renally excreted drugs in children. Further data especially in neonates are required to verify the model and ontogeny profiles.
Evaluation of drug–drug interaction potential for pemigatinib using physiologically based pharmacokinetic modeling
Authors: Ji Tao , Chen Xuejun , Yeleswaram Swamy
Published: May 2022

Pemigatinib is a potent inhibitor of fibroblast growth factor receptor being developed for oncology indications. It is primarily metabolized by cytochrome P450 (CYP) 3A4, and the ratio of estimated concentration over concentration required for 50% inhibition ratio for pemigatinib as an inhibitor of P‐glycoprotein (P‐gp), organic cation transporter‐2 (OCT2), and multidrug and toxin extrusion protein‐1 (MATE1) exceeds the cutoff values established in regulatory guidance. A Simcyp minimal physiologically based pharmacokinetic (PBPK) with advanced dissolution, absorption, and metabolism absorption model for pemigatinib was developed and validated using observed clinical pharmacokinetic (PK) data and itraconazole/rifampin drug–drug interaction (DDI) data. The model accurately predicted itraconazole DDI (approximate 90% area under the plasma drug concentration–time curve [AUC] and approximate 20% maximum plasma drug concentration [Cmax] increase). The model underpredicted rifampin induction by 100% (approximate 6.7‐fold decrease in AUC and approximate 2.6‐fold decrease in Cmax in the DDI study), presumably reflecting non‐CYP3A4 mechanisms being impacted. The verified PBPK model was then used to predict the effect of other CYP3A4 inhibitors/inducers on pemigatinib PK and pemigatinib as an inhibitor of P‐gp or OCT2/MATE1 substrates. The worst‐case scenario DDI simulation for pemigatinib as an inhibitor of P‐gp or OCT2/MATE1 substrates showed only a modest DDI effect. The recommendation based on this simulation and clinical data is to reduce pemigatinib dose for coadministration with strong and moderate CYP3A4 inhibitors. No dose adjustment is required for weak CYP3A4 inhibitors. The coadministration of strong and moderate CYP3A4 inducers with pemigatinib should be avoided. PBPK modeling suggested no dose adjustment with P‐gp or OCT2/MATE1 substrates.
How preservice and in‐service elementary teachers engage student avatars in scientific argumentation within a simulated classroom environment
Authors: Mikeska Jamie N. , Lottero‐Perdue Pamela S.
Published: May 2022

Engaging students in scientific argumentation is a hallmark of high‐quality science instruction. Despite the importance of this practice, it is not a ubiquitous one within K‐12 classrooms since scientific argumentation is complex and difficult to learn how to do well. In this study, we examined similarities and differences in how preservice teachers (PSTs) and in‐service teachers (ISTs) facilitate an argumentation‐focused discussion with five upper elementary student avatars in an online, simulated classroom. Developing a better understanding of how science teachers at different stages of their career foster scientific argumentation will support teacher educators and researchers in designing more directed interventions to scaffold teacher learning of this complex practice. Findings showed that most teachers provided opportunities for students to engage in both argument construction and critique during these discussions. In addition, both PSTs and ISTs frequently prompted students to reference data or observations to engage in argument construction and were most likely to prompt students to agree or disagree and explain the reason for their agreement or disagreement to engage in argument critique. Finally, findings showed that ISTs used a wider variety of talk moves and used them more frequently in an integrated fashion throughout the discussions to engage the students in scientific argumentation. Implications for studying and promoting teacher learning of this complex teaching practice and for integrating simulated classrooms as practice‐based tools in science teacher education and professional development settings are discussed.
Synergistic Effect, Structural and Morphology Evolution, and Doping Mechanism of Spherical Br‐Doped Na3V2(PO4)2F3/C toward Enhanced Sodium Storage
Authors: Hu Zhuang , Zhang Ruijie , Fan Changling , Liu Xunlin , Gao Peng , Zhang Weihua , Liu Zhixiao , Han Shaochang , Liu Jinshui , Liu Jilei
Published: May 2022

Na3V2(PO4)2F3 has attracted wide attention due to its high voltage platform, and stable crystal structure. However, its application is limited by the low electronic conductivity and the ease formation of impurity. In this paper, the spherical Br‐doped Na3V2(PO4)2F3/C is successfully obtained by a one‐step spray drying technology. The hard template polytetrafluoroethylene (PTFE) supplements the loss of fluorine, forming porous structure that accelerates the infiltration of electrolyte. The soft template cetyltrimethylammonium bromide (CTAB) enables doping of bromine and can also control the fluorine content, meanwhile, the self‐assembly effect strengthens the structure and refines the size of spherical particles. The loss, compensation, and regulation mechanism of fluorine are investigated. The Br‐doped Na3V2(PO4)2F3/C sphere exhibits superior rate capability with the capacities of 116.1, 105.1, and 95.2 mAh g−1 at 1, 10, and 30 C, and excellent cyclic performance with 98.3% capacity retention after 1000 cycles at 10 C. The density functional theory (DFT) calculation shows weakened charge localization and enhanced conductivity, meanwhile the diffusion energy barrier of sodium ions is reduced with Br doping. This paper proposes a strategy to construct fluorine‐containing polyanions cathode, which enables the precise regulation of structure and morphology, thus leading to superior electrochemical performance.
Restricting the Formation of Pb–Pb Dimer via Surface Pb Site Passivation for Enhancing the Light Stability of Perovskite
Authors: Feng Xiangxiang , Liu Biao , Peng Yongyi , Gu Chenxi , Bai Xue , Long Mengqiu , Cai Mengqiu , Tong Chuanjia , Han Liyuan , Yang Junliang
Published: May 2022

