bluuebunny/crossref_metadata_2025 huggingface dataset:
Confirmation of the shell-boring oyster parasite Polydora websteri (Polychaeta: Spionidae) in Washington State, USA
Authors: Martinelli Julieta C. , Lopes Heather M. , Hauser Lorenz , Jimenez-Hidalgo Isadora , King Teri L. , Padilla-Gamiño Jacqueline L. , Rawson Paul , Spencer Laura H. , Williams Jason D. , Wood Chelsea L.
Published: March 2020

Invasions by shell-boring polychaetes such as Polydora websteri Hartman have resulted in the collapse of oyster aquaculture industries in Australia, New Zealand, and Hawaii. These worms burrow into bivalve shells, creating unsightly mud blisters that are unappealing to consumers and, when nicked during shucking, release mud and detritus that can foul oyster meats. Recent findings of mud blisters on the shells of Pacific oysters (Crassostrea gigas Thunberg) in Washington State suggest a new spionid polychaete outbreak. To determine the identity of the polychaete causing these blisters, we obtained Pacific oysters from two locations in Puget Sound and examined them for blisters and burrows caused by polychaete worms. Specimens were also obtained from eastern oysters (Crassostrea virginica Gmelin) collected in New York for morphological and molecular comparison. We compared polychaete morphology to original descriptions, extracted DNA and sequenced mitochondrial (cytochrome c oxidase I [mtCOI]) and nuclear (small subunit 18S rRNA [18S rRNA]) genes to determine a species-level molecular identification for these worms. Our data show that Polydora websteri are present in the mud blisters from oysters grown in Puget Sound, constituting the first confirmed record of this species in Washington State. The presence of this notorious invader could threaten the sustainability of oyster aquaculture in Washington, which currently produces more farmed bivalves than any other US state.
Clinical and economic impact of methicillin-resistant Staphylococcus aureus: a multicentre study in China
Authors: Zhen Xuemei , Lundborg Cecilia Stålsby , Zhang Meiling , Sun Xueshan , Li Yuanyuan , Hu Xiaoqian , Gu Shuyan , Gu Yuxuan , Wei Jingming , Dong Hengjin
Published: March 2020

Methicillin-resistant Staphylococcus aureus (MRSA) has become a serious threat to global health. In China, the proportion of S. aureus isolates that were MRSA was 44.6% in 2014. The clinical and economic impact of MRSA in China remains largely uninvestigated. This study aims to compare the differences in hospital costs, length of hospital stay, and hospital mortality rate between MRSA and methicillin-susceptible S. aureus (MSSA) colonization or infection and between MRSA cases and those without an S. aureus infection. A retrospective and multicentre study was conducted in four tertiary hospitals in China between 2013 and 2015. Inpatient characteristics and hospital costs were collected from electronic medical records. We conducted propensity score matching (PSM) to eliminate selection bias by balancing the potential confounding variables between the two groups. The main indicators included hospital costs, length of hospital stay, and hospital mortality rate. A total of 1,335 inpatients with MRSA, 1,397 with MSSA, and 33,606 without an S. aureus infection were included. PSM obtained 954 and 1,313 pairs between the MRSA and MSSA groups and between the MRSA and S. aureus-free groups, respectively. After PSM, MRSA colonization or infection is associated with an increased total hospital cost ranging from $3,220 to $9,606, an excess length of hospital stay of 6 days–14 days, and an attributable hospital mortality rate of 0–3.58%. Between the MRSA and MSSA groups, MRSA colonization or infection was significantly associated with a higher total hospital cost and longer length of hospital stay among survivors but not among non-survivors; however, there were no differences in the hospital mortality rate between these two groups. Between the MRSA and the S. aureus-free groups, MRSA colonization or infection was significantly associated with an increased total hospital cost, a prolonged length of hospital stay and a higher hospital mortality rate among both survivors and non-survivors. It is critical to quantify the clinical and economic impact of MRSA to justify resource allocation for the development of strategies to improve clinical outcomes and to reduce the economic burden.
Evaluating the holistic costs and benefits of corn production systems in Minnesota, US
Authors: Sandhu Harpinder , Scialabba Nadia El-Hage , Warner Chris , Behzadnejad Fatemeh , Keohane Kieran , Houston Richard , Fujiwara Daniel
Published: March 2020

Global agriculture aims to minimize its impacts on environment and human health while maintaining its productivity. This requires a comprehensive understanding of its benefits and costs to ecosystems and society. Here, we apply a new evaluation framework developed by the Economics of Ecosystems and Biodiversity for Agriculture and Food (TEEBAgriFood) to assess key benefits and costs on the production side of genetically modified (GM) and organic corn systems in Minnesota, USA. The market value of GM corn is $4.5 billion, and only $31.8 million for organic corn using production data and market prices of 2017. GM corn generates revenue of $1488 per hectare (at $121 per MT), which is significantly lower than the organic corn at $2793 per hectare (at $294 per MT). Using a novel three-stage wellbeing valuation, analysis of the associations between corn production intensity and subjective measures of general health and wellbeing indicates that the total non-financial health cost associated with GM corn is $427.50 per hectare or $1.3 billion annually. We also find that the total annual environmental cost associated with GM corn production is $179 per hectare or $557.65 million within Minnesota. The use of the evaluation framework can help to improve decision making at farm and policy level to develop sustainable agriculture in order to minimize environmental and health related costs to society and economy.
Surface Enhanced Visible Absorption of Dye Molecules in the Near-Field of Gold Nanoparticles
Authors: Elhani S. , Ishitobi H. , Inouye Y. , Ono A. , Hayashi S. , Sekkat Z.
Published: March 2020

