bluuebunny/crossref_metadata_2025 huggingface dataset:
Different Mismatch Concepts for Magnetic Resonance Imaging–Guided Thrombolysis in Unknown Onset Stroke
Authors: Scheldeman Lauranne , Wouters Anke , Boutitie Florent , Dupont Patrick , Christensen Soren , Cheng Bastian , Ebinger Martin , Endres Matthias , Fiebach Jochen B. , Gerloff Christian , Muir Keith W. , Nighoghossian Norbert , Pedraza Salvador , Simonsen Claus Z. , Thijs Vincent , Thomalla Götz , Lemmens Robin ,   for the WAKE‐UP Investigators
Published: March 2020

Objective

To explore the prevalence of the perfusion‐weighted imaging (PWI)–diffusion‐weighted imaging (DWI) mismatch and response to intravenous thrombolysis in the WAKE‐UP trial.

Methods

We performed a prespecified post hoc analysis of ischemic stroke patients screened for DWI–fluid‐attenuated inversion recovery (FLAIR) mismatch in WAKE‐UP who underwent PWI. We defined PWI‐DWI mismatch as ischemic core volume < 70ml, mismatch volume > 10ml, and mismatch ratio > 1.2. Primary efficacy end point was a modified Rankin Scale score of 0–1 at 90 days, adjusted for age and symptom severity.

Results

Of 1,362 magnetic resonance imaging–screened patients, 431 underwent PWI. Of these, 57 (13%) had a double mismatch, 151 (35%) only a DWI‐FLAIR mismatch, and 54 (13%) only a PWI‐DWI mismatch. DWI‐FLAIR mismatch was more prevalent than PWI‐DWI mismatch (48%, 95% confidence interval [CI] = 43–53% vs 26%, 95% CI = 22–30%; p < 0.0001). Screening for either one of the mismatch profiles resulted in a yield of 61% (95% CI = 56–65%). Prevalence of PWI‐DWI mismatch was similar in patients with (27%) or without (24%) DWI‐FLAIR mismatch (p = 0.52). In an exploratory analysis in the small subgroup of 208 randomized patients with PWI, PWI‐DWI mismatch status did not modify the treatment response (p for interaction = 0.73).

Interpretation

Evaluating both the DWI‐FLAIR and PWI‐DWI mismatch patterns in patients with unknown time of stroke onset will result in the highest yield of thrombolysis treatment. The treatment benefit of alteplase in patients with a DWI‐FLAIR mismatch seems to be driven not merely by the presence of a PWI‐DWI mismatch, although this analysis was underpowered. ANN NEUROL 2020;87:931–938
Comparison of complex modeling strategies for prediction of a binary outcome based on a few, highly correlated predictors
Authors: Chiabudini Marco , Schumacher Martin , Graf Erika
Published: March 2020

Motivated by a clinical prediction problem, a simulation study was performed to compare different approaches for building risk prediction models. Robust prediction models for hospital survival in patients with acute heart failure were to be derived from three highly correlated blood parameters measured up to four times, with predictive ability having explicit priority over interpretability. Methods that relied only on the original predictors were compared with methods using an expanded predictor space including transformations and interactions. Predictors were simulated as transformations and combinations of multivariate normal variables which were fitted to the partly skewed and bimodally distributed original data in such a way that the simulated data mimicked the original covariate structure. Different penalized versions of logistic regression as well as random forests and generalized additive models were investigated using classical logistic regression as a benchmark. Their performance was assessed based on measures of predictive accuracy, model discrimination, and model calibration. Three different scenarios using different subsets of the original data with different numbers of observations and events per variable were investigated. In the investigated setting, where a risk prediction model should be based on a small set of highly correlated and interconnected predictors, Elastic Net and also Ridge logistic regression showed good performance compared to their competitors, while other methods did not lead to substantial improvements or even performed worse than standard logistic regression. Our work demonstrates how simulation studies that mimic relevant features of a specific data set can support the choice of a good modeling strategy.
Consensus on definition and severity grading of lymphatic complications after kidney transplantation
Authors: Mehrabi A , Kulu Y , Sabagh M , Khajeh E , Mohammadi S , Ghamarnejad O , Golriz M , Morath C , Bechstein W O , Berlakovich G A , Demartines N , Duran M , Fischer L , Gürke L , Klempnauer J , Königsrainer A , Lang H , Neumann U P , Pascher A , Paul A , Pisarski P , Pratschke J , Schneeberger S , Settmacher U , Viebahn R , Wirth M , Wullich B , Zeier M , Büchler M W
Published: March 2020

Background

The incidence of lymphatic complications after kidney transplantation varies considerably in the literature. This is partly because a universally accepted definition has not been established. This study aimed to propose an acceptable definition and severity grading system for lymphatic complications based on their management strategy.

