bluuebunny/crossref_metadata_2025 huggingface dataset:
Vaccine development and technology for SARS‐CoV‐2: Current insight
Authors: Cattel Luigi , Giordano Susanna , Traina Sara , Lupia Tommaso , Corcione Silvia , Angelone Lorenzo , La Valle Giovanni , De Rosa Francesco G. , Cattel Francesco
Published: October 2021

Severe acute respiratory syndrome coronavirus 2 is associated with a severe respiratory disease in China, that rapidly spread across continents. Since the beginning of the pandemic, available data suggested the asymptomatic transmission and patients were treated with specific drugs with efficacy and safety data not always satisfactory. The aim of this review is to describe the vaccines developed by three companies, Pfizer‐BioNTech, Moderna, and University of Oxford/AstraZeneca, in terms of both technological and pharmaceutical formulation, safety, efficacy, and immunogenicity. A critical analysis of Phases 1, 2, and 3 clinical trial results available was conducted, comparing the three vaccine candidates, underlining their similarities and differences. All candidates showed consistent efficacy and tolerability; although some differences can be noted, such as their technological formulation, temperature storage, which will be related to logistics and costs. Further studies will be necessary to evaluate long‐term effects and to assess the vaccine safety and efficacy in the general population.
Long‐term hypogonadism diminishes the neuroprotective effects of dietary genistein in young adult ovariectomized rats after transient focal ischemia
Authors: Oppong‐Gyebi Anthony , Metzger Daniel , Doan Trinh , Han Jordan , Vann Phillip H. , Yockey R. Andrew , Sumien Nathalie , Schreihofer Derek A.
Published: October 2021

Increasing age disproportionately increases the risk of stroke among women compared to men of similar age, especially after menopause. One of the reasons for this observation is a sharp drop in circulating estrogens. However, the timing of initiation of estrogen replacement after menopause is associated with mixed beneficial and detrimental effects, hence contributing to widespread mistrust of estrogen use. Agents including soy isoflavones are being assessed as viable alternatives to estrogen therapy. In this study, we hypothesized that the neuroprotective effects of genistein, a soy isoflavone are less sensitive to the length of hypogonadism in young adult ovariectomized rats following cerebral ischemia. We expected that long‐term hypogonadism will worsen motor and cognitive function, increase post‐stroke inflammation with no effect on the neuroprotection of genistein. We compared the effect of treatment with dietary genistein (GEN) on short‐term (2 weeks) and long‐term hypogonadism (12 weeks) in young adult ovariectomized Sprague–Dawley rats on sensorimotor function, cognition and inflammation after focal ischemia. Dorsal Silastic implant of 17β‐estradiol (E2) was used as a control for hormone therapy. Long‐term hypogonadism stroked rats performed worse than the short‐term hypogonadism stroked rats on the motor and cognitive function tests. GEN did not improve neurological assessment and motor learning after either short‐term or long‐term hypogonadism. GEN improved cognitive flexibility after short‐term hypogonadism but not after the long‐term. Both GEN and E2 reduced tissue loss after short‐term hypogonadism and reduced GFAP expression at the contralateral side of ischemia after long‐term hypogonadism. The length of hypogonadism may differentially influence the neuroprotective effects of both GEN and E2 on the motor and cognitive functions in young adult rats.
When foreign waves hit home shores: Organizational identification in psychological contract breach–violation relationships during international assignments
Authors: Schuster Tassilo , Bader Benjamin , Bader Anna Katharina , Rousseau Denise M.
Published: October 2021

In the context of international assignments, this study investigates the psychological contract breach–violation relationship from a multiparty employment perspective. Multiparty employment refers to arrangements where employees have concurrent psychological contracts with more than one party. Drawing on two waves of survey data from 221 expatriates, we find both direct relationships and asymmetric spillover effects of psychological contract breach on violation. Psychological contract breach by either the home or host organization is directly linked to psychological contract violation by the breaching party. Additionally, spillover effects occur such that a breach by the host predicts psychological contract violation by the home organization, though not the reverse. These relationships are shaped by the expatriates' organizational identification. Identification with the host buffers the direct effect between breach and violation by the host, while dual organizational identification mitigates the direct effect between breach and violation by the home organization. Identification with the home organization diminishes the spillover effect from host breach to home organization violation. The opposite, identification with the host, amplifies the spillover effect of host breach to home organization violation. By examining the distinct dynamics of home and host organization contract breach and violation, we develop theoretical implications for understanding PCs in multiparty work arrangements.
Angiopoietin‐like protein 2 deficiency promotes periodontal inflammation and alveolar bone loss
Authors: Jiang Chenxi , Yao Siqi , Guo Yi , Ma Li , Wang Xiaoxuan , Chen Yuan , Zhang Huihui , Cao Zhengguo
Published: October 2021

Background

Human periodontitis is a highly prevalent inflammatory disease that leads to connective tissue degradation, alveolar bone resorption, and tooth loss. Angiopoietin‐like 2 (ANGPTL2) regulates chronic inflammation in various diseases and is functionally involved in maintaining tissue homeostasis and promoting tissue regeneration, but there is limited information about its function in periodontitis. Here we investigated the expression and explicit role of ANGPTL2 in periodontitis.