Surface enhanced absorption is a plasmonic effect parenting to surface enhanced fluorescence and Raman scattering, and it was clearly reported to occur in the infrared region of the spectrum of light. In this paper, we unambiguously show that it also occurs in the visible region of the spectrum by using a dye; i.e. an azo-dye, which exhibits a good light absorption in that region, and gold nanoparticles, which act as plasmonic nanoantennas that capture and re-radiate light, when the azo-dyes and the nanoparticles are incorporated in the bulk of solid films of polymer. In such a configuration, it is possible to use a dye concentration much larger than that of the nanoparticles and absorption path lengths much larger than those of the molecularly thin layers used in surface enhanced effects studies. In addition, the dye undergoes shape and orientation change; i.e. isomerization and reorientation, upon polarized light absorption; and the observation of surface enhanced visible absorption is done by two separate experiments; i.e. UV-visible absorption spectroscopy and photo-induced birefringence, since the signals detected from both experiments are directly proportional to the extinction coefficient of the dye. Both the dye’s absorption and photoorientation are enhanced by the presence of the nanoparticles.
Reaction diffusion system prediction based on convolutional neural network
Authors: Li Angran , Chen Ruijia , Farimani Amir Barati , Zhang Yongjie Jessica
Published: March 2020

The reaction-diffusion system is naturally used in chemistry to represent substances reacting and diffusing over the spatial domain. Its solution illustrates the underlying process of a chemical reaction and displays diverse spatial patterns of the substances. Numerical methods like finite element method (FEM) are widely used to derive the approximate solution for the reaction-diffusion system. However, these methods require long computation time and huge computation resources when the system becomes complex. In this paper, we study the physics of a two-dimensional one-component reaction-diffusion system by using machine learning. An encoder-decoder based convolutional neural network (CNN) is designed and trained to directly predict the concentration distribution, bypassing the expensive FEM calculation process. Different simulation parameters, boundary conditions, geometry configurations and time are considered as the input features of the proposed learning model. In particular, the trained CNN model manages to learn the time-dependent behaviour of the reaction-diffusion system through the input time feature. Thus, the model is capable of providing concentration prediction at certain time directly with high test accuracy (mean relative error <3.04%) and 300 times faster than the traditional FEM. Our CNN-based learning model provides a rapid and accurate tool for predicting the concentration distribution of the reaction-diffusion system.
Functional Consequences of PDK4 Deficiency in Doberman Pinscher Fibroblasts
Authors: Bolfer Luiz , Estrada Amara H. , Larkin Chelsea , Conlon Thomas J. , Lourenco Francisco , Taggart Kathryn , Suzuki-Hatano Silveli , Pacak Christina A.
Published: March 2020

A splice site mutation in the canine pyruvate dehydrogenase kinase 4 (PDK4) gene has been shown to be associated with the development of dilated cardiomyopathy (DCM) in Doberman Pinchers (DPs). Subsequent studies have successfully demonstrated the use of dermal fibroblasts isolated from DPs as models for PDK4 deficiency and have shown activation of the intrinsic (mitochondrial mediated) apoptosis pathway in these cells under starvation conditions. For this study, we sought to further explore the functional consequences of PDK4 deficiency in DP fibroblasts representing PDK4wt/wt, PDK4wt/del, and PDK4del/del genotypes. Our results show that starvation conditions cause increased perinuclear localization of mitochondria and decreased cell proliferation, altered expression levels of pyruvate dehydrogenase phosphatase (PDP) and pyruvate dehydrogenase (PDH), dramatically increased PDH activity, and an impaired response to mitochondrial stress in affected cells. In sum, these results show the broad impact of PDK4 deficiency and reveal mechanistic pathways used by these cells in an attempt to compensate for the condition. Our data help to elucidate the mechanisms at play in this extremely prevalent DP disorder and provide further support demonstrating the general importance of metabolic flexibility in cell health.
An atlas of evidence-based phenotypic associations across the mouse phenome
Authors: Tanaka Nobuhiko , Masuya Hiroshi
Published: March 2020

To date, reliable relationships between mammalian phenotypes, based on diagnostic test measurements, have not been reported on a large scale. The purpose of this study was to present a large mouse phenotype-phenotype relationships dataset as a reference resource, alongside detailed evaluation of the resource. We used bias-minimized comprehensive mouse phenotype data and applied association rule mining to a dataset consisting of only binary (normal and abnormal phenotypes) data to determine relationships among phenotypes. We present 3,686 evidence-based significant associations, comprising 345 phenotypes covering 60 biological systems (functions), and evaluate their characteristics in detail. To evaluate the relationships, we defined a set of phenotype-phenotype association pairs (PPAPs) as a module of phenotypic expression for each of the 345 phenotypes. By analyzing each PPAP, we identified phenotype sub-networks consisting of the largest numbers of phenotypes and distinct biological systems. Furthermore, using hierarchical clustering based on phenotype similarities among the 345 PPAPs, we identified seven community types within a putative phenome-wide association network. Moreover, to promote leverage of these data, we developed and published web-application tools. These mouse phenome-wide phenotype-phenotype association data reveal general principles of relationships among mammalian phenotypes and provide a reference resource for biomedical analyses.
Data-Driven Audiogram Classification for Mobile Audiometry
Authors: Charih François , Bromwich Matthew , Mark Amy E. , Lefrançois Renée , Green James R.
Published: March 2020