Methods

Relevant literature published in MEDLINE and Web of Science was searched systematically. A consensus for definition and a severity grading was then sought between 20 high-volume transplant centres.

Results

Lymphorrhoea/lymphocele was defined in 32 of 87 included studies. Sixty-three articles explained how lymphatic complications were managed, but none graded their severity. The proposed definition of lymphorrhoea was leakage of more than 50 ml fluid (not urine, blood or pus) per day from the drain, or the drain site after removal of the drain, for more than 1 week after kidney transplantation. The proposed definition of lymphocele was a fluid collection of any size near to the transplanted kidney, after urinoma, haematoma and abscess have been excluded. Grade A lymphatic complications have a minor and/or non-invasive impact on the clinical management of the patient; grade B complications require non-surgical intervention; and grade C complications require invasive surgical intervention.

Conclusion

A clear definition and severity grading for lymphatic complications after kidney transplantation was agreed. The proposed definitions should allow better comparisons between studies.
The role of peroxisomes in xylose alcoholic fermentation in the engineered Saccharomyces cerevisiae
Authors: Dzanaeva Ljubov , Kruk Barbara , Ruchala Justyna , Nielsen Jens , Sibirny Andriy , Dmytruk Kostyantyn
Published: March 2020

Xylose is a second‐most abounded sugar after glucose in lignocellulosic hydrolysates and should be efficiently fermented for economically viable second‐generation ethanol production. Despite significant progress in metabolic and evolutionary engineering, xylose fermentation rate of recombinant Saccharomyces cerevisiae remains lower than that for glucose. Our recent study demonstrated that peroxisome‐deficient cells of yeast Ogataea polymorpha showed a decrease in ethanol production from xylose. In this work, we have studied the role of peroxisomes in xylose alcoholic fermentation in the engineered xylose‐utilizing strain of S. cerevisiae. It was shown that peroxisome‐less pex3Δ mutant possessed 1.5‐fold decrease of ethanol production from xylose. We hypothesized that peroxisomal catalase Cta1 may have importance for hydrogen peroxide, the important component of reactive oxygen species, detoxification during xylose alcoholic fermentation. It was clearly shown that CTA1 deletion impaired ethanol production from xylose. It was found that enhancing the peroxisome population by modulation the peroxisomal biogenesis by overexpression of PEX34 activates xylose alcoholic fermentation.
Nanoemulsions of Acai Oil: Physicochemical Characterization for the Topical Delivery of Antifungal Drugs
Authors: Loureiro Contente Denise Maria , Pereira Rayanne Rocha , Rodrigues Antonio Manoel Cruz , da Silva Edilene Oliveira , Ribeiro-Costa Roseane Maria , Carrera Silva-Júnior José Otavio
Published: March 2020

Nanoemulsion‐based acai oil was obtained by the phase inversion method using two nonionic surfactants, Ceteareth‐20 (Brij™ CS20) and polyoxyethylene‐hydrogenated castor oil (Croduret™ 50), with the concentration of each surfactant varying from 7 to 10 %. The formulation with 10 % Brij CS20 presented the best values for droplet size, zeta potential, and polydispersity index (PDI). Ketoconazole was incorporated into this formulation, with an encapsulation efficiency of 98.31 % and equally good zeta potential, droplet size, and PDI, and spherical shape when observed by transmission electron microscopy. Overall, nanoemulsions of acai oil proved to be a good vehicle for imidazole antifungals such as ketoconazole.
Current‐Induced Ion Concentration Polarization at a Perfect Ion‐Exchange Patch in an Infinite Insulating Wall
Authors: Bondarenko Mykola P. , Bruening Merlin L. , Yaroshchuk Andriy E.
Published: March 2020