Methods

Immunohistochemistry and quantitative real‐time PCR (qRT‐PCR) were used to detect the ANGPTL2 expression in periodontal tissues and periodontal ligament cells (PDLCs). A ligature‐induced periodontitis model was generated in wild‐type and ANGPTL2 knockout mice. qRT‐PCR and enzyme‐linked immunosorbent assay were used to assess the production of inflammatory cytokines and matrix metalloproteinases (MMPs) in cultured PDLCs. Western blot was performed to detect proteins in relevant signaling pathways.

Results

Increased ANGPTL2 expression was observed in inflamed periodontal tissues and PDLCs. ANGPTL2 deficiency promoted alveolar bone loss with enhanced osteoclastogenesis and inflammatory reactions in ligature‐induced periodontitis. Downregulation of ANGPTL2 remarkably enhanced expression levels of interleukin (IL)‐6, IL‐8, MMP1, and MMP13 inPorphyromonas gingivalislipopolysaccharide‐induced PDLCs, whereas ANGPTL2‐overexpressing PDLCs showed opposite trends. ANGPTL2 downregulation activated STAT3 and nuclear factor‐κB pathways and blocked Akt signaling under inflammatory environment. Treatment with a STAT3 inhibitor partially suppressed the inflammatory reaction of PDLCs mediated by ANGPTL2 knockdown.

Conclusions

Our study provides the first evidence of an anti‐inflammatory effect of ANGPTL2 in murine periodontitis. The findings demonstrate the critical and protective role of ANGPTL2 in alveolar bone loss and periodontal inflammation.
Trace determination of antifungal drugs in biological fluids through a developed approach of hydrogel‐based spin‐column micro‐solid‐phase extraction followed by LC‐MS/MS analysis
Authors: Manouchehri Mahshid , Seidi Shahram , Naseri Mohammad Taghi , Rouhollahi Ahmad
Published: October 2021

In the present research, a blended polyacrylamide‐chitosan hydrogel was synthesized. For the first time, the prepared sorbent was efficiently employed in a hydrogel‐based spin‐column setup as a promising format. The proposed method was applied for monitoring the trace amounts of ketoconazole, clotrimazole, and miconazole in blood samples. Effective adsorption and desorption parameters were optimized using a central composite design and the one‐variable‐at‐a‐time method. Under the optimal conditions, the calibration curves were linear in the range of 15.0–1000.0, 1.0–1000.0, and 2.0–1000.0 ng mL–1 for ketoconazole, clotrimazole, and miconazole, respectively, along with intra‐ and interday precision less than 8.4%. Limits of detection were obtained between 0.2 and 5.0 ng mL–1. The preconcentration factors were found in the range of 5.9–7.8. The introduced method was successfully applied for micro‐solid‐phase extraction of trace amounts of target antifungal drugs in blood samples, followed by liquid chromatography‐tandem mass spectrometry. Satisfactory relative recoveries of 94.5–103.5% were obtained, implying method reliability. Overall, the proposed method provides good accuracy and repeatability, high reusability, and good applicability to determine antifungal drugs in complex biological matrices.
Machine Learning Algorithms for Classification of First‐Trimester Fetal Brain Ultrasound Images
Authors: Gofer Stav , Haik Oren , Bardin Ron , Gilboa Yinon , Perlman Sharon
Published: October 2021

Objective

To evaluate the feasibility of machine learning (ML) tools for segmenting and classifying first‐trimester fetal brain ultrasound images.

Methods

Two image segmentation methods processed high‐resolution fetal brain images obtained during the nuchal translucency scan: “Statistical Region Merging” (SRM) and “Trainable Weka Segmentation” (TWS), with training and testing sets in the latter. Measurement of the fetal cerebral cortex in original and processed images served to evaluate the performance of the algorithms. Mean absolute percentage error (MAPE) was used as an accuracy index of the segmentation processing.

Results

The SRM plugin revealed a total MAPE of 1.71% ± 1.62 SD (standard deviation) and a MAPE of 1.4% ± 1.32 SD and 2.72% ± 2.21 SD for the normal and increased NT groups, respectively. The TWS plugin displayed a MAPE of 1.71% ± 0.59 SD (testing set). There were no significant differences between the training and testing sets after 5‐fold cross‐validation. The images obtained from normal NT fetuses and increased NT fetuses revealed a MAPE of 1.52% ± 1.02 SD and 2.63% ± 1.98 SD.

Conclusions

Our study demonstrates the feasibility of using ML algorithms to classify first‐trimester fetal brain ultrasound images and lay the foundation for earlier diagnosis of fetal brain abnormalities.
Identifying the flow paths and beneficiary ranges of the sand fixation service: A case‐study in Xilingol League, China
Authors: Xu Duanyang , Zhang Yue
Published: October 2021

The sand fixation service (SFS) is a function of vegetation ecosystems whereby sand is restrained and stabilized. It not only generates ecological benefits for local areas but also affects circulation media such as wind and has an impact on surrounding areas. Therefore, it is urgent to study the flow process and influence of the SFS, so as to provide a theoretical basis for cross‐regional ecological compensation. We chose Xilingol League (shorten as "Xilingol") as the study area and used the hybrid single‐particle Lagrangian integrated trajectory (HYSPLIT) model to comprehensively identify the spatial flow paths (FPs) and beneficiary ranges (BRs) of the SFS from 2000 to 2018. The results showed that there were 726 FPs of the SFS, which were mainly distributed in spring, accounting for 63.50% of the total FPs. The total area of the BRs was 279.50 × 104 km2, accounting for 29.15% of China's land area. The high‐frequency BRs were mainly distributed in the southeast of Inner Mongolia, northern Hebei, northern Liaoning, northern Beijing, and northwestern Jilin. In terms of BRs, farmland was the largest (92.09 × 104 km2) land cover type, accounting for 34.51% of the total area of the BRs, and the total beneficiary population and gross domestic product accounting for 44.53% and 50.06% of whole China in 2015. Identification of FPs and BRs of SFS in this study could provide a reference to make ecology compensation policy at national level.
Impact assessment of land cover and land use changes on soil erosion changes (2005–2015) in Pakistan
Authors: Gilani Hammad , Ahmad Adeel , Younes Isma , Abbas Sawaid
Published: October 2021