Recent mobile and automated audiometry technologies have allowed for the democratization of hearing healthcare and enables non-experts to deliver hearing tests. The problem remains that a large number of such users are not trained to interpret audiograms. In this work, we outline the development of a data-driven audiogram classification system designed specifically for the purpose of concisely describing audiograms. More specifically, we present how a training dataset was assembled and the development of the classification system leveraging supervised learning techniques. We show that three practicing audiologists had high intra- and inter-rater agreement over audiogram classification tasks pertaining to audiogram configuration, symmetry and severity. The system proposed here achieves a performance comparable to the state of the art, but is significantly more flexible. Altogether, this work lays a solid foundation for future work aiming to apply machine learning techniques to audiology for audiogram interpretation.
Author Correction: Daphnia stressor database: Taking advantage of a decade of Daphnia ‘-omics’ data for gene annotation
Authors: Ravindran Suda Parimala , Lüneburg Jennifer , Gottschlich Lisa , Tams Verena , Cordellier Mathilde
Published: March 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Proteinuria is Associated with Urinary Loss of Cubilin and Vitamin D-Binding Protein in Patients with Preeclampsia
Authors: Albejante Maria Clara , Kunz Tânia Cristina Macedo , Ferreira Matheus Feliciano Costa , Júnior José Humberto Zago Ribeiro , de Almeida Robson José , Bacigalupo Lucas dos Santos , Matheus Luiz Henrique Gomes , Dalboni Maria Aparecida , Camacho Cleber Pinto , Dellê Humberto
Published: March 2020

Women with preeclampsia (PE) form a vulnerable group for vitamin D3 deficiency. Reabsorption of vitamin D3 occurs in the proximal tubule after being endocytosed in combination with DBP (vitamin D binding protein) by the megalin/cubilin receptor. Because proteinuria promotes tubule injury and dysfunction, we hypothesized that the proteinuria present in PE could promote the loss of these components into the urine. Twenty preeclamptic patients and ten normal pregnant women with a gestational age greater than 20 weeks composed three groups: NC, normotensive control pregnant patients; PE, non-proteinuric preeclamptic patients; and PPE, preeclamptic patients with proteinuria. When proteinuria was absent, preeclampsia was diagnosed accordingly to the American College of Obstetricians and Gynecologists’ (ACOG) guideline. The presence of 24-hour proteinuria equal to or greater than 300 mg was considered to form the PPE group. Urinary cubilin, megalin, and DBP were measured by ELISA and normalized by urinary creatinine. Regarding gestational age, there was no difference between the groups. NC group had arterial pressure within normal values, whereas PE and PPE groups had a significant increase (p < 0.01). As expected, PPE group presented elevated ACR (p < 0.05), accompanied by large amounts of cubilin and DBP in the urine (p < 0.05 vs. NC and PE). No difference was found in urinary megalin. PPE patients showed more chance of shedding cubilin into the urine compared to non-proteinuric patients (odds ratio 12.7 (1.2–136.3). In conclusion, this study further tightens the relationship between PE and vitamin D3deficiency, since proteinuria present in PE induces the loss of molecules responsible for renal tubular vitamin D3reabsorption for subsequent activation. Combined with other factors, the proteinuria may intensify vitamin D3deficiency in PE.
HIF1 driven transcriptional activity regulates steroidogenesis and proliferation of bovine granulosa cells
Authors: Baddela Vijay Simha , Sharma Arpna , Michaelis Marten , Vanselow Jens
Published: March 2020

Hypoxia-inducible factor 1 (HIF1) is a heterodimeric transcription factor, consisting of a constitutively expressed β-subunit (HIF1B) and a regulated α-subunit (HIF1A). In the present study, we analyzed the HIF1 driven transcriptional activity in bovine granulosa cells (GC). Treatment of GC with FSH (follicle stimulating hormone) and IGF1 (insulin-like growth factor 1) resulted in the upregulation of HIF1A mRNA expression under normoxia. Immunohistochemistry of bovine ovarian sections showed distinct staining of HIF1A in the GC layer of different staged ovarian follicles. Suppression of HIF1 using echinomycin and gene knockdown procedures revealed that HIF1 transcriptionally regulates the genes associated with steroidogenesis (STAR, HSD3B and CYP19A1) and proliferation (CCND2 and PCNA) of GC. Further, our data suggest that CYP19A1, the key gene of estradiol production, is one of the plausible downstream targets of HIF1 in bovine GC as shown by gene expression, radioimmunoassay, and chromatin precipitation analysis. Based on these results, we propose that HIF1 driven transcriptional activity plays a crucial role in GC functionality, especially steroidogenesis and proliferation in developing bovine ovarian follicles.
Decomposing Simon task BOLD activation using a drift-diffusion model framework
Authors: McIntosh James R. , Sajda Paul
Published: March 2020

The Simon effect is observed in spatial conflict tasks where the response time of subjects is increased if stimuli are presented in a lateralized manner so that they are incongruous with the response information that they represent symbolically. Previous studies have used fMRI to investigate this phenomenon, and while some have been driven by considerations of an underlying model, none have attempted to directly tie model and BOLD response together. It is likely that this is due to Simon models having been predominantly descriptive of the phenomenon rather than capturing the full spectrum of behavior at the level of individual subjects. Sequential sampling models (SSM) which capture full response distributions for correct and incorrect responses have recently been extended to capture conflict tasks. In this study we use our freely available framework for fitting and comparing non-standard SSMs to fit the Simon effect SSM (SE-SSM) to behavioral data. This model extension includes specific estimates of automatic response bias and a conflict counteraction parameter to individual subject behavioral data. We apply this approach in order to investigate whether our task specific model parameters have a correlate in BOLD response. Under the assumption that the SE-SSM reflects aspects of neural processing in this task, we go on to examine the BOLD correlates with the within trial expected decision-variable. We find that the SE-SSM captures the behavioral data and that our two conflict specific model parameters have clear across subject BOLD correlates, while other model parameters, as well as more standard behavioral measures do not. We also find that examining BOLD in terms of the expected decision-variable leads to a specific pattern of activation that would not be otherwise possible to extract.
Nanoscopic X-ray tomography for correlative microscopy of a small meiofaunal sea-cucumber
Authors: Ferstl Simone , Schwaha Thomas , Ruthensteiner Bernhard , Hehn Lorenz , Allner Sebastian , Müller Mark , Dierolf Martin , Achterhold Klaus , Pfeiffer Franz
Published: March 2020

