bluuebunny/crossref_metadata_2025 huggingface dataset:
Ketogenic diet in a patient with refractory status epilepticus due to POLG mutation
Authors: Koessler Miriam , Haberlandt Edda , Karall Daniela , Baumann Matthias , Höller Alexander , Scholl‐Bürgi Sabine
Published: October 2020

We present a 16‐year‐old female patient with POLG syndrome, treated with ketogenic diet after she presented with refractory status epilepticus. Initially, benefit of the ketogenic diet could be seen, but the outcome was fatal, with death 3 months after presenting symptoms. Additionally, we give a literature review of the utility of ketogenic diet in patients with POLG disease.
The use of virtual reality computed tomography simulation within a medical imaging and a radiation therapy undergraduate programme
Authors: Gunn Therese , Rowntree Pamela , Starkey Deborah , Nissen Lisa
Published: October 2020

Introduction

The use of virtual reality (VR) simulation in the education of healthcare professionals has expanded into the field of medical radiation sciences. The purpose of this research was to report on the student experience of the integration of VR education for both medical imaging (MI) and radiation therapy (RT) students in learning computed tomography (CT) scanning.

Methods

A survey was performed to evaluate students’ perceived confidence in performing diagnostic and planning CT scans in the clinical environment following VR CT simulation tutorials. Students from both MI and RT participated in providing quantitative and qualitative data.

Results

The MI students (n = 28) and RT students (n = 38) provided quantitative results linking their engagement (perceived usefulness, ease of use, enjoyment) with their perceived confidence. The 15 (54%) MI students who recorded a maximum engagement score had a mean confidence score 1.02 higher than the students not fully engaged (Fisher’s exact test 14.549, P = 0.00). The results from the RT cohort revealed 68% of students agreed or strongly agreed to the addition of VR CT simulation helping in the learning of CT.

Conclusion

It can be concluded that the integration of innovative learning opportunities such as VR CT simulation has the potential to increase student confidence and improve student preparation for the clinical environment.
Performance analysis of functionalized silicene nanoribbon‐based photodetector
Authors: Kharadi Mubashir A. , Malik Gul‐Faroz A. , Shah Khurshed A. , Khanday Farooq A.
Published: October 2020

In this work, performance analysis of functionalized silicene nanoribbons‐ (SiNRs) based photodetector is evaluated using Atomistix Tool kit software. The functionalized SiNRs were obtained by co‐decorating them with lithium atoms on one side and chlorine atoms on the other side. The performance of photodetector is analyzed in terms of spectral response, responsivity and detectivity, which are found to be <450 nm, 8.33 × 103 AW−1, and 4.94 × 1012 Jones, respectively. In addition, the calculated results were compared with modern photodetectors based on other materials. The comparative study reveals that the proposed device offers better performance than these photodetectors. Therefore, the modeled device will find a number of potential applications in optoelectronics.
Assessment of MME methods for seasonal prediction using WMO LC‐LRFMME hindcast dataset
Authors: Kim Gayoung , Ahn Joong‐Bae , Kryjov Vladimir N. , Lee Woo‐Seop , Kim Dong‐Joon , Kumar Arun
Published: October 2020

Different multi‐model ensemble (MME) methods were investigated for their potential to improve the skill of 1‐month lead seasonal forecast products, based on six models from Global Producing Centers (GPCs) for long‐range forecasts (LRFs) designated by the World Meteorological Organization (WMO). We first compared the hindcast performance of seven MME methods (simple composite method, SCM; simple linear regression, SLR; multiple linear regression, MLR; best selection anomaly, BSA; multilayer perceptron, MLP; radial basis function, RBF; genetic algorithm, GA) for the global 2‐m temperature and precipitation for 1983–2009. The reference datasets for 2‐m temperature and precipitation are the ERA‐Interim from European Centre for Medium‐Range Weather Forecasts (ECMWF) and Global Precipitation Climatology Project (GPCP) for hindcast verification. For real‐time verification, the data from the National Centers for Environmental Prediction/National Center for Atmospheric Research (NCEP/NCAR) reanalysis 1 for 2‐m temperature and climate anomaly monitoring system and outgoing longwave radiation precipitation index (CAMS OPI) for precipitation are used. According to our analysis, GA was the most successful MME method in predicting both the global 2‐m temperature and precipitation for all four seasons. GA also showed good performance in predicting the 2‐m temperature and precipitation over the 13 regional climate outlook forum (RCOF) regions in all four seasons, but the range in performance among the RCOF regions varied significantly. In a real‐time forecast period (MAM 2012‐DJF 2015/16), GA outperformed in terms of time‐averaged anomaly pattern correlation coefficient (ACC) and root‐mean‐square error (RMSE) of the 2‐m temperature, although the forecast skill difference (0.02) between GA and SCM was not statistically significant. For the precipitation, both SCM and GA also reveal better performance than other MME methods. During the very strong El Niño event in 2015, individual models show better performance than other years. Nonetheless, these two MME methods outperform all the individual models.
Assessment of distal radioulnar joint stability in healthy subjects: Changes with dominant hand, sex, and age
Authors: Yuine Hiroshi , Yoshii Yuichi , Iwai Koichi , Ishii Tomoo , Shiraishi Hideki
Published: October 2020