Abrupt changes in climatic conditions, exploitation of natural resources, and land degradation exacerbate soil erosion. This study provides a comprehensive assessment of soil erosion dynamics in Pakistan for 2005 and 2015 at 1 km2 spatial resolution using six influencing factors: rainfall erosivity (R), soil erodibility (K), slope‐length (L), slope‐steepness (S), cover management (C), and conservation practice (P). The well‐accepted revised universal soil loss equation (RUSLE) was implemented to estimate soil erosion. The soil erosion maps were categorized into four classes: low (<1), medium (1–5), high (5–20), and very high (>20) — and transitions among these classes were determined by applying the change matrix method to assess soil erosion (ton ha‐1 yr‐1) changes from 2005 to 2015. Furthermore, spatial patterns and soil erosion dynamics were evaluated for seven administrative units of Pakistan to examine conservation efforts and ecosystem services. Major findings of this study indicate, that at the national scale, an estimated soil erosion of 1.79 ± 11.52 ton ha‐1 yr‐1 in 2005, which increased to 2.47 ± 18.14 ton ha‐1 yr‐1 in 2015. This intensification of soil erosion is coupled with land cover and land use changes (LCLUC) due to population expansion, infrastructural development, and exploitation of natural resources. This study's analytical framework and outcomes could be used for developing effective conservation policies to control soil erosion at various spatial scales in Pakistan.
Bidirectional coupling between land‐use change and desertification in arid areas: A study contrasting intracoupling and telecoupling
Authors: Li Dajing , Xu Erqi , Zhang Hongqi
Published: October 2021

In arid areas, land‐use change interacts with desertification through water resources. Since water is flowing, the interaction between land‐use change and desertification is not only local, but also regional. Previous studies have focused on the unidirectional influence of land‐use change on desertification, but little research has quantitatively examined the bidirectional coupling, especially contrasting the difference between intracoupling (interactions within a sub‐catchment) and telecoupling (interactions across different sub‐catchments) within a hydraulically linked watershed. To solve this issue, we introduced a vector autoregressive model and designed a strategy from intracoupling to telecoupling to examine the interactions between them in the Tarim River. In intracoupling, a negative relationship was found in most areas. The increase of the land‐use degree inhibits the desertification expansion, and this inhibition degree in the short term increases with the desertification degree. Conversely, the effect of desertification on land use is relatively smaller, and the feedback direction is related to land‐use degree. The region with a relatively low farmland exploitation intensity shows negative feedback and vice versa. In telecoupling, a positive relationship was found: Increasing land‐use degree in upstream sub‐catchment aggravates the desertification expansion in midstream and downstream sub‐catchments. Regarding the opposing unidirectional effect, after desertification expansion in midstream and downstream sub‐catchments, humans will slow down land exploitation in the upstream sub‐catchment, but this behaviour has a certain time lag. This study demonstrates that the special relationship found in telecoupling should be considered in the model development of desertification and land‐use simulation.
Assimilation and oxidation of urea‐derived nitrogen in the summer Arctic Ocean
Authors: Shiozaki Takuhei , Hashihama Fuminori , Endo Hisashi , Ijichi Minoru , Takeda Noriko , Makabe Akiko , Fujiwara Amane , Nishino Shigeto , Harada Naomi
Published: October 2021

Urea sinks are mainly associated with assimilation by phytoplankton. However, recent studies have shown that there is a process by which nitrifiers convert urea‐derived nitrogen (urea‐N) into nitrate. We examined these two processes in the shelf and off‐shelf regions of the Arctic Ocean. Urea concentration was high near the bottom in the shelf region, while it was depleted throughout the water column in the off‐shelf region. Urea‐N assimilation was generally higher in the upper euphotic zone than the lower euphotic zone. By contrast, urea‐N oxidation was low in the upper euphotic zone and increased with depth. These results indicate that urea sinks consist of a two‐layer system. We further examined the organisms involved in urea‐N oxidation and found a dominance of shallow clade ammonia‐oxidizing archaea, whose abundance was low in the upper euphotic zone and increased with depth. The abundances of archaeal ureC and amoA genes of shallow clade ammonia‐oxidizing archaea were well correlated (ρ = 0.96, Spearman's correlation), suggesting that most of shallow clade ammonia‐oxidizing archaea could use urea as a source of ammonia oxidation. However, we found that the urea‐N oxidation rate often exceeded the ammonia oxidation rate while kinetics experiments suggested that ammonia oxidizers use urea less actively than ammonia. Network analyses indicated that ammonia oxidizers were closely related to other prokaryotes with the ability to decompose urea. These results suggested that ammonia‐oxidizing archaea may not necessarily use urea‐N directly.
Full Complex‐Amplitude Modulation of Second Harmonic Generation with Nonlinear Metasurfaces
Authors: Hao Zelin , Liu Wenwei , Li Zhancheng , Li Zhi , Geng Guangzhou , Wang Yanchun , Cheng Hua , Ahmed Hammad , Chen Xianzhong , Li Junjie , Tian Jianguo , Chen Shuqi
Published: October 2021