In the field of correlative microscopy, light and electron microscopy form a powerful combination for morphological analyses in zoology. Due to sample thickness limitations, these imaging techniques often require sectioning to investigate small animals and thereby suffer from various artefacts. A recently introduced nanoscopic X-ray computed tomography (NanoCT) setup has been used to image several biological objects, none that were, however, embedded into resin, which is prerequisite for a multitude of correlative applications. In this study, we assess the value of this NanoCT for correlative microscopy. For this purpose, we imaged a resin-embedded, meiofaunal sea cucumber with an approximate length of 1 mm, where microCT would yield only little information about the internal anatomy. The resulting NanoCT data exhibits isotropic 3D resolution, offers deeper insights into the 3D microstructure, and thereby allows for a complete morphological characterization. For comparative purposes, the specimen was sectioned subsequently to evaluate the NanoCT data versus serial sectioning light microscopy (ss-LM). To correct for mechanical instabilities and drift artefacts, we applied an alternative alignment procedure for CT reconstruction. We thereby achieve a level of detail on the subcellular scale comparable to ss-LM images in the sectioning plane.
Site of clear corneal incision in cataract surgery and its effects on surgically induced astigmatism
Authors: Piao Junjie , Joo Choun-Ki
Published: March 2020

Clear corneal incision (CCI) is a commonly used surgical approach in cataract surgery. In this prospective study, we evaluated the effect of CCI site on surgically induced astigmatism (SIA) and other postoperative astigmatic changes. CCIs were constructed based on the steep meridian of the total corneal refractive power in the 4.0-mm-zone (TCRP4.0), and patients were divided into four groups: temporal, superotemporal, superonasal, and superior according to the site of the incision. TCRP4.0 analysis demonstrated a statistically significant reduction of astigmatism with superior incisions (P < 0.001), and the combined mean polar values for SIA changed significantly in the temporal (Hotelling T2 = 1.977), superotemporal (Hotelling T2 = 0.544), superonsal (Hotelling T2 = 1.066), and superior incision groups (Hotelling T2 = 1.134) (all P < 0.001). The posterior axis alignment should be considered in cataract surgery with CCI, and the SIA is affected by axis rotation, and incision orientation.
Holocene ENSO variability in the South China Sea recorded by high-resolution oxygen isotope records from the shells of Tridacna spp.
Authors: Shao Da , Mei Yanjun , Yang Zhongkang , Wang Yuhong , Yang Wenqing , Gao Yuesong , Yang Lianjiao , Sun Liguang
Published: March 2020

The El Niño-Southern Oscillation (ENSO) is the principal climatic system in the modern Pacific Ocean, and it potentially influences the global climate. The South China Sea (SCS), in the western tropical Pacific, is significantly affected by ENSO activity. We have conducted a high-resolution oxygen isotope study of the shells of one modern and four fossil Tridacna from the Xisha Islands in the SCS. The results for the modern sample reveal that the shells of Tridacna are a good proxy of ENSO variability. We used the results of the oxygen isotope composition of four fossil Tridacna to produce high-resolution records of ENSO activity during four time slices in the Holocene. The results indicate that ENSO variability in the early Holocene was comparable to that of today, and that a minimum in the frequency and intensity of ENSO activity occurred in the mid Holocene. These findings are consistent with paleoclimatic results from corals, mollusks and sedimentary records. However, the observed extremely low frequency and moderate ENSO intensity at 4.7 ka indicate an anomalous pattern of ENSO changes within this interval of climatic transition. In addition, seasonal temperature variations during the Holocene were different from those of today and extreme seasonality may also occur during warmer periods.
Gene regulatory network analysis with drug sensitivity reveals synergistic effects of combinatory chemotherapy in gastric cancer
Authors: Lee Jeong Hoon , Park Yu Rang , Jung Minsun , Lim Sun Gyo
Published: March 2020

The combination of docetaxel, cisplatin, and fluorouracil (DCF) is highly synergistic in advanced gastric cancer. We aimed to explain these synergistic effects at the molecular level. Thus, we constructed a weighted correlation network using the differentially expressed genes between Stage I and IV gastric cancer based on The Cancer Genome Atlas (TCGA), and three modules were derived. Next, we investigated the correlation between the eigengene of the expression of the gene network modules and the chemotherapeutic drug response to DCF from the Genomics of Drug Sensitivity in Cancer (GDSC) database. The three modules were associated with functions related to cell migration, angiogenesis, and the immune response. The eigengenes of the three modules had a high correlation with DCF (−0.41, −0.40, and −0.15). The eigengenes of the three modules tended to increase as the stage increased. Advanced gastric cancer was affected by the interaction the among modules with three functions, namely cell migration, angiogenesis, and the immune response, all of which are related to metastasis. The weighted correlation network analysis model proved the complementary effects of DCF at the molecular level and thus, could be used as a unique methodology to determine the optimal combination of chemotherapy drugs for patients with gastric cancer.
AppendiXNet: Deep Learning for Diagnosis of Appendicitis from A Small Dataset of CT Exams Using Video Pretraining
Authors: Rajpurkar Pranav , Park Allison , Irvin Jeremy , Chute Chris , Bereket Michael , Mastrodicasa Domenico , Langlotz Curtis P. , Lungren Matthew P. , Ng Andrew Y. , Patel Bhavik N.
Published: March 2020