This study aimed to elucidate the differences in distal radioulnar stability in dominant/nondominant hand, sex, and age. Bilateral wrists of 60 healthy subjects were evaluated using force‐monitoring ultrasonography. This apparatus was developed to apply cyclic compression and measure applied force to displacement during an ultrasound exam. The transducer was placed on the dorsal side of the distal radioulnar joint, and the center of the ulnar head was displayed on the monitor. The distance between the dorsal surface of the distal radius and the ulnar head was measured at an initial and at a pressed‐down position. The radioulnar displacement, applied force to displacement, and displacement‐to‐force ratio were evaluated. The results were compared between the dominant and nondominant hands, and between males and females, and among different age groups. There were no significant differences in the parameters between the dominant and nondominant hands. The applied force to displacement was significantly greater in the male group compared with the female group. There were significant effects for the different age groups in all parameters (displacement: F = 3.67, p = .008; applied‐force: F = 3.08, p = .019; displacement‐to‐force ratio: F = 4.66, p = .002). Our results indicated that the stability of distal radioulnar joint differed depending on age and sex. Age and sex should be considered when assessing distal radioulnar joint stability.
Validation of the laser‐induced fluorescence effect of aromatic amino acids, protoporphyrin IX, and tetracycline hydrochloride on hydroxyapatite
Authors: Zhang Kainan , Cai Xinjie , Guo Yaru , Liu Chuanzi , Jiang Tao , Wang Yining
Published: October 2020

Changes in mineral content (mainly phosphate) are important for detecting primary dental caries. However, so far, there has not been a device that can provide detailed information on the changes in organic and inorganic content of dental caries during the caries development and sensitively found early dental caries. DIAGNOdent has been widely used as a laser device for detecting dental caries, but it does not provide information about dental inorganics. Our experiment synthesised hydroxyapatite‐aromatic amino acids (HA‐AAAs), protoporphyrin IX (HA‐PPIX), and tetracycline hydrochloride (HA‐TCN) complexes as a simple biological mineralization model related to teeth in vitro and achieved single‐factor control to avoid impurity interference so that the test results are accurate. For the first time, Raman and DIAGNOdent were used to detect HA‐AAAs, HA‐PPIX, and HA‐TCN and determine the fluorescence characteristics of each organic substance. Our results show that Raman results are consistent with DIAGNOdent readings when detecting complexes and that Raman relative intensity (RRI) calculated by Raman spectroscopy can directly reflect the phosphate content in the sample. This implies that Raman is possible to replace DIAGNOdent as a novel and more accurate caries detector after conversion of the spectrum results.
Neoadjuvant immunotherapy for melanoma
Authors: Lee Ann Y. , Brady Mary S.
Published: October 2020

Clinical trials have demonstrated the efficacy of immunotherapy, especially checkpoint blockade inhibitors, in the treatment of patients with metastatic melanoma. More recently, improvements in survival have been reported in patients with high‐risk resectable melanoma when these agents are used in the adjuvant setting. Increasing interest in neoadjuvant immunotherapy for high‐risk resectable melanoma has been fueled by early reports of significant efficacy. We review the rationale and data behind utilizing neoadjuvant immunotherapy.
Accuracy of Ultrasound to Predict Neonatal Birth Weight Among Fetuses With Gastroschisis
Authors: Fisher James E. , Tolcher Mary C. , Shamshirsaz Alireza A. , Espinoza Jimmy , Sanz Cortes Magdalena , Donepudi Roopali , Belfort Michael A. , Nassr Ahmed A.
Published: October 2020

Objectives

To determine the accuracy of ultrasound estimation of fetal weight among fetuses with gastroschisis and how the diagnosis of fetal growth restriction (FGR) affects the timing of delivery.

Methods

This was a retrospective cohort study including all fetuses with a diagnosis of gastroschisis at our institution from November 2012 through October 2017. We excluded multiple gestations, pregnancies with major structural or chromosomal abnormalities, and those for which prenatal and postnatal follow‐up were unavailable. Performance characteristics of ultrasound to predict being small for gestational age (SGA) were calculated for the first and last ultrasound estimations of fetal weight.

Results

Our cohort included 75 cases of gastroschisis. At the initial ultrasound estimation, 15 of 58 (25.9%) fetuses met criteria for FGR; 48 of 70 (68.6%) met criteria at the time of the last ultrasound estimation (median, 34.7 weeks). Cesarean delivery was performed for 37 of 75 (49.3%), with FGR and concern for fetal distress as the indication for delivery in 17 of 37 (45.9%). Only 6 of 17 (35.3%) of the neonates born by cesarean delivery for an indication of FGR and fetal distress were SGA. The initial ultrasound designation of FGR corresponded to SGA at birth in 8 of 15 (53.3%), whereas the last ultrasound estimation corresponded to SGA in 17 of 48 (35.4%). The initial ultrasound estimation agreed with the last ultrasound estimation before delivery with the diagnosis of FGR in 13 of 15 (86.7%).