Metasurfaces have shown unprecedented capabilities and flexibilities for optical wave manipulation, which provide a powerful platform for the integration and minimization of multifunctional optical devices. However, the realization of the multidimensional manipulation of harmonic waves generated by nonlinear metasurfaces is still a challenge due to the lack of a theoretical guidance. Here, an efficient design strategy of nonlinear metasurfaces based on the hydrodynamic model of the free electron dynamics is demonstrated to realize the full complex‐amplitude modulation of the second harmonic generation (SHG). As a proof concept, three multifunctional nonlinear metasurfaces are designed, in which both the amplitude and the phase of the SHG waves are efficiently and independently manipulated. With numerical and experimental validations, the proposed nonlinear metasurfaces can realize the spin‐selective SHG optical vortices with independent topological charges. The design strategy of nonlinear metasurfaces shall boost the applications of nonlinear metasurfaces in optical information, optical multifunctional integration, and so on.
The Regenerative Role of Gelatin in PLLA Electrospun Membranes for the Treatment of Chronic Massive Rotator Cuff Injuries
Authors: Liu Chang , Jiang Shihai , Wu Yu , Liu Libiao , Su Shouwen , Liang Tangzhao , He Ronghan , Guo Zeyue , Zhang Yuanyuan , Lin Zhidong , Niu Wei , Zhu Lei , Xu Tao , Wang Kun
Published: October 2021

Failing to regenerate native tendon tissue in chronic massive rotator cuff tears (CMRCTs) results in high retear rates after surgery. Gelatin is a hydrolyzed form of collagen which is bioactive and biocompatible. This study intends to investigate the suitability of integrating gelatin to poly (l‐lactic acid) (PLLA) fibrous membranes for promoting the healing of CMRCTs. PLLA/Gelatin electrospun membranes (PGEM) are fabricated using electrospinning technology. The fourier transform infrared, static contact angles are tested sequentially. Cytocompatibility is evaluated with rat tendon fibroblasts and human umbilical endothelial cells (HUEVCs) lines. CMRCTs rat models are established and assigned into three groups (the sham group, the repaired group, and the augmentation group) to perform histomorphological and biomechanical evaluations. Gelatin is successfully integrated into PLLA fibrous membranes by the electrospinning technique. In vitro studies indicate that PGEM shows a great cytocompatibility for rat tendon fibroblasts and HUEVCs. In vivo studies find that applications of PGEM significantly promote well‐aligned collagen I fibers formation and enhance biomechanical properties of the repaired tendon in CMRCTs rat models. In summary, gelatin promotes tendon fibroblasts and HUEVCs adhesion, migration, and proliferation on the PLLA fibrous membranes, and PGEM may provide a great prospect for clinical application.
Polymer‐Induced Inversion of the Li+ Drift Direction in Ionic Liquid‐Based Ternary Polymer Electrolytes
Authors: Rosenwinkel Mark P. , Schönhoff Monika
Published: October 2021

While salt‐in‐ionic liquid (IL) electrolytes provide a promising alternative to organic electrolytes, they suffer from large ionic clusters impeding lithium ion transport. Here, a lithium‐coordinating polymer is added and the transition from salt‐in‐IL to IL‐based ternary polymer gel electrolytes is followed, investigating the influence of the composition on Li transport mechanisms. The electrolyte is composed of the salt lithium bis(trifluoromethanesulfonyl)amide (LiTFSA), the IL 1‐butyl‐1‐methylpyrrolidinium (Pyr14) TFSA, and a variable amount of poly(ethylene oxide) (PEO). Impedance spectroscopy, multinuclear (1H, 7Li, and 19F) diffusion NMR and electrophoretic NMR (eNMR) yield electrophoretic mobilities, transference numbers, partial conductivities, and effective charges of all ionic species. As the polymer fraction increases, the lithium ion drift direction is inverted. The sign reversal of Li+ mobility and transference number occurs at the optimum coordination of 5–6 ethylene oxide units per Li+ ion. The dominant Li+ transport mechanism shifts from a vehicular transport via anionic clusters to chain‐dominated transport mechanisms. It is concluded that the lithium transport properties of IL‐based electrolytes can be vastly improved by the addition of PEO. Tuning the composition of the ternary electrolyte reveals optimal Li+ transport properties at moderately high polymer contents as well as high salt concentrations.
Characterization of Lifestyle in Spinocerebellar Ataxia Type 3 and Association with Disease Severity
Authors: Hengel Holger , Martus Peter , Faber Jennifer , Garcia‐Moreno Hector , Solanky Nita , Giunti Paola , Klockgether Thomas , Reetz Kathrin , van de Warrenburg Bart P. , Pereira de Almeida Luís , Santana Magda M. , Januário Cristina , Silva Patrick , Thieme Andreas , Infante Jon , de Vries Jeroen , Lima Manuela , Ferreira Ana F. , Bushara Khalaf , Jacobi Heike , Onyike Chiadi , Schmahmann Jeremy D. , Hübener‐Schmid Jeannette , Synofzik Matthis , Schöls Ludger
Published: October 2021

Background

Lifestyle could influence the course of hereditary ataxias, but representative data are missing.

