bluuebunny/crossref_metadata_2025 huggingface dataset:
Predicting Polyethylene Molecular Weight and Composition Distributions Obtained Using a Multi‐Site Catalyst in a Gas‐Phase Lab‐Scale Reactor
Authors: Aiello Jennifer P. , Jiang Yan , Moebus Joseph A. , Greenhalgh Brian R. , McAuley Kimberley B.
Published: January 2021

A dynamic model is developed to predict detailed chain‐length and comonomer incorporation behavior during gas‐phase ethylene/hexene copolymerization using a supported hafnocene catalyst. The multi‐site catalyst results in a copolymer with a broad orthogonal composition distribution (BOCD) where the high molecular‐weight tail has high hexene incorporation. The model relies on gel permeation chromatography measurements obtained using multiple detectors (GPC‐4D), so that the composition of the copolymer is determined for different chain‐length fractions. Chain‐length distributions are discretized into bins so that comparisons can be made between GPC‐4D data and model predictions. Parameter estimation is aided by an estimability‐ranking procedure and a mean‐squared‐error selection criterion to determine that 22 of 36 model parameters can be estimated using product characterization and reactor operating data from 10 semi‐batch reactor runs. An additional 4 runs are used for model validation, confirming the predictive power of the model. The proposed model can aid the selection of reactor operating conditions to achieve targeted copolymer properties.
The Parkinson's Disease DNA Variant Browser
Authors: Kim Jonggeol J. , Makarious Mary B. , Bandres‐Ciga Sara , Gibbs Jesse Raphael , Ding Jinhui , Hernandez Dena G. , Brooks Janet , Grenn Francis P. , Iwaki Hirotaka , Singleton Andrew B. , Nalls Mike A. , Blauwendraat Cornelis ,   International Parkinson's Disease Genomics Consortium (IPDGC)
Published: January 2021

Background

Parkinson's disease (PD) is a genetically complex neurodegenerative disease with ~20 genes known to contain mutations that cause PD or atypical parkinsonism. Large‐scale next‐generation sequencing projects have revolutionized genomics research. Applying these data to PD, many genes have been reported to contain putative disease‐causing mutations. In most instances, however, the results remain quite limited and rather preliminary. Our aim was to assist researchers on their search for PD‐risk genes and variant candidates with an easily accessible and open summary‐level genomic data browser for the PD research community.

Methods

Sequencing and imputed genotype data were obtained from multiple sources and harmonized and aggregated.

Results

In total we included a total of 102,127 participants, including 28,453 PD cases, 1650 proxy cases, and 72,024 controls.

Conclusions

We present here the Parkinson's Disease Sequencing Browser: a Shiny‐based web application that presents comprehensive summary‐level frequency data from multiple large‐scale genotyping and sequencing projects https://pdgenetics.shinyapps.io/VariantBrowser/. Published © 2021 This article is a U.S. Government work and is in the public domain in the USA. Movement Disorders published by Wiley Periodicals LLC on behalf of International Parkinson and Movement Disorder Society.
Gene correction of the CLN3 c.175G>A variant in patient‐derived induced pluripotent stem cells prevents pathological changes in retinal organoids
Authors: Zhang Xiao , Zhang Dan , Thompson Jennifer A. , Chen Shang‐Chih , Huang Zhiqin , Jennings Luke , McLaren Terri L. , Lamey Tina M. , De Roach John N. , Chen Fred K. , McLenachan Samuel
Published: January 2021

Background

Mutations in CLN3 cause Batten disease, however non‐syndromic CLN3 disease, characterized by retinal‐specific degeneration, has been also described. Here, we characterized an induced pluripotent stem cell (iPSC)‐derived disease model derived from a patient with non‐syndromic CLN3‐associated retinopathy.

Methods

Patient‐iPSC, carrying the 1 kb‐deletion and c.175G>A variants in CLN3, coisogenic iPSC, in which the c.175G>A variant was corrected, and control iPSC were differentiated into neural retinal organoids (NRO) and cardiomyocytes. CLN3 transcripts were analyzed by Sanger sequencing. Gene expression was characterized by qPCR and western blotting. NRO were characterized by immunostaining and electron microscopy.

Results

Novel CLN3 transcripts were detected in adult human retina and control‐NRO. The major transcript detected in patient‐NRO displayed skipping of exons 2 and 4–9. Accumulation of subunit‐C of mitochondrial ATPase (SCMAS) protein was demonstrated in patient‐derived cells. Photoreceptor progenitor cells in patient‐NRO displayed accumulation of peroxisomes and vacuolization of inner segments. Correction of the c.175G>A variant restored CLN3 mRNA and protein expression and prevented SCMAS and inner segment vacuolization.

Conclusion

Our results demonstrate the expression of novel CLN3 transcripts in human retinal tissues. The c.175G>A variant alters splicing of the CLN3 pre‐mRNA, leading to features consistent with CLN3 deficiency, which were prevented by gene correction.
Automatic liver segmentation using 3D convolutional neural networks with a hybrid loss function
Authors: Tan Man , Wu Fa , Kong Dexing , Mao Xiongwei
Published: January 2021

Purpose

Automatic liver segmentation from abdominal computed tomography (CT) images is a fundamental task in computer‐assisted liver surgery programs. Many liver segmentation algorithms are very sensitive to fuzzy boundaries and heterogeneous pathologies, especially when the data are scarce. To solve these problems, we propose an automatic liver segmentation framework based on three‐dimensional (3D) convolutional neural networks with a hybrid loss function.