This research examines, theoretically, the ion concentration polarization, ion fluxes, and electrostatic fields near an ion‐exchange patch in the wall of an electrified fluidic channel. These phenomena are important in related microfluidic ion‐preconcentration systems. Under an electric field, counter ions enter the ion‐exchange patch at one side and leave at the other, with salt depletion occurring near the entrance and accumulation near the exit. The high patch conductivity and the concentration profiles lead to local electric field perturbations that may facilitate preconcentration. This study includes analytical expressions of ion concentrations and electrochemical potentials at small to moderate electric fields, as well as numerical simulations. Additionally, a simple matrix of polynomial coefficients (obtained via fitting of numerical data) enables analytical calculation of the two‐dimensional concentration profiles at all electric fields within the range investigated in the numerical simulations. This is possible because a single dimensionless parameter controls this problem.
Data‐driven nonlinear chemical process fault diagnosis based on hierarchical representation learning
Authors: Wang Yang , Jiang Qingchao
Published: March 2020

Representation extraction is crucial in data‐driven process monitoring, and deep neural network (DNN) is an efficient tool for extracting representations from considerable process data. This study proposes a hierarchical representation learning (HRL) method that integrates the deep belief neural (DBN) network and support vector data description (SVDD) for efficient nonlinear chemical process fault diagnosis. First, hierarchical representations containing meaningful process information are generated through a DBN network by utilizing generally massive normal operating process data. Second, an SVDD‐based decision‐making system is constructed using generally small‐sized faulty data. Three experimental studies are then conducted. A comparison of results with those of several state‐of‐the‐art methods reveal the suitability of the HRL method for process monitoring due to its two main advantages. First, DNN has a superior representative ability and generates representations with richer process information than conventional data‐driven methods. Second, the HRL method utilizes available process data and is suitable for practical conditions in which considerable normal operating data but limited small‐sized faulty data are available.
Biochemical Characterization of an Arginine 2,3‐Aminomutase with Dual Substrate Specificity
Authors: Zhao Junfeng , Ji Wenjuan , Ji Xinjian , Zhang Qi
Published: March 2020

Summary of main observation and conclusion

The radical S‐adenosylmethionine (SAM) aminomutases represent an important pathway for the biosynthesis of β‐amino acids. In this study, we report biochemical characterization of BlsG involved in blasticidin S biosynthesis as a radical SAM arginine 2,3‐aminomutase. We showed that BlsG acts on both L‐arginine and L‐lysine with comparable catalytic efficiencies. Similar dual substrate specificity was also observed for the lysine 2,3‐aminomutase from Escherichia coli (LAMEC). The catalytic efficiency of LAMEC is similar to that of BlsG, but is significantly lower than that of the enzyme from Clostridium subterminale (LAMCS), which acts only on L‐lysine rather than on L‐arginine. Moreover, we showed that enzymes can be grouped into two major phylogenetic clades, each corresponding to a certain C3 stereochemistry of the β‐amino acid product. Our study expands the radical SAM aminomutase members and provides insights into enzyme evolution, supporting a trade‐off between substrate promiscuity and catalytic efficiency.
Retinal topography and spectral sensitivity of the Port Jackson shark (Heterodontus portusjacksoni)
Authors: Peel Lauren R. , Collin Shaun P. , Hart Nathan S.
Published: March 2020

In this study, we investigated the visual system of the Port Jackson shark Heterodontus portusjacksoni, a shallow‐dwelling benthic species and generalist predator endemic to the temperate coastal waters around southern Australia. Measurements of retinal spectral sensitivity in juvenile sharks, made using single flash and heterochromatic flicker photometry under conditions of dark‐ or light‐adaptation, indicated a peak sensitivity at around 500 nm, with no evidence of a spectral shift with increasing levels of light adaptation. Histological sections of the retina revealed a heavily rod dominated retina containing only a few small cell profiles in the photoreceptor layer that might represent a sparse cone population or may be immature rods. Assessment of retinal topography in juvenile sharks indicated the presence of a distinct specialisation for increased visual spatial acuity in the form of a horizontal streak of higher rod photoreceptor (~80,000 rods mm−2) and ganglion cell (~1,800 cells mm−2) densities across the horizontal meridian of the eye. This specialization would be adaptive for panoramic sampling of the part of the visual field corresponding to the substrate‐water interface and remove the need for H. portusjacksoni to move its eyes extensively when resting on the sea floor. The estimated upper limit of spatial resolving power in juvenile H. portusjacksoni was 3.14 cycles deg−1, which is at the lower end of values measured in elasmobranchs. Taken together, these results suggest that the retina of H. portusjacksoni is well adapted for nocturnal vision.
Novel data‐placement scheme for improving the data locality of Hadoop in heterogeneous environments
Authors: Bae Minho , Yeo Sangho , Park Gyudong , Oh Sangyoon
Published: March 2020