Objective

The objective of this study was to characterize lifestyle in spinocerebellar ataxia type 3 (SCA3) and investigate possible associations with disease parameters.

Methods

In a prospective cohort study, data on smoking, alcohol consumption, physical activity, physiotherapy, and body mass index (BMI) were collected from 243 patients with SCA3 and 119 controls and tested for associations with age of onset, disease severity, and progression.

Results

Compared with controls, patients with SCA3 were less active and consumed less alcohol. Less physical activity and alcohol abstinence were associated with more severe disease, but not with progression rates or age of onset. Smoking, BMI, or physiotherapy did not correlate with disease parameters.

Conclusion

Differences in lifestyle factors of patients with SCA3 and controls as well as associations of lifestyle factors with disease severity are likely driven by the influence of symptoms on behavior. No association between lifestyle and disease progression was detected. © 2021 The Authors. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society
A spotter’s guide to SNPtic exons: The common splice variants underlying some SNP–phenotype correlations
Authors: Keegan Niall Patrick , Fletcher Sue
Published: October 2021

Background

Cryptic exons are typically characterised as deleterious splicing aberrations caused by deep intronic mutations. However, low‐level splicing of cryptic exons is sometimes observed in the absence of any pathogenic mutation. Five recent reports have described how low‐level splicing of cryptic exons can be modulated by common single‐nucleotide polymorphisms (SNPs), resulting in phenotypic differences amongst different genotypes.

Methods

We sought to investigate whether additional ‘SNPtic’ exons may exist, and whether these could provide an explanatory mechanism for some of the genotype–phenotype correlations revealed by genome‐wide association studies.

We thoroughly searched the literature for reported cryptic exons, cross‐referenced their genomic coordinates against the dbSNP database of common SNPs, then screened out SNPs with no reported phenotype associations.

Results

This method discovered five probable SNPtic exons in the genes APC, FGB, GHRL, MYPBC3 and OTC. For four of these five exons, we observed that the phenotype associated with the SNP was compatible with the predicted splicing effect of the nucleotide change, whilst the fifth (in GHRL) likely had a more complex splice‐switching effect.

Conclusion

Application of our search methods could augment the knowledge value of future cryptic exon reports and aid in generating better hypotheses for genome‐wide association studies.
Colorado care program meeting client demand via open access
Authors: Canady Valerie A.
Published: October 2021

Responding to growing client needs and a mission to improve clinical outcomes and processes, a Grand Junction, Colorado–based community mental health center (CMHC) has succeeded by reducing wait‐times to fully engage clients in treatment from six weeks to one week or less, while creating an open access for all clients via weekly walk‐ins and delivering a multidisciplinary approach — without additional resources.
Global stability of nonhomogeneous coexisting equilibrium state for the multispecies Lotka–Volterra mutualism models with diffusion
Authors: Vargas‐De‐León Cruz
Published: October 2021

A diffusive multispecies Lotka–Volterra mutualism model is studied in this paper, where the mutualistic interaction coefficients and the diffusion coefficient are spatially heterogeneous. The architecture of these models is one of a hyper‐connected central species that interacts with n − 1 peripheral species, but the peripheral species do not interact with each other. By using Lyapunov functional method, the global asymptotic stability of the nonhomogeneous coexisting equilibrium state is established. We extend our results to the multispecies mutualism model in which interaction and diffusion coefficients are spatially homogeneous.
Experimental comparison of photon versus particle computed tomography to predict tissue relative stopping powers
Authors: Bär Esther , Volz Lennart , Collins‐Fekete Charles‐Antoine , Brons Stephan , Runz Armin , Schulte Reinhard Wilhelm , Seco Joao
Published: October 2021

Purpose: Measurements comparing relative stopping power (RSP) accuracy of state‐of‐the‐art systems representing single‐energy and dual‐energy computed tomography (SECT/DECT) with proton CT (pCT) and helium CT (HeCT) in biological tissue samples.

Methods: We used 16 porcine and bovine samples of various tissue types and water, covering an RSP range from 0.900.06 to 1.78 0.05. Samples were packed and sealed into 3D‐printed cylinders ( cm,  cm) and inserted into an in‐house designed cylindrical polymethyl methacrylate (PMMA) phantom ( cm,  cm). We scanned the phantom in a commercial SECT and DECT (120 kV; 100  and 140 kV/Sn (tin‐filtered)); and acquired pCT and HeCT ( MeV/u, 2 steps, (p)/ (He) particles/projection) with a particle imaging prototype. RSP maps were calculated from SECT/DECT using stoichiometric methods and from pCT/HeCT using the DROP‐TVS algorithm. We estimated the average RSP of each tissue per modality in cylindrical volumes of interest and compared it to ground truth RSP taken from peak‐detection measurements.

Results: Throughout all samples, we observe the following root‐mean‐squared RSP prediction errors combined uncertainty from reference measurement and imaging: SECT 3.102.88%, DECT 0.752.80%, pCT 1.19 2.81%, and HeCT 0.782.81%. The largest mean errors combined uncertainty per modality are SECT 8.22 2.79% in cortical bone, DECT 1.742.00% in back fat, pCT 1.80 4.27% in bone marrow, and HeCT 1.374.25% in bone marrow. Ring artifacts were observed in both pCT and HeCT reconstructions, imposing a systematic shift to predicted RSPs.