Methods

Two networks are incorporated in our method with the first being a liver shape autoencoder that is trained to obtain compressed codes of liver shapes, and the second being a liver segmentation network that is trained with a hybrid loss function. The design of the hybrid loss function is comprised of three parts. The first part is an adaptively weighted cross‐entropy loss, which pays more attention to misclassified pixels. The second part is an edge‐preserving smoothness loss, which guarantees that the adjacent pixels with the same label have similar outputs, while dissimilar for pixels with different labels. The third part of the loss is a shape constraint to model high‐level structural differences based on the learned shape codes. Both networks use 3D operations for data processing. In our experiments, data augmentation is performed at both the training and the test stage.

Results

We extensively evaluated our method on two datasets: the Segmentation of the Liver Competition 2007 (Sliver07), and the Combined (CT‐MR) Healthy Abdominal Organ Segmentation (CHAOS) Challenge. Finally, with only 20 training scans, we achieved the best score of 82.55 on the Sliver07 challenge, and a score of 83.02 on the CHAOS challenge.

Conclusions

In this study, we proposed a novel hybrid loss to overcome the difficulties in liver segmentation. The quantitative and qualitative results demonstrate that our method is highly suited for pathological liver segmentation, even when trained with a small dataset.
Quantification of myocardial oxygen extraction fraction: A proof‐of‐concept study
Authors: Lu Lillian , Eldeniz Cihat , An Hongyu , Li Ran , Yang Yang , Schindler Thomas H. , Peterson Linda R. , Woodard Pamela K. , Zheng Jie
Published: January 2021

Purpose

To demonstrate a proof of concept for the measurement of myocardial oxygen extraction fraction (mOEF) by a cardiovascular magnetic resonance technique.

Methods

The mOEF measurement was performed using an electrocardiogram‐triggered double‐echo asymmetric spin‐echo sequence with EPI readout. Seven healthy volunteers (22‐37 years old, 5 females) were recruited and underwent the same imaging scans at rest on 2 different days for reproducibility assessment. Another 5 subjects (23‐37 years old, 4 females) underwent cardiovascular magnetic resonance studies at rest and during a handgrip isometric exercise with a 25% of maximal voluntary contraction. Both mOEF and myocardial blood volume values were obtained in septal regions from respective maps.

Results

The reproducibility was excellent for the measurements of mOEF in septal myocardium (coefficient of variation: 3.37%) and moderate for myocardial blood volume (coefficient of variation: 19.7%). The average mOEF and myocardial blood volume of 7 subjects at rest were 0.61 ± 0.05 and 11.0 ± 4.3%, respectively. The mOEF agreed well with literature values that were measured by PET in healthy volunteers. In the exercise study, there was no significant change in mOEF (0.61 ± 0.06 vs 0.62 ± 0.07) or myocardial blood volume (12 ± 6% vs 13 ± 4%) from rest to exercise, as expected.

Conclusion

The implemented cardiovascular magnetic resonance method shows potential for the quantitative assessment of mOEF in vivo. Future technical work is needed to improve image quality and to further validate mOEF measurements.
Evaluation of a similarity anisotropic diffusion denoising approach for improving in vivo CEST‐MRI tumor pH imaging
Authors: Romdhane Feriel , Villano Daisy , Irrera Pietro , Consolino Lorena , Longo Dario Livio
Published: January 2021

Purpose

Chemical exchange saturation transfer MRI provides new approaches for investigating tumor microenvironment, including tumor acidosis that plays a key role in tumor progression and resistance to therapy. Following iopamidol injection, the detection of the contrast agent inside the tumor tissue allows measurements of tumor extracellular pH. However, accurate tumor pH quantifications are hampered by the low contrast efficiency of the CEST technique and by the low SNR of the acquired CEST images, hence in a reduced detectability of the injected agent. This work aims to investigate a novel denoising method for improving both tumor pH quantification and accuracy of CEST‐MRI pH imaging.

Methods

An hybrid denoising approach was investigated for CEST‐MRI pH imaging based on the combination of the nonlocal mean filter and the anisotropic diffusion tensor method. The denoising approach was tested in simulated and in vitro data and compared with previously reported methods for CEST imaging and with established denoising approaches. Finally, it was validated with in vivo data to improve the accuracy of tumor pH maps.

Results

The proposed method outperforms current denoising methods in CEST contrast quantification and detection of the administered contrast agent at several increasing noise levels with simulated data. In addition, it achieved a better pH quantification in in vitro data and demonstrated a marked improvement in contrast detection and a substantial improvement in tumor pH accuracy in in vivo data.