Conclusions

Ultrasound in the third trimester was sensitive but had a low positive predictive value and low accuracy for the diagnosis of SGA at birth for fetuses with gastroschisis. A large proportion of fetuses were born by cesarean delivery with indications related to FGR or fetal concerns.
Mechanical Recycling of Packaging Plastics: A Review
Authors: Schyns Zoé O. G. , Shaver Michael P.
Published: October 2020

The current global plastics economy is highly linear, with the exceptional performance and low carbon footprint of polymeric materials at odds with dramatic increases in plastic waste. Transitioning to a circular economy that retains plastic in its highest value condition is essential to reduce environmental impacts, promoting reduction, reuse, and recycling. Mechanical recycling is an essential tool in an environmentally and economically sustainable economy of plastics, but current mechanical recycling processes are limited by cost, degradation of mechanical properties, and inconsistent quality products. This review covers the current methods and challenges for the mechanical recycling of the five main packaging plastics: poly(ethylene terephthalate), polyethylene, polypropylene, polystyrene, and poly(vinyl chloride) through the lens of a circular economy. Their reprocessing induced degradation mechanisms are introduced and strategies to improve their recycling are discussed. Additionally, this review briefly examines approaches to improve polymer blending in mixed plastic waste streams and applications of lower quality recyclate.
Biocompatible Polymer Nanocomposites Integrating Magnetic Polyoxomolybdates for Enhanced MRI and On‐Site Activated Photothermal Properties
Authors: Zhou Tingting , Wan Guofeng , Kong Xueping , Li Bao , Wu Lixin
Published: October 2020

This work reports the ionic composition of a PEGylated and chemically crosslinked polyethyleneimine with a gadolinium‐coordinated polyoxomolybdate cluster, K17[Gd(P2Mo17O61)2], via electrostatic interaction. The prepared composites form nanoobjects with an average size of ≈27 nm at dried state and maintain structural stability in aqueous solution. While the biocompatibility on HeLa cells is demonstrated, the polymer‐shielded multifunctional nanoplatform shows both the combined magnetic resonance imaging and redox‐triggered photothermal conversion effect. As a contrast agent, the T1‐weighed relaxivity reaches up to 22.77 mm−1 s−1. The photothermal conversion of the prepared composites can be aroused by yielding a broad near infrared (NIR) adsorption through on‐site reduction of the glutathione that is enriched in the tumor environment. The high efficiency ≈61.0% under the irradiation of 808 nm NIR laser illustrates a distinct treatment capability according to cell counting Kit‐8 assay while the obvious inhibition for the growth of tumor cells is observed.
Pallidal Connectivity Profiling of Stimulation‐Induced Dyskinesia in Parkinson's Disease
Authors: Tsuboi Takashi , Charbel Marc , Peterside David T. , Rana Mohit , Elkouzi Ahmad , Deeb Wissam , Ramirez‐Zamora Adolfo , Lemos Melo Lobo Jofili Lopes Janine , Almeida Leonardo , Zeilman Pamela R. , Eisinger Robert S. , Foote Kelly D. , Okromelidze Lela , Grewal Sanjeet S. , Okun Michael S. , Middlebrooks Erik H.
Published: October 2020

Objectives

The aim of this study is to identify anatomical regions related to stimulation‐induced dyskinesia (SID) after pallidal deep brain stimulation (DBS) in Parkinson's disease (PD) patients and to analyze connectivity associated with SID.

Methods

This retrospective study analyzed the clinical and imaging data of PD patients who experienced SID during the monopolar review after pallidal DBS. We analyzed structural and functional connectivity using normative connectivity data with the volume of tissue activated (VTA) modeling. Each contact was assigned to either that producing SID (SID VTA) or that without SID (non‐SID VTA). Structural and functional connectivity was compared between SID and non‐SID VTAs. “Optimized VTAs” were also estimated using the DBS settings at 6 months after implantation.

Results

Of the 68 consecutive PD patients who underwent pallidal implantation, 20 patients (29%) experienced SID. SID VTAs were located more dorsally and anteriorly compared with non‐SID and optimized VTAs and were primarily in the dorsal globus pallidus internus (GPi) and dorsal globus pallidus externus (GPe). SID VTAs showed significantly higher structural connectivity than non‐SID VTAs to the associative cortex and supplementary motor area/premotor cortex (P < 0.0001). Simultaneously, non‐SID VTAs showed greater connectivity to the primary sensory cortex, cerebellum, subthalamic nucleus, and motor thalamus (all P < 0.0004). Functional connectivity analysis showed significant differences between SID and non‐SID VTAs in multiple regions, including the primary motor, premotor, and prefrontal cortices and cerebellum.

Conclusion

SID VTAs were primarily in the dorsal GPi/GPe. The connectivity difference between the motor‐related cortices and subcortical regions may explain the presence and absence of SID. © 2020 International Parkinson and Movement Disorder Society
Screening lncRNAs with diagnostic and prognostic value for human stomach adenocarcinoma based on machine learning and mRNA‐lncRNA co‐expression network analysis
Authors: Li Qun , Liu Xiaofeng , Gu Jia , Zhu Jinming , Wei Zhi , Huang Hua
Published: October 2020

Background

Stomach adenocarcinoma (STAD), is one of the most lethal malignancies around the world. The aim of this study was to find the long noncoding RNAs (lncRNAs) acting as diagnostic and prognostic biomarker of STAD.

Methods

Base on TCGA dataset, the differentially expressed mRNAs (DEmRNAs) and lncRNAs (DElncRNAs) were identified between STAD and normal tissue. The machine learning and survival analysis were performed to evaluate the potential diagnostic and prognostic value of lncRNAs for STAD. We also build the co‐expression network and functional annotation. The expression of selected candidate mRNAs and lncRNAs were validated by Quantitative real‐time polymerase chain reaction (qRT‐PCR) and GSE27342 dataset. GSE27342 dataset were also to perform gene set enrichment analysis.