Conclusion: Comparing state‐of‐the‐art SECT/DECT technology and a pCT/HeCT prototype, DECT provided the most accurate RSP prediction, closely followed by particle imaging. The novel modalities pCT and HeCT have the potential to further improve on RSP accuracies with work focusing on the origin and correction of ring artifacts. Future work will study accuracy of proton treatment plans using RSP maps from investigated imaging modalities.
Extraction of a vascular function for a fully automated dynamic contrast‐enhanced magnetic resonance brain image processing pipeline
Authors: Loos Wallace S. , Souza Roberto , Andersen Linda B. , Lebel R. Marc , Frayne Richard
Published: October 2021

Purpose

To develop a deep‐learning model that leverages the spatial and temporal information from dynamic contrast‐enhanced magnetic resonance (DCE MR) brain imaging in order to automatically estimate a vascular function (VF) for quantitative pharmacokinetic (PK) modeling.

Methods

Patients with glioblastoma multiforme were scanned post‐resection approximately every 2 months using a high spatial and temporal resolution DCE MR imaging sequence ( s and cm3). A region over the transverse sinus was manually drawn in the dynamic T1‐weighted images to provide a ground truth VF. The manual regions and their resulting VF curves were used to train a deep‐learning model based on a 3D U‐net architecture. The model concurrently utilized the spatial and temporal information in DCE MR images to predict the VF. In order to analyze the contribution of the spatial and temporal terms, different weighted combinations were examined. The manual and deep‐learning predicted regions and VF curves were compared.

Results

Forty‐three patients were enrolled in this study and 155 DCE MR scans were processed. The 3D U‐net was trained using a loss function that combined the spatial and temporal information with different weightings. The best VF curves were obtained when both spatial and temporal information were considered. The predicted VF curve was similar to the manual ground truth VF curves.

Conclusion

The use of spatial and temporal information improved VF curve prediction relative to when only the spatial information is used. The method generalized well for unseen data and can be used to automatically estimate a VF curve suitable for quantitative PK modeling. This method allows for a more efficient clinical pipeline and may improve automation of permeability mapping.
Comparison of the sputtered TiO2 anatase and rutile thin films as electron transporting layers in perovskite solar cells
Authors: Shahvaranfard Fahimeh , Li Ning , Hosseinpour Saman , Hejazi Seyedsina , Zhang Kaicheng , Altomare Marco , Schmuki Patrik , Brabec Christoph J.
Published: October 2021

We examine comparatively the performance of sputtered TiO2 rutile and anatase thin films as an electron transport layer (ETL) in MAPbI3‐based perovskite solar cells. Both anatase and rutile TiO2 ETLs are deposited (on fluorine‐doped tin oxide [FTO] substrates) by magnetron sputtering in the form of nanocrystalline thin films. We systematically investigate the role of crystallographic phase composition of TiO2 ETLs on the photovoltaic performance of perovskite solar cells. The champion power conversion efficiencies (PCEs) of 18.4% and 17.7% under reverse scan mode are obtained for perovskite solar cells based on TiO2 anatase and TiO2 rutile ETL, respectively. The results show that the magnetron sputtering deposited ETLs differ from each other only in their phase composition while the overall performance of the devices is not greatly affected by the crystallographic phase of the TiO2 ETLs. Our results point to an important fact that for a proper and reliable comparison between the performance of TiO2 anatase and rutile ETLs, it is crucial to investigate films of similar morphology and structure that are synthesize under similar conditions.
An integrated feasibility study using passive geophysical methods for the investigation of the Gerolekas bauxite deposits site, Greece
Authors: Orfanos C. , Leontarakis K. , Polychronopoulou K. , Apostolopoulos G. , Athanasas K. , Martakis N.
Published: October 2021

The scope of this research is to delineate an optimized strategy for the implementation of cost‐effective and environmentally friendly passive geophysical methods in a challenging environment, in this case the Gerolekas bauxite mines, Greece. In this region, bauxite deposits have been detected and are being exploited at the interfaces between limestone layers in the autochthonous zone of Parnassus–Giona. The area under investigation, Gerolekas, is an allochthonous overthrust zone that overlays a part of the autochthonous geological structure. Currently, there is no information about the possible continuation of the bauxite deposits under Gerolekas below a certain depth. In this study, an integrated multi‐parameter approach using gravity, magnetotelluric and passive seismic methodologies is evaluated through a feasibility study incorporating realistic synthetic data. The specific strategy involves building a lithological model of the area by exploiting more than 4000 boreholes and incorporating data from in situ geological observations and official geological mapping. The 3D lithological model is then converted to equivalent geophysical models, based on in situ measurements, both on the surface and inside the mining galleries, as well as on data from previous studies in the literature, which together serve as the basis for the inversion procedures. The feasibility study is applied, simulating two different extreme realistic scenarios, by adding synthetic boreholes to the real ones, setting the optimum parameterization to control any possible scenario to be resolved, and evaluating the contribution of a priori information, to create starting models. Finally, a multi‐parameter analysis is formulated and applied to all inverted models to create a litho‐constrained unified geophysical model, providing an unbiased, integrated, statistically driven model of the area and generating updated geophysical models that are significantly improved.
Weight loss in primary care: A pooled analysis of two pragmatic cluster‐randomized trials
Authors: Katzmarzyk Peter T. , Apolzan John W. , Gajewski Byron , Johnson William D. , Martin Corby K. , Newton Robert L. , Perri Michael G. , VanWormer Jeffrey J. , Befort Christie A.
Published: October 2021

Objective

The aim of this study was to report the results of five weight‐loss interventions in primary care settings in underserved patients and to compare the level of pragmatism across the interventions using the Pragmatic Explanatory Continuum Indicator Summary (PRECIS‐2) tool.