To address the challenging needs of high‐performance big data processing, parallel‐distributed frameworks such as Hadoop are being utilized extensively. However, in heterogeneous environments, the performance of Hadoop clusters is below par. This is primarily because the blocks of the clusters are allocated equally to all nodes without regard to differences in the capability of individual nodes. This results in reduced data locality. Thus, a new data‐placement scheme that enhances data locality is required for Hadoop in heterogeneous environments. This article proposes a new data placement scheme that preserves the same degree of data locality in heterogeneous environments as that of the standard Hadoop, with only a small amount of replicated data. In the proposed scheme, only those blocks with the highest probability of being accessed remotely are selected and replicated. The results of experiments conducted indicate that the proposed scheme incurs only a 20% disk space overhead and has virtually the same data locality ratio as the standard Hadoop, which has a replication factor of three and 200% disk space overhead.
Identification and characterization of novel penta‐podded genotypes in the cultivated lentil
Authors: Mishra Gyan P. , Dikshit Harsh K. , Kumari Jyoti , Priti  , Tripathi Kuldeep , Devi Jyoti , Aski Muraleedhar , Mehra Reena , Sarker Ashutosh , Kumar Shiv
Published: March 2020

Our study reports the identification of two novel multi‐flowering (MF) genotypes, PMF‐1 and PMF‐2, in cultivated lentil (Lens culinaris Medik.), stably forming up to five flowers per peduncle (FPP) on I2 nodes at multiple flowering nodes (beyond the ninth node). These genotypes were identified from the ICARDA (International Centre for Agricultural Research in the Dry Areas) nursery received from Lebanon. Stable MF was observed under open field conditions at IARI (the Indian Agricultural Research Institute), New Delhi, India, during the year 2017–2018 and 2018–2019, and also in the partially controlled glasshouse conditions. In addition, we identified two more stable genotypes, namely, PMF‐3 and PMF‐4, producing four flowers and a genotype, ILL7663, producing only one to two flowers at multiple flowering nodes under normal growing conditions. It is speculated that the expression of the MF trait is the result of interaction between specific genetic loci with the environmental conditions during the bud formation stage in the identified lines. The possibility of the presence of various genes known in other crops like pea (Pisum sativum L.) and chickpea (Cicer arietinum L.), along with various environmental factors regulating the MF expression, is also worked out for lentil. Further, these novel resources can be used for genetic studies aimed to identify the locus regulating the MF trait in lentil.
Weight suppression and weight maintenance following treatment of anorexia nervosa
Authors: Uniacke Blair , Attia Evelyn , Kaplan Allan , Walsh B. Timothy
Published: March 2020

Objective

The value of weight suppression (WS) in predicting the course of anorexia nervosa (AN) is uncertain. The objective of this study was to determine, using data from a previously published study, whether patients who remain weight suppressed following restoration to a minimally normal weight are at greater risk for relapse.

Method

Following weight restoration, 93 women with AN were randomly assigned to receive fluoxetine or placebo along with cognitive behavioral therapy for 1 year. WS (highest adult weight minus current weight), body mass index (BMI), and their interaction were assessed as predictors of change in weight over the first 28 days, of successful weight maintenance at 6 and 12 months, and of time to relapse.

Results

Neither WS nor its interaction with BMI predicted successful weight maintenance at 6 and 12 months, time to relapse, or weight change over the first 28 days following discharge.

Discussion

This study found that WS does not substantially impact the likelihood of successful weight maintenance or time to relapse following restoration to a minimally normal weight in AN.
Targeting pulmonary capillary permeability to reduce lung congestion in heart failure: a randomized, controlled pilot trial
Authors: Stewart Glenn M. , Johnson Bruce D. , Sprecher Dennis L. , Reddy Yogesh N.V. , Obokata Masaru , Goldsmith Steven , Bart Brad , Oughton Anna , Fillmore Christina , Behm David J. , Borlaug Barry A.
Published: March 2020

Aims

Lung congestion in patients with heart failure (HF) has traditionally been treated using interventions that reduce pulmonary capillary hydrostatic pressure. The transient receptor potential vanilloid 4 (TRPV4) channel regulates fluid transit across the pulmonary capillary‐interface, and represents a novel target to reduce lung water, independent of pulmonary capillary hypertension. This pilot study examined the safety and potential efficacy of TRPV4 blockade as a novel treatment for
HF.