Results

A total of 814 DEmRNAs and 106 DElncRNAs between STAD and normal tissue were obtained. FOXD2‐AS1, LINC01235, and RP11‐598F7.5 were defined as optimal diagnostic lncRNA biomarkers for STAD. The area under curve (AUC) of the decision tree model, random forests model, and support vector machine (SVM) model were 0.797, 0.981, and 0.983, and the specificity and sensitivity of the three model were 75.0% and 97.1%, 96.9% and 96%, and 96.9% and 97.1%, respectively. Among them, LINC01235 was not only an optimal diagnostic lncRNA biomarkers, but also related to survival time. The expression of three DEmRNAs (ESM1, WNT2, and COL10A1) and three optimal diagnostic lncRNAs biomarkers (FOXD2‐AS1, RP11‐598F7.5, and LINC01235) in qRT‐PCR validation was were consistent with our integrated analysis. Except for FOXD2‐AS1, ESM1, WNT2, COL10A1, and LINC01235 were upregulated in STAD, which was consistent with our integration results. Gene set enrichment analysis results indicated that DNA replication, Cell cycle, ECM‐receptor interaction, and P53 signaling pathway were four significantly enriched pathways in STAD.

Conclusion

Our study identified three DElncRNAs as potential diagnostic biomarkers of STAD. Among them, LINC01235 also was a prognostic lncRNA biomarkers.
Digitalisierung ‐‐ Perspektiven für den Chemieunterricht
Authors: Huwer Johannes , Banerji Amitabh , Thyssen Christoph
Published: October 2020

Sensoren im Smartphone, Erklärvideos, Formel‐Apps oder virtuelle Labore reichern Lernen und Experimentieren in den Naturwissenschaften an. Digitale Medien dienen als Lernwerkzeuge oder werden selbst zum Lerngegenstand. Allerdings erfordert die Digitalisierung des Chemieunterrichts nicht nur Geräte und Software an den Schulen, sondern auch didaktische Konzepte für die Aus‐ und Fortbildung der Lehrkräfte.
Wege zu weniger CO2
Authors: Haider Markus , Gigler Peter , Auer Dominik , Zallinger Sabine
Published: October 2020

Der Anteil strombasierter Prozesse muss in der chemischen Industrie steigen, und der Strom dafür sollte auf Sonne oder Wind basieren. Wie das Chemieunternehmen Wacker mit seinen Produkten, Kunden und Lieferanten Kohlendioxidemissionen verringert.
Trendbericht Lebensmittelchemie
Authors: Hellwig Michael
Published: October 2020

Bei der Proteinoxidation sind nicht nur Mechanismen und Reaktionsprodukte interessant, sondern auch, wie sie sich auf funktionelle und sensorische Eigenschaften von Lebensmitteln auswirken. Massenspektrometrie ersetzt zunehmend die unspezifische UV‐ und Fluoreszenzspektroskopie. Und mit Targeted‐proteomics‐Ansätzen lassen sich nicht nur einzelne oxidierte Aminosäuren bestimmen, sondern auch selektiv oxidierte tryptische Peptide.
„Um die Erstsemester machen wir uns große Sorgen“
Authors: Zbikowski Frauke
Published: October 2020

In diesen Tagen beginnt das Wintersemester. Dabei geht jedes Bundesland und jede Universität mit Covid‐19 und steigenden Infektionszahlen anders um. In einem sind sich die Chemiefachbereiche einig: Chemie studieren im Fernunterricht ohne Laborpraktika ist sinnlos.
Mehr Nachwuchsgruppenleitungen als Habilitierende
Authors: Pereira Jaé Angela
Published: October 2020

Ergebnisse der GDCh‐Umfrage zu wissenschaftlichen Nachwuchskräften und weiblichen Professoren in der Chemie.
Pancreatectomy, Islet Cell Transplantation, and Nutrition Considerations
Authors: Narayanan Siddharth , Bhutiani Neal , Adamson Dylan T. , Jones Christopher M.
Published: October 2020

Pancreatic islet transplantation is a reliable approach for treating insulin‐deficient diabetes. This established β‐cell replacement approach has shown considerable improvements in the last 2 decades. It has helped achieve metabolic homeostasis and safe outcomes for a subset of patients with type 1 diabetes and severe pancreatitis. Nutrition support, until recently, was considered as a secondary factor, merely identified as a means of providing all the necessary nutrients for such patients. However, new literature suggests that several factors, such as the route, timing, quantity, and composition of all the nutrients administered, have key disease‐altering properties and are vital during the perioperative management of such patients. This review will highlight the benefits of performing the clinical islet transplantation on a subgroup of patients with type 1 diabetes and pancreatitis and summarize new data that identify the pivotal role of nutrition support as a critical intervention in their management.
A consistent and versatile computational approach for general fluid‐structure‐contact interaction problems
Authors: Ager Christoph , Seitz Alexander , Wall Wolfgang A.
Published: October 2020

We present a consistent approach that allows to solve challenging general nonlinear fluid‐structure‐contact interaction (FSCI) problems. The underlying formulation includes both “no‐slip” fluid‐structure interaction as well as frictionless contact between multiple elastic bodies. The respective interface conditions in normal and tangential orientation and especially the role of the fluid stress within the region of closed contact are discussed for the general problem of FSCI. A continuous transition of tangential constraints from no‐slip to frictionless contact is enabled by using the general Navier condition with varying slip length. Moreover, the fluid stress in the contact zone is obtained by an extension approach as it plays a crucial role for the lift‐off behavior of contacting bodies. With the given continuity of the formulation, continuity of the discrete system of equations for any variation of the coupled system state (which is essential for the convergence of Newton's method) is reached naturally. As topological changes of the fluid domain are an inherent challenge in FSCI configurations, a noninterface fitted cut finite element method (CutFEM) is applied to discretize the fluid domain. All interface conditions, that is the “no‐slip” FSI, the general Navier condition, and frictionless contact are incorporated using Nitsche based methods, thus retaining the consistency of the model. To account for the strong interaction between the fluid and solid discretization, the overall coupled discrete system is solved monolithically. Numerical examples of varying complexity are presented to corroborate the developments. In a first example, the fundamental properties of the presented formulation such as the contacting and lift‐off behavior, the mass conservation, and the influence of the slip length for the general Navier interface condition are analyzed. Beyond that, two more general examples demonstrate challenging aspects such as topological changes of the fluid domain, large contacting areas, and underline the general applicability of the presented method.
Long time error analysis of the fourth‐order compact finite difference methods for the nonlinear Klein–Gordon equation with weak nonlinearity
Authors: Feng Yue
Published: October 2020