Poor light stability hinders the potential applications of perovskite optoelectronic devices. Recent experiments have demonstrated that the passivation surface via forming strong chemical bonds (SO4‐Pb, PO4‐Pb, Cl‐Pb, O‐Pb, and S‐Pb) could effectively improve the light stability of perovskite solar cells. However, the underlying reasons are not clear. Herein, the elusive underlying mechanisms of light stability enhancement are explained in detail using first principles calculations. The small polaron model and self‐trapped exciton model demonstrate that an iodine vacancy defect on the surface of perovskite could trap a free electron under light illumination, which leads to a significant rearrangement of the Pb–I lattice and creats a new chemical species, i.e., a Pb–Pb dimer bound in the typical perovskite of CH3NH3PbI3. The Pb–Pb dimer distorts the Pb–I octahedral lattice and reduces the defect formation energy of the I atoms. The surface Pb site passivation can prevent the formation of the Pb–Pb dimer, thereby improving the light stability. In addition, the strong ionic bond could better stabilize the Pb site. The in‐depth understanding of the light stability and the passivation mechanism in this study can promote the application of perovskite optoelectronic devices.
Effect of High‐Temperature Deformation on Bainite Transformation of a Low‐Carbon Bainite Steel
Authors: Wei Zhirui , Gan Xiaolong , Hu Haijiang , Tian Junyu , Zhou Mingxing , Xu Guang
Published: May 2022

Unlike medium‐carbon and high‐carbon steels, the effect of the high‐temperature deformation process on the bainite transformation of low‐carbon steels is yet to be fully understood. Processes with varying high‐deformation temperatures and reductions are designed to investigate the bainitic transformation of low‐carbon steel. The results indicate that compared with the undeformed samples, for all deformation temperatures (850, 950, and 1050 °C) in the austenite temperature range, a small reduction of 5% accelerates the bainite transformation rate corresponding to the samples, and this can be attributed to the increase in the driving force. The promoting effect is increased with a decrease in deformation temperature. However, a relatively large reduction of the samples by 25% and 50% decreases the bainite transformation rate, and the inhibiting effect increases with decreasing deformation temperature. In addition, the amount of bainite increases at 1050 °C under all strains, and the amount is higher than the amount observed in undeformed samples. For the deformation temperature of 850 °C, the bainite amount increases under conditions of small reduction (5%), whereas the bainite amount decreases under large strain conditions (50% at 850 and 950 °C). The results provide a theoretical basis for optimizing the processing parameters associated with the production of low‐carbon bainite steels.
Nitrogen Steels and High‐Nitrogen Steels: Industrial Technologies and Properties
Authors: Svyazhin Alexandr , Kaputkina Liudmila , Smarygina Inga , Kaputkin Dmitry
Published: May 2022

Nitrogen pressure during melting can be a basis for the most general classification of steels alloyed by nitrogen. Nitrogen steels are made under normal pressure, and high‐nitrogen steels are made under pressure, being higher atmospheric in special units. Nitrogen, as well as carbon, strengthens and increases the thermal stability of austenite. The smaller size of the nitrogen ion compared with carbon results in smaller nitrides, lower surface energy and higher strengthening effect, and the ability to increase both the strength and corrosion resistance of austenite. Herein, the mechanisms of the influence of nitrogen on the properties of steel, the thermodynamics and kinetics of alloying with nitrogen, the critical concentration of nitrogen, and the influence of nitrogen on the properties of steels are considered. Examples of nitrogen and high‐nitrogen steels, including weld joints, steels with special properties, such as corrosion‐resistant steels in bioactive environments, bactericidal steel, and steels alloyed by C + N, are given.
Effects of crumb rubber inclusion on strength, permeability, and acid attack resistance of alkali‐activated concrete incorporating different industrial wastes
Authors: Pradhan Shashwati Soumya , Mishra Umesh , Biswal Sushant K. , Jangra Parveen , Pham Thong M. , Arora Saloni , Lim Yee Yan
Published: May 2022

This study examines the suitability of alternate binders and crumb rubber (CR) to produce light weight alkali‐activated concrete (AAC). For this, strength, and durability performance of AAC incorporating CR by partially replacing fine aggregate was studied. To produce AAC, four different binders, including fly ash, rice husk ash (RHA), metakaolin, and bottom ash were used. Fine aggregates were substituted with CR at 0%, 10%, 20%, and 30% for each AAC mix (with different binders). Furthermore, the mixes were prepared using 12 M sodium hydroxide (NaOH) solution, and the ratio of sodium silicate (Na2SiO3) to NaOH was taken as 2.5. The samples were cured at ambient temperature. Strength and durability properties, including permeability through water absorption and acid attack (hydrochloric acid [HCl] and sulfuric acid [H2SO4]), were also checked. Results of this study revealed that the strength decreased with the increase in CR content. Further, this decrease was high at 30% replacement but strength was satisfactory. AAC showed good relationships among compressive, flexural, and split tensile strengths. Similar footprints were observed for permeability results. However, highest water absorption was observed for bottom ash binder (with 30% substitution of CR). Mixes with fly ash and metakaolin binders outperformed the other mixes while comparing the compressive strength of acid exposed samples. Overall, a sustainable and durable light weight AAC can be prepared using 20% CR.