Methods and results

In this randomized, double‐blind, placebo‐controlled crossover pilot trial, 11 subjects with chronic, compensated HF were treated with a novel TRPV4 antagonist (GSK2798745) or placebo. The primary endpoint was lung diffusing capacity for carbon monoxide (DLCO) after 7 days of treatment with GSK2798745 as compared to placebo. Secondary endpoints included additional diffusion parameters, spirometry and safety assessments. Compared to placebo, treatment with GSK2798745 resulted in a trend to improvement in DLCO (placebo: −0.336 mL/mmHg/min; GSK2798745: +0.458 mL/mmHg/min; treatment difference: +0.793 mL/mmHg/min; 95% confidence interval: −0.925 to 2.512) that was not statistically significant. GSK2798745 was well‐tolerated with no serious adverse events.

Conclusion

In this pilot trial, GSK2798745 was found to be safe and well‐tolerated, with a trend toward improved gas transfer. Further investigation is warranted in larger studies to determine whether treatment with TRPV4 antagonists or alternative treatments targeting capillary permeability might be effective to improve lung congestion, pulmonary gas transfer and clinical status in patients with acute or chronic
HF.
Natural Melanin Nanoparticle‐decorated Screen‐printed Carbon Electrode: Performance Test for Amperometric Determination of Hexavalent Chromium as Model Trace
Authors: Kaleli‐Can Gizem , Ozlu Busra , Özgüzar Hatice Ferda , Onal‐Ulusoy Baran , Kabay Gözde , Eom Taesik , Shim Bong Sup , Mutlu Mehmet
Published: March 2020

A biosensor was prepared with natural melanin nanoparticles (MNP) decorated on a screen‐printed carbon electrode (SPCE). Hexavalent chromium was selected as a well‐known heavy metal ion to be detected for testing the performance of novel biosensor. Natural MNP was extracted from cuttlefish (Sepia officinalis) ink. Surface decoration of SPCEs with MNP was performed by two different methods. The first one was layer‐by‐layer assembly (LBL‐A) for different cycle times(n). In the second one, plasma treatment of SPCE incorporated with evaporation‐induced self‐assembly (EI‐SA) techniques including different incubation times in MNP solutions. The performance of both modified SPCEs were tested for amperometric detection of Cr(VI) in various water samples, and peak reduction of Cr(VI) was determined at 0.33 V. Amperometric results showed wide linear ranges of 0.1–2 μM and 0.1–5 μM of Cr(VI) for SPCEs modified with 14n‐LBL‐A and 12h‐EI‐SA, respectively. The sensitivities of SPCEs modified with 14n‐LBL‐A and 12h‐EI‐SA techniques were 0.27 μA μM−1 and 0.52 μA μM−1, respectively. In addition, both modified SPCEs selectively detected Cr(VI) in a model aqueous system composed of certain other heavy metals and minerals, and tap and lake water samples. The LOD and LOQ values for 12h‐EI‐SA were 0.03 μM and 0.1 μM, respectively. This showed that MNP‐modified‐SPCEs generated via EI‐SA techniques have the potential to be an alternative to conventional detection methods such as ICP‐MS.
Geochemistry of last glacial lacustrine sediments in core region of the North American Monsoon, northwest Mexico: Source of biomass, hydrological balance and chemical weathering
Authors: Quiroz‐Jiménez Jesús D. , Roy Priyadarsi D.
Published: March 2020