Conclusion

The proposed approach effectively reduces the noise in CEST images and increases the sensitivity detection in CEST‐MRI pH imaging.
Investigating preferences between cash and in‐kind transfers among the food subsidy beneficiaries of India
Authors: Satapathy Jyotirmayee , Nayak Narayan Chandra , Mahakud Jitendra
Published: January 2021

This study examines the beneficiaries' preferences between cash and in‐kind transfer under the ongoing food subsidy program in India and the underlying factors behind that. It is based on a sample survey of 1069 households covering three different states of India namely Odisha, Maharashtra, and Chhattisgarh. The Probit model is employed to find out the preferences of the beneficiaries between cash and in‐kind transfer. The results reveal overwhelming preferences for in‐kind transfer. The latter emanates from possible food inflation and the endowment effect. However, when fungibility gains significance, people may prefer cash. Among contextual factors, lack of preparedness in terms of banking infrastructure as well as improvement in institutional quality and education level make in‐kind preferable. Hence, despite the need for cash transfer gaining ground, the in‐kind transfer may still be considered a better mode of transfer.
Changes in participant behaviour and attitudes are associated with knowledge and skills gained by using a turtle conservation citizen science app
Authors: Santori Claudia , Keith Ryan J. , Whittington Camilla M. , Thompson Michael B. , Van Dyke James U. , Spencer Ricky‐John
Published: January 2021

Citizen science has become a popular way to collect biodiversity data and engage the wider public in scientific research. It has the potential to improve the knowledge and skills of participants, and positively change their behaviour and attitude towards the environment. Citizen science outcomes are particularly valuable for wildlife conservation, as they could help alleviate human impacts on the environment.

We used an online questionnaire to investigate the consequences of participating in an Australian turtle mapping app, TurtleSAT, on skills and knowledge gain, and test for any association between these gains and behavioural or attitudinal changes reported by the participants.

One hundred and forty‐eight citizen scientists completed our questionnaire, mostly from the states of New South Wales and Victoria. TurtleSAT was the third most common source of correct answers about turtle ecology and conservation, after a talk about turtles and personal observations/research. Citizen scientists who participated more often were more knowledgeable about turtles than infrequent users. Self‐reported gains in knowledge and skills were positively linked to attitudinal and behavioural changes, such as being more aware of turtles on roads. However, behaviour and attitude changes were not related to participation rate. Respondents also reported that after learning about the current decline in turtle populations, they adopted several turtle‐friendly practices, such as habitat restoration or moving turtles out of harm's way, underlining the importance of increasing people's awareness on species declines.

The reported changes in attitudes and behaviours are likely to positively impact the conservation of Australian freshwater turtles. Engagement with citizen science projects like TurtleSAT may result in participants being more interested in the natural world, by learning more about it and being more exposed to it, and therefore contributing more actively to its protection.

A free Plain Language Summary can be found within the Supporting Information of this article.
The Lys 280 → Gln mutation mimicking disease‐linked acetylation of Lys 280 in tau extends the structural core of fibrils and modulates their catalytic properties
Authors: Kumar Harish , Udgaonkar Jayant B.
Published: January 2021

Amyloid fibrillar aggregates isolated from the brains of patients with neurodegenerative diseases invariably have post‐translational modifications (PTMs). The roles that PTMs play in modulating the structures and polymorphism of amyloid aggregates, and hence their ability to catalyze the conversion of monomeric protein to their fibrillar structure is, however, poorly understood. This is particularly true in the case of tau aggregates, where specific folds of fibrillar tau have been implicated in specific tauopathies. Several PTMs, including acetylation at Lys 280, increase aggregation of tau in the brain, and increase neurodegeneration. In this study, tau‐K18 K280Q, in which the Lys 280 → Gln mutation is used to mimic acetylation at Lys 280, is shown, using HX‐MS measurements, to form fibrils with a structural core that is longer than that of tau‐K18 fibrils. Measurements of critical concentrations show that the binding affinity of monomeric tau‐K18 for its fibrillar counterpart is only marginally more than that of monomeric tau‐K18 K280Q for its fibrillar counterpart. Quantitative analysis of the kinetics of seeded aggregation, using a simple Michaelis–Menten‐like model, in which the monomer first binds and then undergoes conformational conversion to β‐strand, shows that the fibrils of tau‐K18 K280Q convert monomeric protein more slowly than do fibrils of tau‐K18. In contrast, monomeric tau‐K18 K280Q is converted faster to fibrils than is monomeric tau‐K18. Thus, the effect of Lys 280 acetylation on tau aggregate propagation in brain cells is expected to depend on the amount of acetylated tau present, and on whether the propagating seed is acetylated at Lys 280 or not.
Identification of the metabolites of ivermectin in humans
Authors: Tipthara Phornpimon , Kobylinski Kevin C. , Godejohann Markus , Hanboonkunupakarn Borimas , Roth Alison , Adams John H. , White Nicholas J. , Jittamala Podjanee , Day Nicholas P. J. , Tarning Joel
Published: January 2021

Mass drug administration of ivermectin has been proposed as a possible malaria elimination tool. Ivermectin exhibits a mosquito‐lethal effect well beyond its biological half‐life, suggesting the presence of active slowly eliminated metabolites. Human liver microsomes, primary human hepatocytes, and whole blood from healthy volunteers given oral ivermectin were used to identify ivermectin metabolites by ultra‐high performance liquid chromatography coupled with high‐resolution mass spectrometry. The molecular structures of metabolites were determined by mass spectrometry and verified by nuclear magnetic resonance. Pure cytochrome P450 enzyme isoforms were used to elucidate the metabolic pathways. Thirteen different metabolites (M1‐M13) were identified after incubation of ivermectin with human liver microsomes. Three (M1, M3, and M6) were the major metabolites found in microsomes, hepatocytes, and blood from volunteers after oral ivermectin administration. The chemical structure, defined by LC‐MS/MS and NMR, indicated that M1 is 3″‐O‐demethyl ivermectin, M3 is 4‐hydroxymethyl ivermectin, and M6 is 3″‐O‐demethyl, 4‐hydroxymethyl ivermectin. Metabolic pathway evaluations with characterized cytochrome P450 enzymes showed that M1, M3, and M6 were produced primarily by CYP3A4, and that M1 was also produced to a small extent by CYP3A5. Demethylated (M1) and hydroxylated (M3) ivermectin were the main human in vivo metabolites. Further studies are needed to characterize the pharmacokinetic properties and mosquito‐lethal activity of these metabolites.
Characterizing the environmental drivers of the abundance and distribution of Alopecurus myosuroides on a national scale
Authors: Hicks Helen , Lambert James , Pywell Richard , Hulmes Lucy , Hulmes Sarah , Walker Kevin , Childs Dylan Z , Freckleton Robert P
Published: January 2021