We present the fourth‐order compact finite difference (4cFD) discretizations for the long time dynamics of the nonlinear Klein–Gordon equation (NKGE), while the nonlinearity strength is characterized by ϵp with a constant p ∈ ℕ+ and a dimensionless parameter ϵ ∈ (0, 1]. Based on analytical results of the life‐span of the solution, rigorous error bounds of the 4cFD methods are carried out up to the time at O(ϵ−p). We pay particular attention to how error bounds depend explicitly on the mesh size h and time step τ as well as the small parameter ϵ ∈ (0, 1], which indicate that, in order to obtain ‘correct’ numerical solutions up to the time at O(ϵ−p), the ϵ‐scalability (or meshing strategy requirement) of the 4cFD methods should be taken as: h = O(ϵp/4) and τ = O(ϵp/2). It has better spatial resolution capacity than the classical second order central difference methods. By a rescaling in time, it is equivalent to an oscillatory NKGE whose solution propagates waves with wavelength at O(1) in space and O(ϵp) in time. It is straightforward to get the error bounds of the oscillatory NKGE in the fixed time. Finally, numerical results are provided to confirm our theoretical analysis.
Charitable behavior in China under the Charity Law: Evaluation of charity advertisements involving in‐groups and out‐groups
Authors: Suzuki Satoko , Kohlbacher Florian , Akutsu Satoshi
Published: October 2020

This paper examines Chinese charitable behavior in 2016—the year the Charity Law was enforced—with a focus on the evaluation of charity advertisements. The 2016 Charity Law is the first law in China to regulate charitable organizations and their activities. It also provides various tax incentives for charitable organizations and donors. A study was conducted to understand Chinese charitable behavior in terms of in‐groups and out‐groups. Results indicate that the Chinese more positively evaluate charity advertisements targeting in‐groups than those targeting out‐groups. This relationship between advertisement type and advertisement attitude is mediated by ethnocentrism. Furthermore, we found that familiarity with the Charity Law moderates the effect of ethnocentrism on advertisement attitude.
Fundraising for regional environmental issues: Public perceptions of who is financially responsible for the local environment
Authors: Jones Jennifer A. , Bi Xiang
Published: October 2020

Environmental nonprofit organizations attract less than 5 % of total philanthropic giving. Given the seriousness of the environmental challenges facing the globe, it is imperative to identify barriers to and best practices in soliciting environmental giving. Past studies have identified the difficulty in soliciting funding for macro‐level environmental concerns or for concerns considered to be public goods; however, little research has been conducted about giving to regional environmental concerns. Our research questions were as follows: (a) from what type of sources do residents believe environmental protection for regional environmental concerns should be funded?; (b) how willing are residents to contribute financially to regional environmental concerns?; and (c) to what extent do residents trust nonprofit organizations to address regional environmental concerns? We surveyed Florida residents (n = 548) about the conservation of the Ocklawaha River and the breaching of the Rodman Reservoir, an area with pressing environmental concerns and heavily frequented for economic and recreational use. Findings suggest that (a) participants believe government agencies, not nonprofits, should fund restoration projects, (b) participants trust nonprofits more than government to accomplish restoration goals, and (c) participants are more interested in contributing via taxes than via donations. Considerations for fundraising are discussed.
Predictors of liver fat among children and adolescents from five different ethnic groups
Authors: Maskarinec Gertraud , Garber Andrea K. , Wong Michael C. , Kelly Nisa , Kazemi Leila , Buchthal Steven D. , Fearnbach Nicole , Heymsfield Steven B. , Shepherd John A.
Published: October 2020

Objectives

As rates of obesity around the world have increased, so has the detection of high level of liver fat in children and adolescents. This may put them at risk for cardiovascular disease later in life. This analysis of a cross‐sectional population‐based study of children and adolescents evaluated demographic and lifestyle determinants of percent liver fat.

Methods

Healthy participants (123 girls and 99 boys aged 5–17 years) recruited by convenience sampling in three locations completed questionnaires, anthropometric measurements, and dual X‐ray absorptiometry and magnetic resonance imaging (MRI) assessment. General linear models were applied to estimate the association of demographic, anthropometric, and dietary factors as well as physical activity with MRI‐based percent liver fat.

Results

The strongest predictor of liver fat was body mass index (BMI; p < 0.0001); overweight and obesity were associated with 0.5% and 1% higher liver fat levels. The respective adjusted mean percent values were 2.9 (95% CI 2.7, 3.1) and 3.4 (95% CI 3.2, 3.6) as compared to normal weight (2.4; 95% CI 2.3, 2.6). Mean percent liver fat was highest in Whites and African Americans, intermediate in Hispanic, and lowest among Asians and Native Hawaiians/Pacific Islanders (p < 0.0001). Age (p = 0.67), sex (p = 0.28), physical activity (p = 0.74), and diet quality (p = 0.70) were not significantly related with liver fat.