Methods

Data from 54 primary care clinics (2,210 patients) were pooled from the Promoting Successful Weight Loss in Primary Care in Louisiana (PROPEL) and Rural Engagement in Primary Care for Optimizing Weight Reduction (REPOWER) cluster‐randomized trials. Clinics were randomized to one of five comparators: PROPEL usual care, PROPEL combination of in‐clinic and telephone visits, REPOWER in‐clinic individual visits, REPOWER in‐clinic group visits, or REPOWER telephone group visits.

Results

At 24 months, weight loss (kilograms) was −0.50 (95% CI: −1.77 to 0.76), −3.05 (−4.10 to −2.01), −4.30 (−5.35 to −3.26), −4.79 (−5.83 to −3.75), and −4.80 (−5.96 to −3.64) in the PROPEL usual care, REPOWER in‐clinic individual visits, REPOWER telephone group visits, REPOWER in‐clinic group visits, and PROPEL in‐clinic and telephone visits arms, respectively. At 24 months, percentage of weight loss was −0.360 (−1.60 to 0.88), −3.00 (−4.02 to −1.98), −4.23 (−5.25 to −3.20), −4.67 (−5.69 to −3.65), and −4.69 (−5.82 to −3.56), respectively, in the five arms. The REPOWER in‐clinic individual visits intervention was the most pragmatic and reflects the current Centers for Medicare and Medicaid Services funding model, although this intervention produced the least weight loss.

Conclusions

Clinically significant weight loss over 6 months in primary care settings is achievable using a variety of lifestyle‐based treatment approaches. Longer‐term weight‐loss maintenance is more difficult to achieve.
Impact of Big Five personality traits on tax non‐compliance intentions: Mediation effect of perceived tax‐fairness
Authors: Jassem Suaad , Al‐Rawi Yasser A. , Hussein Ali Adil
Published: October 2021

Established behavioural theories have been used to study the impact of perceptions, attitudes and behaviour on tax compliance however the literature have overlooked the relationship between the personality traits of taxpayers as defined by the five‐factor model (FFM) on tax non‐compliance. This study aims to fill this gap by proposing a model using the FFM personality traits that examines the impact of the Big Five personality on tax non‐compliance intentions, and investigates whether the relationships are mediated by tax‐fairness perception. Survey questionnaire were collected from 503 taxpayers working in various professions in Malaysia. Using structural equation modelling to conduct the multivariate analysis, the results were determined using Smart PLS. The results of the analysis indicate that conscientiousness, agreeableness and extraversion are negatively related to tax non‐compliance intention, while neuroticism positively influences tax non‐compliance intention. Moreover, openness to new experience had no significant effect on tax non‐compliance intention. Finally, tax‐fairness perception partially mediates all the relationships except for openness.
Functionalized PVA film with good adsorption capacity for anionic dye
Authors: Kandil Heba , Abdelhamid Ahmed E. , Moghazy Reda M. , Amin Amal
Published: October 2021

The dye‐water treatment by polyvinyl alcohol (PVA) is still a challenge as PVA is characterized by its strong affinity to water. Therefore, this study aims to fabricate a functional PVA film with good regeneration ability to remove anionic dyes from aqueous solution using polyamidoamine dendrimers (PAMAM) as a modifier and epichlorohydrin as a cross‐linker. Solution casting technique was applied to prepare the functionalized film. The adsorption efficiency of the film was evaluated by studying the effect of various parameters such as PAMAM loading (0, 12.5, 25, 50 wt%), initial dye concentration, film dose, solution pH, and adsorption time. The adsorption studies showed that with increasing PAMAM loading, the maximum adsorption capacity of the resulting film increased till it reached up to 73.8 mg/g by the PVA film with 50 wt% PAMAM. For understanding the nature of the adsorption process of the prepared film, the kinetics and isotherm analysis were studied. It was found that the mechanism of dye removal by the prepared film followed pseudo‐second‐order kinetic and Freundlich isotherm, respectively. The adsorption and regeneration studies indicated that this film has great potential to effectively remove anionic dye from wastewater.
Pseudokinases repurpose flexibility signatures associated with the protein kinase fold for noncatalytic roles
Authors: Paul Anindita , Subhadarshini Seemadri , Srinivasan Narayanaswamy
Published: October 2021

The bilobal protein kinase‐like fold in pseudokinases lack one or more catalytic residues, conserved in canonical protein kinases, and are considered enzymatically deficient. Tertiary structures of pseudokinases reveal that their loops topologically equivalent to activation segments of kinases adopt contracted configurations, which is typically extended in active conformation of kinases. Herein, anisotropic network model based normal mode analysis (NMA) was conducted on 51 active conformation structures of protein kinases and 26 crystal structures of pseudokinases. Our observations indicate that although backbone fluctuation profiles are similar for individual kinase‐pseudokinase families, low intensity mean square fluctuations in pseudo‐activation segment and other sub‐structures impart rigidity to pseudokinases. Analyses of collective motions from functional modes reveal that pseudokinases, compared to active kinases, undergo distinct conformational transitions using the same structural fold. All‐atom NMA of protein kinase‐pseudokinase pairs from each family, sharing high amino acid sequence identities, yielded distinct community clusters, partitioned by residues exhibiting highly correlated fluctuations. It appears that atomic fluctuations from equivalent activation segments guide community membership and network topologies for respective kinase and pseudokinase. Our findings indicate that such adaptations in backbone and side‐chain fluctuations render pseudokinases competent for catalysis‐independent roles.
Chemical reactivity and binding interactions in ribonucleic acid‐peptide complexes
Authors: Srivastava Ruby
Published: October 2021