BACKGROUND

Arable weeds threaten farming and food production, impacting on productivity. Large‐scale data on weed populations are typically lacking, and changes are frequently undocumented until they reach problem levels. Managing the future spread of weeds requires that we understand the factors that influence current densities and distributions. In doing so, one of the challenges is to measure populations at a large enough scale to be able to accurately measure changes in densities and distributions. Here we analyse the density and distribution of a major weed (Alopecurus myosuroides) on a large scale. Our objectives were to (i) develop a methodology for rapid measurement of occurrence and abundance, (ii) test hypotheses about the roles of soils and climate variation in determining densities, and (iii) use this information to identify areas in which occurrence could increase in the future.

RESULTS

Populations were mapped through England over 4 years in 4631 locations. We also analysed UK atlas data published over the past 50 years. Densities of populations show significant interannual variability, but historical data show that the species has spread. We find significant impacts of soil and rainfall on densities, which increase with the proportion of heavy soils, but decrease with increasing rainfall. Compared with independent atlas data we found that our statistical models provide good predictions of large‐scale occupancy and we provide maps of current and potential densities.

CONCLUSION

Models of spread highlight the localised nature of colonisation, and this emphasises the need for management to limit dispersal. Comparisons of current, historical and potential distributions suggest sizeable habitable areas in which increases in abundance are still possible.

© 2021 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
The Impact of Cesium and Antimony Alloying on the Photovoltaic Properties of Silver Bismuth Iodide Compounds
Authors: Hosseini Sakineh , Adelifard Mehdi
Published: January 2021

Silver bismuth iodide (SBI) rudorffites have received a lot of attention in photovoltaic applications because of their high stability and low toxic properties. Herein, the partial substitution of silver (Ag) with cesium (Cs) and also bismuth (Bi) with antimony (Sb) is investigated. According to the obtained results, adding Sb and Cs to the SBI compounds changes the crystallinity, creates the denser films with an increase in grain size of the nanoparticles, shifts the absorption edges to a higher wavelength, and decreases the bandgap energy values. All these changes in the physical properties of SBI layers lead to an improvement in the photovoltaic performance of the solar cells. A power conversion efficiency (PCE) of the solar cells increases from 0.43% in the pure SBI‐based films to 0.73% and 1.06% in the presence of Cs and Sb, respectively. Also, the stability of all devices is evaluated. It is observed that after 30 days, all devices preserve about 90% of their efficiency.
Comprehensive two‐dimensional gas chromatography‐high resolution mass spectrometry with complementary ionization methods in the study of 5000‐year‐old mummy
Authors: Lebedev Albert T. , Polyakova Olga V. , Artaev Viatcheslav B. , Mednikova Maria B. , Anokhina Eugenia A.
Published: January 2021

Rationale

Mummification is one of the defining customs of ancient Egypt. The nuances of the embalming procedure and the composition of the embalming mixtures have attracted the attention of scientists and laypeople for a long time. Modern analytical tools make mummy studies more efficient.

Methods

Comprehensive two‐dimensional gas chromatography‐high resolution mass spectrometry (GCxGC/HRMS) with complementary ionization methods (electron ionization, positive chemical ionization, and electron capture negative ionization [ECNI]) with a Pegasus GC‐HRT+4D instrument was used to identify embalming components in the mummy from the Pushkin Museum of Fine Arts acquired in 1913 in London at the de Rustafjaell sale. The mummy dates back to the late Predynastic period (direct accelerator mass spectrometry‐dating 3356–3098bc), being one of the oldest in the world.

Results

The results showed the complexity of the embalming mixtures that were already in use 5000 years ago. Several hundred organic compounds were identified in the mummy samples. Various types of hydrocarbons (triterpanes, steranes, isoprenoid, and polycyclic aromatic hydrocarbons) prove the presence of petroleum products. Iodinated compounds detected using ECNI define oils of marine origin, whereas esters of palmitic acid indicate the use of beeswax. The nature of the discovered components of conifer tar proves that the preliminary processing of conifer resins involved heating. GCxGC/HRMS also allowed a number of modern contaminants (phthalates, organophosphates, and even DDT) to be identified.