Carbon isotopes (δ13Corg) in biomass, carbon (δ13Ccarb) and oxygen (δ18Ocarb) isotopes in authigenic calcite and estimations of chemical weathering of siliciclastic minerals (chemical index of alteration [CIA] and plagioclase index of alteration [PIA]) in lacustrine sediments of the ephemeral Babicora Basin, located within the core region of the North American Monsoon at northwest Mexico, helped to evaluate the source of biomass, variations in hydrological balance and sediment–water interactions during three different marine isotope stages (late MIS 4: ≥65.4–59.5 cal ka BP, MIS 3: ~59.5–28 cal ka BP and MIS 2: ~28–15 cal ka BP) of the last glacial. Comparisons of δ13Corg with previously published records of C/N, diatom abundance and fossil pollen indicate that biomass of the late MIS 4 was sourced from C3 aquatic and land plants. During the MIS 3, the C3 plants continued to contribute biomass and the influence of lacustrine algae, however, increased during its later part. The water column experienced more evaporation compared to two other MIS stages and sediment–water interactions varied between minimal to moderate (CIA: 49–68). Sediments were transported for longer distances during the wetter intervals and eroded from nearby lithologies during the drier intervals. Interactions between sediments and inflowing water (CIA: 59–65) remained homogeneous during the MIS 2. Source of the biomass, however, was variable. Lacustrine algae and C3 land plants contributed biomass during the early MIS 2 (~28–19 cal ka BP) and contributions from the C4 and CAM vegetation slightly increased towards the deglaciation (~19–15 cal ka BP).
Two‐State Reactivity: Personal Recounting of its Conception and Future Prospects
Authors: Shaik Sason
Published: March 2020

This essay tells the story of the conception of the Two‐State Reactivity (TSR) notion. Since scientific career is part of life's flow, the story blends sub‐stories of scientific colleagues and events. This is also a story of a beguiling paradigm, which has started from a puzzling reactivity of the diatomic oxidant FeO+, has continued to larger oxidants, like the active species of Cytochrome P450 and of nonheme enzymes, and its extension to reductive processes. Finally, the essay discusses prospects of experimental probing of the reactive spin‐state, and of the transition state constitution for these reactions by means of tunneling‐augmented kinetic isotope effects.
Catalytically Active Iron(IV)oxo Species Based on a Bis(pyridinyl)phenanthrolinylmethane
Authors: Hüppe Henrika M. , Keisers Kristina , Fink Fabian , Mürtz Sonja D. , Hoffmann Alexander , Iffland Linda , Apfel Ulf‐Peter , Herres‐Pawlis Sonja
Published: March 2020

Starting from the mononuclear iron(II) complex [Fe(MeCPy2Phen)(MeCN)2]2+, a non‐heme Fe(IV)oxo complex [FeIV(MeCPy2Phen)O]2+ was synthesized via oxidation with meta‐chloroperoxybenzoic acid (mCPBA). The Fe(IV)oxo complex was characterized using UV/Vis spectroscopy, Mößbauer spectroscopy and CSI mass spectrometry. The ability of this species to oxidize C−H bonds was tested with cyclohexane and adamantane as model substrates. For cyclohexane, an alcohol‐to‐ketone ratio (A/K) of 6.1 and efficiencies up to 55 were obtained. In case of adamantane, the ratio of tertiary over secondary products (3°/2°) is 38. In combination, this indicates the iron(IV)oxo complex being the catalytically active species.
Novel [1,2,4]triazolo[3,4‐b][1,3,4]thiadiazine derivatives embedded with benzimidazole moiety as potent antioxidants
Authors: Sathyanarayana Reshma , Poojary Boja , Chandrashekarappa Revanasiddappa B. , Kumar Hemanth , Merugumolu Vijay K.
Published: March 2020

Fourteen novel [1,2,4]triazolo[3,4‐b][1,3,4]thiadiazine derivatives bearing benzimidazole moiety (7a‐n) have been synthesized using the one‐pot nitro reductive cyclization method. All the synthesized compounds were confirmed by 1H nuclear magnetic resonance (1H NMR), 13C NMR, fourier‐transform infrared (FT‐IR), mass spectrum, and elemental analyses. All the title compounds were subjected to in vitro antioxidant activity. The free radical scavenging activity of the compounds was examined using DPPH, nitric oxide, and superoxide radical scavenging methods. The results demonstrated that compound 3‐(2‐(3,4‐dimethoxyphenyl)‐1‐propyl‐1H‐benzo[d]imidazol‐5‐yl)‐6‐4‐tolyl‐7H‐[1,2,4]triazolo[3,4‐b][1,3,4]thiadiazine (7c) was potent in scavenging both DPPH and nitric oxide radical with IC50 values of 13.57 and 18.55 μg/ml when compared to the standard with IC50 values of 23.75 and 23.14 μg/ml, respectively, which was due to the presence of electron‐donating groups. The activity was found to decline when electron‐donating groups were replaced by electron‐withdrawing groups. Moderate scavenging activity was observed for the superoxide radical. Structure activity relationship and physiochemical properties were studied for all the derivatives.
Coupling effects of high temperature and pressure on the decomposition mechanisms of 1,1‐diamino‐2,2‐dinitroehethe crystal: Ab initio molecular dynamics simulations
Authors: Xiong Guolin , Zhu Weihua
Published: March 2020