Conclusions

This study in multiethnic children and adolescents confirms the strong relationship of BMI with percent liver fat even in a population with low liver fat levels without detecting an association with age, sex, and dietary or physical activity patterns.
Assessment of kidney function using inulin‐based and estimated glomerular filtration rates before and after allogeneic hematopoietic stem cell transplantation in pediatric patients
Authors: Matsuoka Daisuke , Hirabayashi Koichi , Murase Tsubasa , Saito Shoji , Hidaka Yoshihiko , Nakazawa Yozo
Published: October 2020

Background

Accurate evaluation of kidney function before and after allogeneic hematopoietic stem cell transplantation (allo‐HSCT) is important for both informed decision making and detection of chronic kidney disease. However, to the best of our knowledge, no report has evaluated the glomerular filtration rate (GFR) in pediatric patients who underwent HSCT using the gold standard GFR measurement, as well as inulin‐based GFR (iGFR).

Methods

We assessed iGFR before and after allo‐HSCT to evaluate the impact of allo‐HSCT on GFR in a prospective cohort study of 17 pediatric patients. We also assessed the accuracy and bias of the values of estimated GFR (eGFR) calculated using serum creatinine (Cr), cystatin C (CysC), beta‐2 microglobulin (β2MG), 24‐h creatinine clearance (24hCcr), and the full chronic kidney disease in children (CKiD) index that combines Cr, CysC, and blood urea nitrogen‐based equations with iGFR as a reference to identify the most reliable equation for GFR.

Results

There was no significant difference between the values before and after allo‐HSCT. CKiD CysC‐, 24hCcr‐, and full CKiD‐based values showed good within 30% (P30) accuracy (80.6%, 79.3%, and 80.6%, respectively), but only 24hCcr and full CKiD had good mean bias (8.5% and 8.9%, respectively) and narrow 95% limits of agreement (−32.2 to 52.7 mL/min/1.73 m2 and −29.3 to 47.4 mL/min/1.73 m2, respectively) compared with the corresponding iGFR.

Conclusion

There was no significant impact of allo‐HSCT on GFR in our cohort. The most reliable equations for pediatric patients with allo‐HSCT were eGFR‐24hCcr and eGFR‐full CKiD.
A robust empirical model equation for the compaction response of textile reinforcements
Authors: Blößl Yannick , Schledjewski Ralf
Published: October 2020

In this study, the empirical modeling of the compaction response of different fibrous reinforcements with a focus on natural fiber‐based textiles is investigated. The main objective is the improvement of an empirical modeling approach in terms of a constant high accuracy for different compaction behaviors and varying test conditions. Therefore, a new two‐parameter model function is derived based on the characteristics of the compaction work progression. Five different plant fiber textiles (flax and hemp) with different fiber architectures (nonwoven, woven, and unidirectional noncrimp fabric) and a woven glass fiber reinforcement are tested within compaction experiments, considering the variation of the stack height, the compaction rate and repetitive load‐unload cycles. The new empirical model shows an overall better accuracy with smaller deviations in quality compared to alternative, commonly used empirical model functions based on the power and exponential law, which are considered for comparison purposes.
High‐resolution epigenomic liquid biopsy for noninvasive phenotyping in pregnancy
Authors: Chu Tianjiao , Shaw Patricia , McClain Lora , Simhan Hyagriv , Peters David
Published: October 2020

Objective

We explored the potential of genome‐wide epigenomic liquid biopsy for the comprehensive analysis of cell‐free DNA (cfDNA) methylation signatures in maternal plasma in early gestation.

Method

We used solution phase hybridization for targeted region capture of bisulfite‐converted DNA obtained from plasma of pregnant women in early gestation and nonpregnant female controls.

Results

Targeted sequencing of ~80.5 Mb of the plasma methylome generated an average read depth across all 17 plasma samples of ~42x. We used these data to explore the pregnancy‐specific characteristics of cfDNA methylation in plasma and found that pregnancy resulted in clearly detectable global alterations in DNA methylation patterns that were influenced by genomic location. We analyzed similar, previously published, data from first‐trimester maternal leukocyte populations and gestational age–matched chorionic villus (CV) and confirmed that tissue‐specific DNA methylation signatures in these samples had a significant influence on global and gene‐specific methylation in the plasma of pregnant women.

Conclusion

We describe an approach for targeted epigenomic liquid biopsy in pregnancy and discuss our findings in the context of noninvasive prenatal testing with respect to phenotypic pregnancy monitoring and the early detection of complex gestational phenotypes such as preeclampsia and preterm birth.
Quantifying cumulative anticholinergic and sedative drug load among US Medicare Beneficiaries
Authors: Shmuel Shahar , Pate Virginia , Pepin Marc J. , Bailey Janine C. , Hanson Laura C. , Stürmer Til , Naumann Rebecca B. , Golightly Yvonne M. , Gnjidic Danijela , Lund Jennifer L.
Published: October 2020

Purpose

Medications with anticholinergic and sedative properties are widely used among older adults despite strong evidence of harm. The drug burden index (DBI), a pharmacological screening tool, measures these properties across drug classes, and higher DBI drug exposure (DBI > 1) has been associated with certain physical function‐related adverse events. Our aim was to quantify mean daily DBI drug exposure among older adults in the United States (US).