The development of deep learning algorithms for complex tasks in digital medicine has relied on the availability of large labeled training datasets, usually containing hundreds of thousands of examples. The purpose of this study was to develop a 3D deep learning model, AppendiXNet, to detect appendicitis, one of the most common life-threatening abdominal emergencies, using a small training dataset of less than 500 training CT exams. We explored whether pretraining the model on a large collection of natural videos would improve the performance of the model over training the model from scratch. AppendiXNet was pretrained on a large collection of YouTube videos called Kinetics, consisting of approximately 500,000 video clips and annotated for one of 600 human action classes, and then fine-tuned on a small dataset of 438 CT scans annotated for appendicitis. We found that pretraining the 3D model on natural videos significantly improved the performance of the model from an AUC of 0.724 (95% CI 0.625, 0.823) to 0.810 (95% CI 0.725, 0.895). The application of deep learning to detect abnormalities on CT examinations using video pretraining could generalize effectively to other challenging cross-sectional medical imaging tasks when training data is limited.
Author Correction: Analysis of sequencing strategies and tools for taxonomic annotation: Defining standards for progressive metagenomics
Authors: Escobar-Zepeda Alejandra , Godoy-Lozano Elizabeth Ernestina , Raggi Luciana , Segovia Lorenzo , Merino Enrique , Gutiérrez-Rios Rosa María , Juarez Katy , Licea-Navarro Alexei F. , Pardo-Lopez Liliana , Sanchez-Flores Alejandro
Published: March 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Author Correction: Neural control of fasting-induced torpor in mice
Authors: Hitrec Timna , Luppi Marco , Bastianini Stefano , Squarcio Fabio , Berteotti Chiara , Lo Martire Viviana , Martelli Davide , Occhinegro Alessandra , Tupone Domenico , Zoccoli Giovanna , Amici Roberto , Cerri Matteo
Published: March 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Author Correction: Dimorphic metabolic and endocrine disorders in mice lacking the constitutive androstane receptor
Authors: Lukowicz Céline , Ellero-Simatos Sandrine , Régnier Marion , Oliviero Fabiana , Lasserre Frédéric , Polizzi Arnaud , Montagner Alexandra , Smati Sarra , Boudou Frédéric , Lenfant Françoise , Guzylack-Pirou Laurence , Menard Sandrine , Barretto Sharon , Fougerat Anne , Lippi Yannick , Naylies Claire , Bertrand-Michel Justine , Belgnaoui Afifa Ait , Theodorou Vassilia , Marchi Nicola , Gourdy Pierre , Gamet-Payrastre Laurence , Loiseau Nicolas , Guillou Hervé , Mselli-Lakhal Laïla
Published: March 2020

An amendment to this paper has been published and can be accessed via a link at the top of the paper.
Structure–function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand
Authors: Zhao Sheng-Ze , Qin Chun-Yan , Wang Shi , Yamashita Masahiro , Li Yong-Hua , Huang Wei
Published: March 2020

Different SCO processes with a big conjugated hexadentate Schiff-base ligand reported in d4 SCO chemistry.
Fermented blueberry pomace ameliorates intestinal barrier function through the NF-κB-MLCK signaling pathway in high-fat diet mice
Authors: Cheng Yuxin , Wu Ting , Tang Shuxin , Liang Fuqiang , Fang Yajing , Cao Weiwei , Pan Siyi , Xu Xiaoyun
Published: March 2020

The barrier-improving functions of fermented blueberry pomace (FBP) and its potential mechanism were investigated in this study.
Astaxanthin (ATX) enhances the intestinal mucosal functions in immunodeficient mice
Authors: Zhang Lirong , Cao Wanxiu , Gao Yuan , Yang Ruili , Zhang Xu , Xu Jie , Tang Qingjuan
Published: March 2020

ATX has protective effects on intestinal mucosal dysfunction in Cy-induced immunodeficient mice.
Effect of fluorine substituents on benzothiadiazole-based D–π–A′–π–A photosensitizers for dye-sensitized solar cells
Authors: Li Shuping , Yang Xichuan , Zhang Li , An Jincheng , Cai Bin , Wang XiuNa
Published: March 2020

The results and interpretations can clearly explain the reasons for the poor photovoltaic performance of DFBT in DSSCs.
Dual-gate low-voltage transparent electric-double-layer thin-film transistors with a top gate for threshold voltage modulation
Authors: Dou Wei , Tan Yuanyuan
Published: March 2020

Dual gate (DG) low-voltage transparent electric-double-layer (EDL) thin-film transistors (TFTs) with microporous-SiO2 for both top and bottom dielectrics have been fabricated, both dielectrics were deposited by plasma-enhanced chemical vapor deposition (PECVD).
Excited-state proton-coupled electron transfer within ion pairs
Authors: Swords Wesley B. , Meyer Gerald J. , Hammarström Leif
Published: March 2020

Electrostatic ion pairs provide a general method to study excited-state proton-coupled electron transfer. A PTaETb mechanism is identified for the ES-PCET oxidation of salicylate within photoexcited cationic ruthenium–salicylate ion pairs.
Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy
Authors: Schwaller Philippe , Petraglia Riccardo , Zullo Valerio , Nair Vishnu H. , Haeuselmann Rico Andreas , Pisoni Riccardo , Bekas Costas , Iuliano Anna , Laino Teodoro
Published: March 2020