The covalent and noncovalent backbone binding interactions in RNA‐peptide complexes were studied by DFT methods. Four RNA structures R1(GGCUAGCC), R2(AAUCGAUU), R3(GGGAUCCC), and R4(AAAGCUUU) has been selected for eight protonated peptides (DR, ER, GR, KR, NGR, RR, tmeGnd (tme), and VR) interactions based on an experimental study (Anal Chem. 2019; 91:1659‐1664). Chemical reactivity theory is used to study the reactivity of eight peptides with global descriptors. Lower hardness values reflected low stability and high reactivity for the protonated peptides. DR, ER, GR, KR, NGR, RR, and VR show lower value of ω, μ while tme has high value of ω, μ. Larger highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) gap for ER, GR, and KR showed greater structural stability for peptides. AutoDock and PatchDock results indicated that R1, R2, and R4 retain hairpin structures while interacting with peptide complexes. The calculated binding energies of (R1–R4)‐peptide complexes from AutoDock tools are (1.49–11.12) kcal/mol. Results showed that the noncovalent interactions are stronger than the covalent interactions for R1‐peptide complexes. The reason might be the transfer of proton from protonated ligand to deprotonated RNA, which has initiated the loss of the ligand. Also it has been observed that proton transfer has become energetically unfavorable in presence of additional hydrogen bonds which is predicted in the experimental results.
Donepezil improves vascular function in a mouse model of Alzheimer’s disease
Authors: Pellegrini Carolina , D’Antongiovanni Vanessa , Fornai Matteo , Duranti Emiliano , Baldacci Filippo , Bernardini Nunzia , Taddei Stefano , Virdis Agostino , Blandizzi Corrado , Masi Stefano , Antonioli Luca
Published: October 2021

Cardiovascular complications in Alzheimer's disease (AD) patients can occur years to decades prior to the onset of clinical symptoms of the disease. Donepezil represents the most effective drug in the treatment of AD. However, the potential effect of donepezil on vascular function and structure remains largely unexplored. Here, we assessed the impact of donepezil on the vascular phenotype of an established model of accelerated senescence that develops spontaneously AD, the SAMP8 mouse. Three groups of animals were included: SAMR1 (control strain), SAMP8, and SAMP8 treated with donepezil. Treatment with donepezil was administered from the 4th to the 6th month of life. At 6 months, after cognitive tests by Morris Water Maze, animals were euthanized, and their mesenteric arteries were processed for functional experiments. Untreated SAMP8 developed cognitive impairment compared to SAMR1, while donepezil treatment significantly attenuated cognitive dysfunction. SAMP8 exhibited a higher media‐to‐lumen ratio than SAMR1 and donepezil‐treated animals. Endothelial function was impaired in SAMP8 animals compared to SAMR1. The addition of vitamin C improved the vasodilatory response to acetylcholine in SAMP8. Treatment with donepezil improved endothelial function in SAMP8 animals and reduced the additional vasodilation induced by vitamin C. In conclusion, in the SAMP8 AD model, cognitive impairment is associated with endothelial dysfunction and vascular remodeling which could contribute to cardiovascular events in AD since the prodromal phases of the disease. Treatment with donepezil alleviates vascular dysfunction associated with AD through an increase in NO availability likely by counteracting inflammation and oxidative stress.
Beneficial rhizobacteria inoculation on Ocimum basilicum reduces the growth performance and nutritional value of Spodoptera frugiperda
Authors: Palermo Tamara Belén , Cappellari Lorena del Rosario , Chiappero Julieta , Giordano Walter , Banchio Erika
Published: October 2021

BACKGROUND

Plant growth‐promoting rhizobacteria (PGPR) has a significant role in plant–insect interaction. However, the extent of their impact on insects is still not well understood. This investigation was designed to evaluate the role of inoculation with Bacillus amyloliquefaciens GB03 on sweet basil (Ocimum basilucum L.) in the development and nutritional parameters of Spodoptera frugiperda. In addition, the feeding preferences on inoculated and non‐inoculated plants were assessed.

RESULTS

Spodoptera frugiperda larvae reared with inoculated sweet basil leaves had a strong negative effect on the development of the insect, resulting in lower larval and pupal weights, and a longer period for larval–adult development. Moreover, adult emergence was reduced, but the relative consumption rate (RCR) value was unaffected, thereby revealing no alteration of the palatability. Growth rate and nutritional indicators, such as the efficiency of conversion of ingested food (ECI) and the efficiency of conversion of digested food (ECD), were reduced in larvae reared from treated plants. In the choice test, larvae avoided feeding on inoculated leaves.

CONCLUSION

The higher occurrence of secondary metabolites in inoculated plants could have been the reason for the reduction of the plant nutritional rate and also for the food selection, since it has been previously reported that GB03 inoculated sweet basil increased the essential oil yield. Therefore, PGPR inoculation could be used as a growth promoter, making it a promising candidate for plant protection programs against insects in aromatic plant production. © 2021 Society of Chemical Industry.