Conclusions

Application of a powerful GCxGC/HRMS technique with complementary ionization methods allowed significant widening of the range of organic compounds used for mummification that could be identified. The complexity of the embalming mixtures supports the hypothesis of the high social status of the child made on the basis of the preliminary study of the mummy.
Extending deep learning approaches for forest disturbance segmentation on very high‐resolution satellite images
Authors: Kislov Dmitry E. , Korznikov Kirill A. , Altman Jan , Vozmishcheva Anna S. , Krestov Pavel V.
Published: January 2021

Accurate remote detection of various forest disturbances is a challenge in global environmental monitoring. Addressing this issue is crucial for forest health assessment, planning salvage logging operations, modeling stand dynamics, and estimating forest carbon stocks and uptake. Substantial progress on this problem has been achieved owing to the rapid development of remote sensing devices that provide very high‐resolution images. Concurrently, image processing algorithms have witnessed rapid development owing to the extensive use of artificial neural networks with complex architectures and deep learning approaches. This opens new opportunities and perspectives for applying deep learning methods to solving various problems in environmental sciences. In this study, we used deep convolutional neural networks (DCNNs) to recognize forest damage induced by windthrows and bark beetles. We used satellite imagery of very high resolution in visual spectra represented as pansharpened images (RGB channels). When predicting forest damage, we obtained accuracies higher than 90% on test data for recognition of both windthrow areas and damaged trees impacted by bark beetles. A comparative analysis indicated that the DCNN‐based approach outperforms traditional pixel‐based classification methods (AdaBoost, random forest, support vector machine, quadratic discrimination) by at least several percentage points. DCNNs can learn a specific pattern of the area of interest and thus yield fewer false positive decisions than pixel‐based algorithms. The ability of DCNNs to generalize makes them a good tool for delineating smooth and ill‐defined boundaries of damaged forest areas, such as windthrow patches.
Preparation, characterization, and morphology insight of ZnO nanodisk–TiO2‐coated SWCNT thin film composites for catalytic sensor application
Authors: Rajabather JothiRamalingam , Albaqami Munirah D. , Lohedan Hamad A. , Arunachalam Prabhakarn , Thirunavukkarasu Kandasamy , Appaturi Jimmy Nelson
Published: January 2021

The hybrid thin film comprising ZnO and TiO2 nanoparticles deposited on single‐walled carbon nanotube (SWCNT) was prepared by sol–gel process on aluminum‐coated silicon wafer. The spin‐coated films were further processed by heat treatment followed by hydrothermal process. The synthesized materials were characterized by X‐ray diffraction (XRD), field emission scanning electron microscopy (FE‐SEM), and photoluminescence spectroscopy for band‐gap determination. The coated ZnO formed the nanodisk morphology on the surface of carbon nanotubes with TiO2 nanoparticles incorporated on Al/Si wafer. The FE‐SEM analysis before and after hydrothermal treatment with ZnO–TiO2–SWCNT/Al/Si was conducted. The surface properties of the prepared thin films were analyzed for Zn2p, Ti2p, C1s, and O1s of individual spectra by X‐ray photoelectron spectroscopy (XPS) analysis. Good reproducibility and quick response time were obtained for ultraviolet (UV) light‐sensing activity with ZnO/SWCNT and ZnO–TiO2/SWCNT nanocomposites exhibiting good hydrogen gas sensing activity.
Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach
Authors: Mohan Bharti , Muhammad Shabbir , Al‐Sehemi Abdullah G. , Bharti Sulakshna , Kumar Santosh , Choudhary Mukesh
Published: January 2021

The present investigation uses a dual approach to study the copper (II) complex [Cu(phen)3]. (ClO4)2.HL.CH3CN (1) and its cationic complex‐ [Cu(II)(phen)3]2+ (1 a), where, HL = 4‐Bromo‐2((Z) ‐(naphthalene‐4‐ylimino)methyl)phenol, phen=1,10‐phenanthroline. The complex (1) crystallized in the triclinic system of the space group P‐1 with two molecules in the unit cell and reveals a distorted octahedral geometry. Inspiring by recent developments to find a potential inhibitor for the COVID‐19 virus, we have also performed molecular docking study of [Cu(phen)3]+2 to see if our novel complex shows an affinity for the main protease (Mpro) of COVID‐19 spike protein. Interestingly, the results are found quite encouraging where the binding affinity and inhibition constant were found to be −8.400 kcal/mol and 0.661 μM, respectively, for the best‐docked confirmation of [Cu(II)(Phen)3]+2 complex with Mpro protein. This binding affinity is reasonably well as compared to recently known antiviral drugs. For instance, the binding affinity of [Cu(II)(Phen)3]+2 complex is found to be better than recently docking results of chloroquine (−6.293 kcal/mol), hydroxychloroquine (−5.573 kcal/mol) and remdesivir (−6.352 kcal/mol) with Mpro protein. Thus, we believe the broad‐spectrum functional properties of our complex will provoke not only the interest of material chemists in materials designing but also incite the drug designing community.
Chemical Sensors for Water Detection in Organic Solvents and their Applications
Authors: Kumar Pawan , Ghosh Amrita , Jose D. Amilan
Published: January 2021

Moisture or trace water detection at a very low level in organic solvents and other chemical reagents has great significance in the chemical and industrial process. At present, reports on chemical sensors for moisture are still in the early development phase and need continuous improvements. Recently, several approaches have been proposed for the easier detection of water content in the organic solvents. In this review article, we have summarized recent reports on chemical sensors used to detect water in organic solvents. The discussion is focused on optical methods, including fluorescent and colorimetric probes exploring solvatochromism, displacement of ligand or metal and water‐induced protonation. Besides, water detection in organic solvents by NMR spectroscopy is also discussed. Probe structure, sensitivity with organic solvents, spectroscopy detection limits, and possible application in various other research areas, including ink‐less writing, sweat pore mapping, food products and engineering materials are described in detail.
Phenanthridine‐Based Donor/Acceptor Fluorescent Dyes: Synthesis, Photophysical Properties and Fluorometric Sensing of Biogenic Primary Amines
Authors: Sawminathan Sathish , Munusamy Sathishkumar , Jothi Dhanapal , Iyer Sathiyanarayanan Kulathu
Published: January 2021