Methods

We screened medications for DBI properties and operationalized the DBI for US Medicare claims. We then conducted a retrospective cohort study of a 20% random, nationwide sample of 4 137 384 fee‐for‐service Medicare beneficiaries aged 66+ years (134 757 039 person‐months) from January 2013 to December 2016. We measured the monthly distribution based on mean daily DBI, categorized as (a) >0 vs 0 (any use) and (b) 0, 0 < DBI ≤ 1, 1 < DBI ≤ 2, and DBI > 2, and examined temporal trends. We described patient‐level factors (eg, demographics, healthcare use) associated with high (>2) vs low (0 < DBI≤1) DBI drug exposure.

Results

The distribution of the mean daily DBI, aggregated at the month‐level, was: 58.1% DBI = 0, 29.0% 0 < DBI≤1, 9.3% 1 < DBI≤2, and 3.7% DBI > 2. Predictors of high monthly DBI drug exposure (DBI > 2) included certain indicators of increased healthcare use (eg, high number of drug claims), white race, younger age, frailty, and a psychosis diagnosis code.

Conclusions

The predictors of high DBI drug exposure can inform discussions between patients and providers about medication appropriateness and potential de‐prescribing. Future Medicare‐based studies should assess the association between the DBI and adverse events.
Design, synthesis, and insecticidal activities of novel 5‐substituted 4,5‐dihydropyrazolo[1,5‐a]quinazoline derivatives
Authors: Yang Shuai , Lai Qiuqin , Lai Fengwen , Jiang Xunyuan , Zhao Chen , Xu Hanhong
Published: October 2020

BACKGROUND

Chemical pesticides are the main measures for pest control, but have caused growing resistance of pests and brought a series of environmental problems. Development of high‐efficient insecticidal molecules with novel scaffolds is therefore particularly urgent.

RESULTS

Based on a [5 + 1] annulation reaction with 5‐amino‐1H‐phenylpyrazole and dialkyl bromomalonate, 27 novel five‐substituted 4,5‐dihydropyrazolo[1,5‐a]quinazolines were designed following the intermediate derivatization method and synthesized. Bioassay results indicated that most of the test compounds displayed good insecticidal activities against Plutella xylostella, Spodoptera frugiperda, and Solenopsis invicta. In particular, the insecticidal activities of compounds 4a, 4f, and 4m against P. xylostella [median lethal concentration (LC50) values ranged from 3.87 to 5.10 mg L−1] were comparable to that of indoxacarb (LC50 = 4.82 mg L−1). In addition, compounds 4a and 9e showed similar high insecticidal activities against Spodoptera frugiperda (mortality rate = 79.63% and 72.12%) at 100 mg L−1, comparable to that of fipronil (mortality rate: 68.44%); compound 9a showed possible delayed toxicity against Solenopsis invicta (mortality rate: 95.66%) after 5 days of treatment at 1.0 mg L−1.

CONCLUSION

Due to their high insecticidal activities against P. xylostella, compound 4m, 4a, and 4f could be considered as qualified candidates for novel insecticide. Several other 4,5‐dihydropyrazolo[1,5‐a]quinazolines with relatively high bioactivity, such as compounds 9a and 9e, are also worth further optimization as potential insecticide or anticide candidates.
All resistance alleles are not equal: the high fitness cost of super‐kdr in the absence of insecticide
Authors: Freeman Jamie C , San Miguel Keri , Scott Jeffrey G
Published: October 2020

BACKGROUND

Mutations in the voltage‐sensitive sodium channel are an important mechanism of resistance to pyrethroid insecticides. In Musca domestica, common resistance alleles are kdr, super‐kdr and kdr‐his. The levels of resistance that these alleles confer is known, but the fitness of these alleles relative to each other and to susceptible alleles is unknown. We used crosses from congenic strains of M. domestica to establish populations with known allele frequencies and then examined the changes in allele and genotype frequencies over 25 generations under laboratory conditions.

RESULTS

There was a significant fitness cost for the super‐kdr allele, which decreased from the starting frequency of 0.25 to 0.05 after 25 generations. The fitness of the kdr, kdr‐his and susceptible alleles were similar. The greatest change in genotype frequency was seen for the super‐kdr/super‐kdr genotype, which was no longer detected after 25 generations.

CONCLUSION

The fitness cost associated with the super‐kdr allele is consistent with previous reports and appears to be a factor in helping to restrain high levels of resistance in field populations (the super‐kdr allele confers higher levels of resistance than kdr or kdr‐his). It is known that the relative costs of different alleles are environmentally dependent, but our results also demonstrate that the relative fitness of given alleles depends on which alleles are present in a given population, as previous pairwise comparisons of allele fitness do not exactly match (except for super‐kdr) the results obtained using this four allele study. © 2020 Society of Chemical Industry
Differential development times of galls induced by Leptocybe invasa (Hymenoptera: Eulophidae) reveal differences in susceptibility between two Eucalyptus clones
Authors: Sarmento Maíra Ignacio , Pinto Glória , Araújo Wagner L , Silva Renata C , Lima Carlos Henrique O , Soares Amadeu MVM , Sarmento Renato A
Published: October 2020

BACKGROUND

The significance of morphological responses of hosts on susceptibility against gall‐inducing insects is relatively unknown, especially in planted forests. Here, we investigate the temporal morphological responses (gall development) induced by the invasive gall wasp Leptocybe invasa and the subsequent insect development in two Eucalyptus clones.