We present an extension of our Molecular Transformer model combined with a hyper-graph exploration strategy for automatic retrosynthesis route planning without human intervention.
Catalytic resonance theory: parallel reaction pathway control
Authors: Ardagh M. Alexander , Shetty Manish , Kuznetsov Anatoliy , Zhang Qi , Christopher Phillip , Vlachos Dionisios G. , Abdelrahman Omar A. , Dauenhauer Paul J.
Published: March 2020

Branched catalytic reaction networks with oscillating chemical pathways perfectly select for reaction products at varying frequency.
Band gap of reduced graphene oxide tuned by controlling functional groups
Authors: Jin Yiqian , Zheng Yiteng , Podkolzin Simon G. , Lee Woo
Published: March 2020

Functionalization of reduced graphene oxide with epoxide groups allows tuning its band gap energy.
High-quality-factor anodic alumina optical microcavities prepared by cyclic anodizing with voltage versus optical path length modulation
Authors: Kushnir Sergey E. , Komarova Tatiana Yu. , Napolskii Kirill S.
Published: March 2020

Precise control over the porous structure of anodic alumina allows one to produce high-quality-factor optical microcavities.
Chiral phosphoric acid catalyzed asymmetric arylation of indolesvianucleophilic aromatic substitution: mechanisms and origin of enantioselectivity
Authors: Lu Ka , Feng Xiao , Yan Chao-Xian , Yang Fang-Ling , Yang Xing , Zhou Pan-Pan , Yang Zhaoyong
Published: March 2020

Asymmetric arylation of indolesvianucleophilic aromatic substitution can be effectively achieved using chiral phosphoric acid as catalyst, where the mechanisms and origin of enantioselectivity were explored theoretically.
Importance of the synergistic effects between cobalt sulfate and tetrahydrofuran for selective production of 5-hydroxymethylfurfural from carbohydrates
Authors: Sun Kai , Shao Yuewen , Li Qingyin , Zhang Lijun , Ye Zhengmao , Dong Dehua , Zhang Shu , Wang Yi , Li Xueli , Hu Xun
Published: March 2020

CoSO4/THF can selectively catalyze conversion of fructose to HMF, which is a cost-effective route for production and separation of HMF.
Rich novel zero-dimensional (0D), 1D, and 2D topological elements predicted in the P63/m type ternary boride HfIr3B4
Authors: Wang Xiaotian , Cheng Zhenxiang , Zhang Gang , Wang Biao , Wang Xiao-Lin , Chen Hong
Published: March 2020

Based on first-principles calculations, we propose for the first time that three different (0D, 1D, and 2D) TEs are simultaneously present in a synthetic compound, HfIr3B4, with a P63/m type structure.
Engineered defects in cerium oxides: tuning chemical reactivity for biomedical, environmental, & energy applications
Authors: Seal Sudipta , Jeyaranjan Aadithya , Neal Craig J. , Kumar Udit , Sakthivel Tamil S. , Sayle Dean C.
Published: March 2020

This review highlights the unique surface structures/defect characters mediating nanoceria efficacy in varied applications. Further, efforts to ‘nanoengineer’ ceria nanoformulations toward optimal performance in application are analyzed and detailed.
1-(2H-Azirine-2-carbonyl)benzotriazoles: building blocks for the synthesis of pyrrole-containing heterocycles
Authors: Galenko Ekaterina E. , Shakirova Firuza M. , Bodunov Vladimir A. , Novikov Mikhail S. , Khlebnikov Alexander F.
Published: March 2020

A simple strategy was developed for the synthesis of pyrrole-containing polyheterocycles by sequential annulation of 2H-azirine-2-carbonylbenzotriazoles derived from 5-chloroisoxazoles.
Base-promoted addition of DMA with 1,1-diarylethylenes: application to a total synthesis of (−)-sacidumlignan B
Authors: Luo Zhen-Biao , Wang Ya-Wen , Peng Yu
Published: March 2020

Addition of DMA to 1,1′-diarylethylenes promoted by base has been developed, which results in a new synthetic strategy for (−)-sacidumlignan B.
Block copolymer hierarchical structures from the interplay of multiple assembly pathways
Authors: Ianiro Alessandro , Chi Meng , Hendrix Marco M. R. M. , Koç Ali Vala , Eren E. Deniz , Sztucki Michael , Petukhov Andrei V. , de With Gijsbertus , Esteves A. Catarina C. , Tuinier Remco
Published: March 2020

Structurally complex hierarchical block copolymer assemblies can be formed in solution by controlling the interplay of phase separation, crystallization and block segregation with temperature.
Tetrafluoroaryl azide as an N-terminal capping group for click-to-dissolve diphenylalanine hydrogels
Authors: Dadhwal Sumit , Fairhall Jessica M. , Hook Sarah , Gamble Allan B.
Published: March 2020

A tetrafluoroaryl azide group attached to diphenylalanine via a carbamate linker provides a strong and stable hydrogel that undergoes a gel-to-solution transition following a rapid bioorthogonal 1,3,-dipolar cycloaddition.
Electromagnetic radiation driving of volume changes in nanocomposites made of a thermosensitive hydrogel polymerized around conducting polymer nanoparticles
Authors: Abel Silvestre Bongiovanni , Rivarola Claudia R. , Barbero Cesar A. , Molina Maria
Published: March 2020

A novel synthetic method of photothermally activated nanocomposites byin situformation of hydrogel matrixes around dispersed conducting polymer nanoparticles is described.
Efficiency and stability enhancement of perovskite solar cells using reduced graphene oxide derived from earth-abundant natural graphite
Authors: Suragtkhuu Selengesuren , Tserendavag Odonchimeg , Vandandoo Ulziibayar , Bati Abdulaziz S. R. , Bat-Erdene Munkhjargal , Shapter Joseph G. , Batmunkh Munkhbayar , Davaasambuu Sarangerel
Published: March 2020