Synthesis of two new and straight forward phenanthridine based fluorophores (PA1 and PA2) have been described. The molecular structure of PA1 and PA2 was confirmed by spectroscopic studies (1H NMR, 13C NMR and HRMS). The dyes are further characterized by comprehensive photophysical study, and their data are critically analyzed. The fluorescence properties of these D−A chromophores are highly influenced by the position of the hydroxyl substitution and the solvent polarity. These probes exhibited an arsenal of advantageous features such as higher Stokes shift values and appreciable photostability. Compounds PA1 and PA2 are found to be indicating fluorescent ratiometric detection towards primary amines (PAs) with high selectivity and sensitivity. With this background, sensing of PAs was extended to biogenic amines as they have primary amine functionality. As expected, these fluorophores have excellent detection ability towards neurotransmitters, such as dopamine (DA) and serotonin (SN) with a low limit of detection (LOD) such as 1.61 nM and 0.31 nM respectively. The sensing mechanism of the probe PA1 with PAs are based on the nucleophilic addition and confirmed through investigation by 1H NMR titration, mass analysis and theoretical calculations. Moreover, sensor probe PA1 based test paper strip was developed, which could detect DA conveniently when visualized under 365 nm UV lamp.
A 1 cm2 Organic Solar Cell with 15.2% Certified Efficiency: Detailed Characterization and Identification of Optimization Potential
Authors: Würfel Uli , Herterich Jan , List Mathias , Faisst Jared , Bhuyian Md Fahmid Matin , Schleiermacher Hans-Frieder , Knupfer Klara T. , Zimmermann Birger
Published: January 2021

In organic photovoltaics, high power conversion efficiencies (PCE) are mostly achieved on device areas well below 0.1 cm2. Herein, organic solar cells based on a D18:Y6 absorber layer on an active area of ≥ 1 cm2 with a certified PCE of 15.24% are reported. The impacts of the sheet resistance of the transparent electrode and the cell design are quantified by means of full optical device simulations and an analytical electrical model. Three imaging methods (light beam‐induced current, dark lock‐in thermography, and electroluminescence [EL]) are applied and reveal a strong homogeneity of the record cell. Nevertheless, it is found that there is substantial room for improvement mostly in current but also in fill factor and that a PCE of 18.6% on ≥1 cm2 is feasible with this absorber material. Further, photoluminescence (PL) and EL spectroscopy reveal that both emissions occur at the same wavelength(s) and are very similar to the PL spectrum of a pure Y6 acceptor film. The latter points strongly toward electronic coupling between the S1 states of the acceptor and the charge transfer states at the donor/acceptor interface.
Layered Semiconducting 2D Materials for Future Transistor Applications
Authors: Su Sheng-Kai , Chuu Chih-Piao , Li Ming-Yang , Cheng Chao-Ching , Wong H.-S. Philip , Li Lain-Jong
Published: January 2021

Down‐scaling of transistor size in the lateral dimensions must be accompanied by a corresponding reduction in the channel thickness to ensure sufficient gate control to turn off the transistor. However, the carrier mobility of 3D bulk semiconductors degrades rapidly as the body thickness thins down due to more pronounced surface scattering. Two‐dimensional‐layered materials with perfect surface structures present a unique opportunity as they naturally have atomically thin and smooth layers while maintaining high carrier mobility. To benefit from continuous scaling, the performance of the scaled 2D transistors needs to outperform Si technology nowadays. There are already quite a few reviews discussing on the material property of potential 2D materials. It is believed that rigorous analysis based on industrial perspectives is needed. Herein, an analysis on channel material selection is presented and arguments on the four selected 2D semiconductors are provided, which can possibly meet the needs of future transistors, including WS2, SnSe, PtSe2, and InSe. The challenges and recent related research progresses for each material are also discussed.
Floating platform effects on power generation in spar and semisubmersible wind turbines
Authors: Johlas Hannah M. , Martínez‐Tossas Luis A. , Churchfield Matthew J. , Lackner Matthew A. , Schmidt David P.
Published: January 2021

The design and financing of commercial‐scale floating offshore wind projects require a better understanding of how power generation differs between newer floating turbines and well‐established fixed‐bottom turbines. In floating turbines, platform mobility causes additional rotor motion that can change the time‐averaged power generation. In this work, OpenFAST simulations examine the power generated by the National Renewable Energy Laboratory's 5‐MW reference turbine mounted on the OC3‐UMaine spar and OC4‐DeepCWind semisubmersible floating platforms, subjected to extreme irregular waves and below‐rated turbulent inflow wind from large‐eddy simulations of a neutral atmospheric boundary layer. For these below‐rated conditions, average power generation in floating turbines is most affected by two types of turbine displacements: an average rotor pitch angle that reduces power, caused by platform pitch; and rotor motion upwind‐downwind that increases power, caused by platform surge and pitch. The relative balance between these two effects determines whether a floating platform causes power gains or losses compared to a fixed‐bottom turbine; for example, the spar creates modest (3.1%–4.5%) power gains, whereas the semisubmersible creates insignificant (0.1%–0.2%) power gains for the simulated conditions. Furthermore, platform surge and pitch motions must be analyzed concurrently to fully capture power generation in floating turbines, which is not yet universal practice. Finally, a simple analytical model for predicting average power in floating turbines under below‐rated wind speeds is proposed, incorporating effects from both the time‐averaged pitch displacement and the dynamic upwind‐downwind displacements.
From object detection to text detection and recognition: A brief evolution history of optical character recognition
Authors: Wang Haifeng , Pan Changzai , Guo Xiao , Ji Chunlin , Deng Ke
Published: January 2021