RESULTS

Our results identified a novel stage of gall development, not previously reported, termed here ‘brownish ring’. In both hosts similar gall development stages were observed. Although L. invasa oviposited in both clones, comparison of external morphological traits of galls over time revealed a differential response in the number of galls between clones. Comparison of the developmental time of each gall and insect stage between clones suggests that plant defense mechanisms against L. invasa are activated shortly after oviposition by the wasp, yet before gall formation.

CONCLUSION

Gall number is an important parameter that should be used to measure host susceptibility among Eucalyptus clones. To the best of our knowledge, this is the first study showing differential morphological responses induced by a galling insect, even before gall formation, revealing differences in susceptibility between different plant hosts. These findings provide insight into the use of early stages of gall formation by L. invasa to prevent invasion and establishment of this pest.
Average and Local Crystal Structures of Multiferroic Eu1−xYxMnO3 (x = 0.2 and 0.4)
Authors: Asaka Toru , Matsumoto Ryouhei , Kimura Koji , Urushihara Daisuke , Ichikawa Hodaka , Komabuchi Mai , Iwama Hirotaka , Tanaka Kenta , Fukuda Koichiro , Happo Naohisa , Kakimoto Ken-ichi , Hayashi Kouichi
Published: October 2020

Crystal structures of the multiferroic Eu1−xYxMnO3 (x = 0.2, 0.4) are investigated from the point of view of average and local structure analyses using single‐crystal X‐ray diffraction (XRD) and X‐ray fluorescence holography (XFH). With increasing Y content, the lattice constants decrease and the orthorhombic distortions increase. The differences between the local structures around Eu and Y are observed in the reconstructed atomic images by XFH. x = 0.2 and 0.4 compounds exhibit different local distortions at Mn sites, whereas no characteristic difference is shown in the average structures. In this system, the long‐range structural coherence is likely to be maintained even with significant substitution of Y.
Nature of the bond, reduction potential, and solvation properties of ruthenium nitrosyl complexes of the type trans‐[Ru(NH3)4(L)(NO)]2+/3+ and [Ru(salen)(L)(NO)]2+/3+ in different charge and spin states
Authors: Silva Rodrigues Gabriel L. , Rocha Willian R.
Published: October 2020

In this work, we present a systematic study of the nature of the RuNO bond, reduction potential, and behavior in the solution of several ruthenium nitrosyl complexes of the type trans‐[Ru(NH3)4(L)(NO)]2+/3+ (L = Cl, H2O, NH3, OH, py = pyridine, POEt3 = triethylphosphite, TVP = trivinyl phosphite) and [Ru(salen)(L)(NO)]2+/3+ (L = Cl, H2O) in different charge and spin states. We employed density functional theory, complete active space self‐consistent field, the quantum theory of atoms in molecules, charge decomposition analysis, and Monte Carlo statistical simulation in aqueous solution to investigate how the different ligands on the coordination sphere of the ruthenium atom can affect the nature of the RuNO bond and, therefore, its reactivity, reduction potential, and solvation properties. The nature of the RuNO bond varies significantly between the singlet, doublet, and triplet electronic states of these complexes, in part due to the change in the coordination mode of the NO ligand and also due to the electron correlation effects along the RuNO bond that changes drastically. For all complexes studied, the RuNO bond shows some intriguing characteristics, such as large kinetic energy density and considerable amount of electron localization between the atoms, besides high multiconfigurational character, with a significant contribution from the RuIIINO0 configuration. In addition, for all the complexes investigated, the NO ligand does not interact with the solvent through hydrogen bonds, making this group accessible for chemical reactions in solution. Another important finding was that some of the RuIIINO compounds can be reduced by biological reducing agents in the singlet ground state, while all of them have high reduction potentials in the triplet excited state, making them suitable candidates for the photorelease of nitric oxide.
Theoretical insights on the luminescent mechanism of an efficient aggregation‐induced nondoped delayed fluorescence emitter using QM/MM method
Authors: Sun Hao , Yin Xiu , Liu Zhi‐Peng , Wei Shu‐Li , Fan Jian‐Zhong , Lin Li‐Li , Sun Yu‐Ping
Published: October 2020

Thermally activated delayed fluorescence (TADF) materials with an aggregation‐induced emission (AIE) mechanism have great potential for use in organic light‐emitting diodes (OLEDs). In this study, the luminescent mechanism of a novel efficient aggregation‐induced, nondoped, delayed fluorescence emitter 2‐(10H‐phenoxazin‐10‐yl)‐10‐phenyl‐10H‐phenothiazine‐5,5‐dioxide (PXZ2PTO) is theoretically studied based on first‐principles calculations. The polarizable continuum model and quantum mechanics and molecular mechanics method are used to simulate the surrounding environments for molecules in the toluene solution and the solid phase, respectively. Our results show that PXZ2PTO exhibits the superior AIE property. The nonradiative decay rate in the solid phase is two orders of magnitude lower than that in toluene, caused by the suppressed geometry changes during excitations and decay channels. Meanwhile, studies of intermolecular interactions using the dimer model indicate that PXZ2PTO possesses a special highly stereoscopic structure in the solid phase, and the electron acceptor group is almost perpendicular to the electron donor group, inducing a strong steric hindrance effect between adjacent molecules and leading to enhanced intramolecular interaction. Furthermore, the excited‐state dynamics studies show that the intersystem and reverse intersystem crossing rates of PXZ2PTO are comparable to the radiative decay rate, which indicates that PXZ2PTO is an excellent potential TADF emitter with full exciton usage. Our theoretical research gives a reasonable explanation of the experimental results and provides valuable information for designing highly efficient AIE‐TADF emitters in practical OLEDs.