Solution processed reduced graphene oxide nanosheets have been prepared from naturally abundant graphite flakes and used to enhance the efficiency and stability of perovskite solar cells.
Revealing the defect-dominated oxygen evolution activity of hematene
Authors: Mohanty Bishnupad , Wei Yidan , Ghorbani-Asl Mahdi , Krasheninnikov Arkady V. , Rajput Parasmani , Jena Bikash Kumar
Published: March 2020

Oxygen electrocatalysis is vital for advanced energy technologies, but inordinate challenges remain due to the lack of highly active earth-abundant catalysts.
The role of connectivity in significant bandgap narrowing for fused-pyrene based non-fullerene acceptors toward high-efficiency organic solar cells
Authors: Liu Shungang , Su Wenyan , Zou Xianshao , Du Xiaoyan , Cao Jiamin , Wang Nong , Shen Xingxing , Geng Xinjian , Tang Zilong , Yartsev Arkady , Zhang Maojie , Gruber Wolfgang , Unruh Tobias , Li Ning , Yu Donghong , Brabec Christoph J. , Wang Ergang
Published: March 2020

Isomers of non-fullerene acceptors with pyrene as cores but fused at different positions were studied. FPIC6 possessed ∼119 nm of red-shift absorption and much higher power conversion efficiency of 11.55% as compared to its structural isomer FPIC5.
Modified gaphene oxide (GO) particles in peptide hydrogels: a hybrid system enabling scheduled delivery of synergistic combinations of chemotherapeutics
Authors: Schneible John D. , Shi Kaihang , Young Ashlyn T. , Ramesh Srivatsan , He Nanfei , Dowdey Clay E. , Dubnansky Jean Marie , Lilova Radina L. , Gao Wei , Santiso Erik , Daniele Michael , Menegatti Stefano
Published: March 2020

Composite material enabling the delivery of synergistic combination of doxorubicin and gemcitabine against breast cancer with molar and kinetic precision.
Magnetic proline-based ionic liquid surfactant as a nano-carrier for hydrophobic drug delivery
Authors: Kulshrestha Akshay , Gehlot Praveen Singh , Kumar Arvind
Published: March 2020

Biofriendly and magnetic proline based ionic liquid surfactant demonstrated for drug delivery system.
Machine-learning computation of distance modulus for local galaxies
Authors: Elyiv A. A. , Melnyk O. V. , Vavilova I. B. , Dobrycheva D. V. , Karachentseva V. E.
Published: March 2020

Context.Quickly growing computing facilities and an increasing number of extragalactic observations encourage the application of data-driven approaches to uncover hidden relations from astronomical data. In this work we raise the problem of distance reconstruction for a large number of galaxies from available extensive observations.

Aims.We propose a new data-driven approach for computing distance moduli for local galaxies based on the machine-learning regression as an alternative to physically oriented methods. We use key observable parameters for a large number of galaxies as input explanatory variables for training: magnitudes inU,B,I, andKbands, corresponding colour indices, surface brightness, angular size, radial velocity, and coordinates.

Methods.We performed detailed tests of the five machine-learning regression techniques for inference ofm−M: linear, polynomial,k-nearest neighbours, gradient boosting, and artificial neural network regression. As a test set we selected 91 760 galaxies atz <  0.2 from the NASA/IPAC extragalactic database with distance moduli measured by different independent redshift methods.

Results.We find that the most effective and precise is the neural network regression model with two hidden layers. The obtained root–mean–square error of 0.35 mag, which corresponds to a relative error of 16%, does not depend on the distance to galaxy and is comparable with methods based on the Tully–Fisher and Fundamental Plane relations. The proposed model shows a 0.44 mag (20%) error in the case of spectroscopic redshift absence and is complementary to existing photometric redshift methodologies. Our approach has great potential for obtaining distance moduli for around 250 000 galaxies atz <  0.2 for which the above-mentioned parameters are already observed.
The discovery of radio halos in the frontier fields clusters Abell S1063 and Abell 370
Authors: Xie C. , van Weeren R. J. , Lovisari L. , Andrade-Santos F. , Botteon A. , Brüggen M. , Bulbul E. , Churazov E. , Clarke T. E. , Forman W. R. , Intema H. T. , Jones C. , Kraft R. P. , Lal D. V. , Mroczkowski T. , Zitrin A.
Published: March 2020

Context. Massive merging galaxy clusters often host diffuse megaparsec-scale radio synchrotron emission. This emission originates from relativistic electrons in the ionized intracluster medium. An important question is how these synchrotron emitting relativistic electrons are accelerated.

Aims. Our aim is to search for diffuse emission in the Frontier Fields clusters Abell S1063 and Abell 370 and characterize its properties. While these clusters are very massive and well studied at some other wavelengths, no diffuse emission has been reported for these clusters so far.

Methods. We obtained 325 MHz Giant Metrewave Radio Telescope (GMRT) and 1–4 GHz Jansky Very Large Array (VLA) observations of Abell S1063 and Abell 370. We complement these data with Chandra and XMM-Newton X-ray observations.