Text detection and recognition, which is also known as optical character recognition (OCR), is an active research area under quick development with a lot of exciting applications. Deep‐learning‐based methods represent the state‐of‐art of this area. However, these methods are largely deterministic: they give a deterministic output for each input. For both statisticians and general users, methods supporting uncertainty inference are of great appeal, leaving rich research opportunities to incorporate statistical models and methods with the established deep‐learning‐based approaches. In this paper, we provide a comprehensive review of the evolution history of research development on OCR with discussions on the statistical insights behind these developments and potential directions to enhance the current methods with statistical approaches. We hope this article can serve as a useful guidebook for statisticians who are seeking for a path toward edge‐cutting research in this exciting area.

This article is categorized under:

Statistical Learning and Exploratory Methods of the Data Sciences > Deep Learning

Data: Types and Structure > Image and Spatial Data
Owner–CEO Collaboration Case
Authors: Szederjei Elena
Published: January 2021

The combination of owner and CEO roles can be both a blessing and a disaster. The success mainly depends on professional and personal skills of the person in charge. HR competence and financial literacy are compulsory for a CEO. It is reasonable to separate ownership and company’s guidance in case when the owner is insufficiently skilled in these areas.
Financial Competence on the Board Case
Authors: Leibfried Peter
Published: January 2021

While accounting at first sight always seems to be about numbers only, in reality, it does heavily involve people and culture. Thus, also general management should be open to the respective issues, and not push it into a technical, sometimes even “nerdy” corner. Very often, discussions about numbers are in reality discussions about underlying business or cultural issues. In order to bring them up, the board needs at least one member (financial expert) who is on a level playing field with the CFO and the auditor and will not be distracted by (presumably) complicated technical questions.
Fraud Governance Case
Authors: van Eenennaam Fred , Michel Hagar
Published: January 2021

The Imtech case is about a Dutch listed company that tried a restart and failed at that restart.

A couple of spinning questions are in the case among which.

• Why did the supervisory board and the management board dynamics prevent from taking appropriate actions?

• Why did the decentral local entrepreneurial model fail and to what extend were missing Corp governance systems to blame?

• What should the supervisory board have done to mitigate their company and personal risks?
Unitarity of entanglement and islands in two-sided Janus black holes
Authors: Bak Dongsu , Kim Chanju , Yi Sang-Heon , Yoon Junggi
Published: January 2021

Abstract

We explore the entanglement evolution of boundary intervals in eternal Janus black holes that can be embedded consistently into string theory in the low-energy limit. By studying the geodesics we show that there is a transition in the entanglement characteristic around the Page time, which manifests the unitarity of the evolution. We reproduce and reinterpret these bulk results from two different lower-dimensional perspectives: first as an interface CFT in the usual AdS/CFT correspondence and second as an effective gravity theory in one lower dimension coupled to a radiation background. In the limit where the number of interface degrees of freedom becomes large, we obtain an effective theory on appropriate branes that replace the deep interior region in the bulk, coined the shadow region. In this effective theory, we also identify the island of the radiation entanglement wedge and verify the newly proposed quantum extremization method. Our model clarifies that double holography with gravity in two higher dimensions can be realized in a concrete and consistent way and that the occurrence of islands is natural in one higher dimension. Furthermore, our model reveals that there can be a transitional behavior of the Page curve before the Page time, which is related to the emergence of new matter degrees of freedom on the branes.
Bone cement implantation syndrome in cemented hip hemiarthroplasty—a persistent risk
Authors: Weingärtner Karoline , Störmann Philipp , Schramm David , Wutzler Sebastian , Zacharowski Kai , Marzi Ingo , Lustenberger Thomas
Published: January 2021

Background

Every year, ~ 210,000 initial implantations of hip endoprostheses are carried out in Germany alone. The “bone cement implantation syndrome” (BCIS) is considered a severe peri- and early-postoperative complication when implanting cemented prostheses. The origin of the BCIS and its impact on the clinical outcome are still uncertain. This study investigates the clinical progression after BCIS cases in patients with cemented hemiarthroplasty. Risk factors for the occurrence of BCIS are evaluated.

Material and methods

Clinical data of all patients with a proximal femur fracture and which received a cemented hemiarthroplasty within a period of 9.5 years have been collected. BCIS (+) patients and BCIS (−) patients were compared with respect to their demographics and clinical outcome. Risk factors for the development of BCIS were identified.