Results. In our sensitive images, we discover radio halos in both clusters. In Abell S1063, a giant radio halo is found with a size of ∼1.2 Mpc. The integrated spectral index between 325 MHz and 1.5 GHz is −0.94 ± 0.08 and it steepens to −1.77 ± 0.20 between 1.5 and 3.0 GHz. This spectral steepening provides support for the turbulent reacceleration model for radio halo formation. Abell 370 hosts a faint radio halo mostly centered on the southern part of this binary merging cluster, with a size of ∼500−700 kpc. The spectral index between 325 MHz and 1.5 GHz is −1.10 ± 0.09. Both radio halos follow the known scaling relation between the cluster mass proxy Y500 and radio power, which is consistent with the idea that they are related to ongoing cluster merger events.
Episodic accretion constrained by a rich cluster of outflows
Authors: Nony T. , Motte F. , Louvet F. , Plunkett A. , Gusdorf A. , Fechtenbaum S. , Pouteau Y. , Lefloch B. , Bontemps S. , Molet J. , Robitaille J.-F.
Published: March 2020

Context. The accretion history of protostars remains widely mysterious, even though it represents one of the best ways to understand the protostellar collapse that leads to the formation of stars.

Aims. Molecular outflows, which are easier to detect than the direct accretion onto the prostellar embryo, are here used to characterize the protostellar accretion phase in W43-MM1.

Methods. The W43-MM1 protocluster hosts a sufficient number of protostars to statistically investigate molecular outflows in a single, homogeneous region. We used the CO(2–1) and SiO(5–4) line datacubes, taken as part of an ALMA mosaic with a 2000 AU resolution, to search for protostellar outflows, evaluate the influence that the environment has on these outflows’ characteristics and put constraints on outflow variability in W43-MM1.

Results. We discovered a rich cluster of 46 outflow lobes, driven by 27 protostars with masses of 1−100 M⊙. The complex environment inside which these outflow lobes develop has a definite influence on their length, limiting the validity of using outflows’ dynamical timescale as a proxy of the ejection timescale in clouds with high dynamics and varying conditions. We performed a detailed study of Position–Velocity diagrams of outflows that revealed clear events of episodic ejection. The time variability of W43-MM1 outflows is a general trend and is more generally observed than in nearby, low- to intermediate-mass star-forming regions. The typical timescale found between two ejecta, ~500 yr, is consistent with that found in nearby protostars.

Conclusions. If ejection episodicity reflects variability in the accretion process, either protostellar accretion is more variable, or episodicity is easier to detect in high-mass star-forming regions than in nearby clouds. The timescale found between accretion events could result from instabilities associated with bursts of inflowing gas arising from the close dynamical environment of high-mass star-forming cores.
A note on perfect simulation for Exponential Random Graph Models
Authors: Cerqueira Andressa , Garivier Aurélien , Leonardi Florencia
Published: March 2020

In this paper, we propose a perfect simulation algorithm for the Exponential Random Graph Model, based on the Coupling from the past method of Propp and Wilson (1996). We use a Glauber dynamics to construct the Markov Chain and we prove the monotonicity of the ERGM for a subset of the parametric space. We also obtain an upper bound on the running time of the algorithm that depends on the mixing time of the Markov chain.
Tightness and exponential tightness of Gaussian probabilities
Authors: Baldi Paolo
Published: March 2020

We prove a simple criterion of exponential tightness for sequences of Gaussian r.v.’s with values in a separable Banach space from which we deduce a general result of Large Deviations which allows easily to obtain LD estimates in various situations.
Wie Frauen im Rollstuhl Schwangerschaft, Geburt und Mutterrolle meistern
Authors: Stamm Anja , Lange Ute
Published: March 2020

„Waaas – ihr wollt Kinder bekommen?“ Bisweilen treffen Frauen im Rollstuhl auf Vorbehalte, wenn sie sich mit ihrem Partner für ein Kind entscheiden. Auch Hebammen und Geburtshelfer sind vielfach nur rudimentär auf Schwangere mit Querschnittlähmung vorbereitet. Dabei gibt es keinen Grund für Berührungsängste. Potenzielle Risiken sind erforscht und Empfehlungen für die Betreuung und Behandlung verfügbar. DIE HEBAMME hat Frauen mit Rückenmarkschädigung befragt, wie ihre Schwangerschaft und Geburt verlaufen ist und wie ihr Leben mit Baby und Handicap gelingt.
Workout in der Küche – Sturzprävention mit dem LiFE-Konzept
Authors: Gugenhan Julia , Kroog Anna , Endress Christoph , Leonhard Rebekka , Groß Michaela
Published: March 2020

Ältere Menschen stürzen vor allem aufgrund von nachlassender Gleichgewichtsfähigkeit und reduzierter Muskelkraft. Das Programm „Lifestyle integrated Functional Exercise“ (LiFE) setzt an diesen Punkten an und zielt darauf ab, Verhaltensänderungen in die Alltagsroutine sturzgefährdeter Personen zu integrieren – als Einzel- oder Gruppenangebot.
Erfrischend einfach – Mit Wasserflaschen die obere Extremität trainieren
Authors: Huber Martin , Horstmann Christine
Published: March 2020

Reichen, greifen, manipulieren – drei elementare Aktivitäten, die Patienten mit neurologischen Erkrankungen häufig trainieren müssen. Durch alltagsnahes und intensives Üben können sie Schlüsselkomponenten wie die Handgelenkextension und die Flexion im Schultergelenk verbessern. Eine gute und einfache Therapie ist das Training mit Wasserflaschen.
Patienten im Akutstadium abweisen – Herpesviren-Infektionen
Authors: Baumgärtner Martina
Published: March 2020

Jeder Mensch trägt Herpesviren in sich. Doch nur bei wenigen lösen die Erreger auch Krankheiten aus. Diese können, abhängig vom Virentyp, harmlos oder komplizierter verlaufen. Weil einige der acht Herpesarten im Akutstadium auch ansteckend sind, sollten Therapeuten Patienten in dieser Zeit abweisen.