Results

A total of 208 patients could be included with complete data sets. The mean age was 81.1 ± 10.0 years. Overall, 37% of the patients showed symptoms of BCIS. In comparison to BCIS (−) patients there was a significantly higher rate of cardiovascular complications (27.3% vs. 13.7%, p = 0.016) and a higher in-hospital mortality rate (15.6% vs. 4.6%, p = 0.006) in BCIS (+) patients. Age, absence of a femoral borehole and ASA status were identified as statistically significant risk factors of BCIS.

Conclusion

BCIS is frequently observed and in some cases severe complication. The therapy is exclusively symptomatic; identifying preventional measures might reduce the occurrence of BCIS.
Sexueller Missbrauch Pflegebedürftiger
Authors: Moser Fabian , Schütz Leonhard H. , Teubner Christian , Lahmann Nils , Kuhlmey Adelheid , Suhr Ralf
Published: January 2021

Hintergrund

Gewalt gegen pflegebedürftige ältere Menschen ist häufig. Hausärzte/-ärztinnen können bei der Prävention von Gewalt eine Rolle spielen. Insbesondere sexualisierte Gewalt ist stark tabuisiert und wenig untersucht.

Ziel der Arbeit

Ziel dieser Arbeit ist es, die Einstellung von Hausärzten/-ärztinnen zu ihrer Verantwortung bei sexuellem Missbrauch pflegebedürftiger Patienten/Patientinnen zu untersuchen. Zugleich sollen die subjektive Sicherheit hinsichtlich des Vorgehens bei einem Missbrauchsverdacht sowie die Fortbildungsinteressen von Hausärzten/-ärztinnen zum Thema erhoben werden.

Material und Methoden

In einer Querschnittsstudie wurden 1700 Hausärzte/-ärztinnen in Deutschland zwischen September und November 2016 schriftlich befragt. Fragebogen von 302 Ärzten/Ärztinnen konnten ausgewertet werden.

Ergebnisse

Die Unsicherheit hinsichtlich des weiteren Vorgehens bei Verdacht auf sexuellen Missbrauch von pflegebedürftigen Patienten/Patientinnen ist groß. Nahezu alle Befragten sehen es als Teil der ärztlichen Verantwortung, bei sexuellem Missbrauch pflegebedürftiger Patienten/Patientinnen zu intervenieren. Hauptsächliches Fortbildungsinteresse besteht zur Differenzialdiagnose des sexuellen Missbrauchs sowie zum richtigen Vorgehen im Verdachtsfall.

Schlussfolgerung

Fortbildungen, insbesondere zu den Anzeichen sexueller Gewalt gegen Pflegebedürftige, können einen Beitrag leisten, die Handlungssicherheit von Hausärzten/-ärztinnen zu stärken und ihre Bereitschaft zur Prävention zu erhöhen.
Effect of corpus callosum agenesis on the language network in children and adolescents
Authors: Bartha-Doering Lisa , Schwartz Ernst , Kollndorfer Kathrin , Fischmeister Florian Ph. S. , Novak Astrid , Langs Georg , Werneck Harald , Prayer Daniela , Seidl Rainer , Kasprian Gregor
Published: January 2021

The present study is interested in the role of the corpus callosum in the development of the language network. We, therefore, investigated language abilities and the language network using task-based fMRI in three cases of complete agenesis of the corpus callosum (ACC), three cases of partial ACC and six controls. Although the children with complete ACC revealed impaired functions in specific language domains, no child with partial ACC showed a test score below average. As a group, ACC children performed significantly worse than healthy controls in verbal fluency and naming. Furthermore, whole-brain ROI-to-ROI connectivity analyses revealed reduced intrahemispheric and right intrahemispheric functional connectivity in ACC patients as compared to controls. In addition, stronger functional connectivity between left and right temporal areas was associated with better language abilities in the ACC group. In healthy controls, no association between language abilities and connectivity was found. Our results show that ACC is associated not only with less interhemispheric, but also with less right intrahemispheric language network connectivity in line with reduced verbal abilities. The present study, thus, supports the excitatory role of the corpus callosum in functional language network connectivity and language abilities.
Human olfactory dysfunction: causes and consequences
Authors: Schäfer Laura , Schriever Valentin A. , Croy Ilona
Published: January 2021

The sense of smell essentially contributes to social communication, guides nutrition behaviour and elicits avoidance towards environmental hazards. Olfactory smell impairment may hence entail severe consequences for affected individuals. Compared with sensory loss in other modalities, reduced olfactory function is often unnoticed by those affected and diagnosed late. Those patients seeking help frequently suffer from long-term impairments resulting in reduced well-being and quality of life. The current review provides an overview of aetiology, prevalence and specifics of diagnostics in acquired and congenital olfactory loss and focusses on short- and long-term consequences. Compensation strategies are elaborated, and treatment options are mentioned. Individual characteristics associated with the development of serious mental health impairment are discussed in order to help practitioners identifying populations at risk.
EU-US Relations: Reinventing the Transatlantic Agenda
Authors: Blockmans Steven
Published: January 2021

With Joe Biden’s victory, there is at least a four-year window to revive ‘an alliance of democracies’, face up to authoritarian powers and closed economies that exploit the openness on which American and European societies are built, and shape those parts of multilateralism that serve transatlantic interests.
Transatlantic Trade Dispute: Solution for Airbus-Boeing Under Biden?
Authors: Wittig Stephan
Published: January 2021

With the widening of the US measures three weeks before the end of the Trump administration, it falls on Biden to find a solution for the Airbus-Boeing dispute.