Recently, Dreger et al. experimentally investigated the phase diagram and decomposition of 1,1‐diamino‐2,2‐dinitroethene (FOX‐7) single crystal compressed hydrostatically up to 10 GPa and heated over a range of 293–750 K (J. Phys. Chem. C 2016, 120, 11092–11098). As a continuation, we performed ab initio molecular dynamic simulations to study the initiation mechanisms and subsequent decomposition of FOX‐7 at a temperature of 504 K (initial decomposition temperature) coupled with a pressure of 1–5 GPa, 604 K at 5GPa, and 704 K at 5 GPa. However, our two compressing ways are different: the former is static hydrostatical compression, while our way is dynamic compression. Our results indicate that the initial decomposition mechanism was dependent on the temperature but independent of the pressure. The initial decomposition step is the bimolecular intermolecular hydrogen transfer. The subsequent decomposition of FOX‐7 is sensitive to both the temperature and pressure. At 504 K, the decomposition of FOX‐7 was accelerated from 1 to 2 GPa and from 3 to 5 GPa but decelerated from 2 to 3 GPa. The temperature exhibits a positive effect on the decomposition. Overall, the temperature and pressure have great cooperative effects on the decomposition of FOX‐7. Our study may provide new insight into understanding the initial mechanisms and decomposition reactions of energetic materials at relatively low temperatures coupled with different pressures in atomic detail.
Retracted: Tb(III)‐based coordination polymer for detection of Cu(II) ion and treatment effect on Alzheimer's disease by reducing inflammatory response and inflammatory cytokines release
Authors: Song Rui‐Qin , Ma Xia , Song Guang‐Yun
Published: March 2020

In the present study, we use a carbazole‐functionalized ligand 4,4′‐(9H‐carbazole‐2,7‐diyl)dibenzoic acid (H2cdda) as the organic linker to react with Tb(NO3)3·6H2O to afford a novel coordination polymer, whose chemical formula is [Tb4(cdda)6(H2O)4](DMF) (1). Because of its high emission intensity and uncoordinated N donor sites on its framework, 1 was studied as the sensor for Cu2+ ions, which showed high sensitivity and selectivity. The luminescence of 1 could be almost completely quenched in a solution of N,N‐dimethylformamide (DMF) with a detection limit of 10−6 mol/L and a Ksv (quenching coefficient of the metal ion) of 2,021.8 M−1. Furthermore, the protective effect of the compound on Alzheimer's disease was evaluated. First, the inflammatory response in the neurons was determined via revere‐transcriptase polymerase chain reaction, as reflected by the changes in nf‐κb and akt relative expressions. Then, the amount of inflammatory cytokines was evaluated by enzyme‐linked immunosorbent assay.
Pharmacokinetics and Safety of the Novel Selective Progesterone Receptor Modulator Vilaprisan in Participants With Renal Impairment
Authors: Schultze‐Mosgau Marcus‐Hillert , Lasseter Kenneth C. , Marbury Thomas , Loewen Stephanie , Riecke Kai
Published: March 2020

This open label, parallel‐group study investigated the pharmacokinetics and safety of a single oral 2‐mg dose of the novel selective progesterone receptor modulator vilaprisan in participants with impaired renal function compared with age, weight, sex, and race matched controls with normal renal function. Systemic exposure (area under the plasma concentration–time curve [AUC]) and maximum observed concentrations (Cmax) were compared among 9 participants with moderate renal impairment and matched controls by ANOVA. An additional 4 participants, each with severe renal impairment or normal renal function, contributed to a linear regression analysis exploring any monotone relationship between individual variables and the estimated glomerular filtration rate. The geometric mean AUC was increased by a factor of 1.35 in renally impaired participants compared to normal controls (not statistically significant: least squares mean, 1.346; 90% confidence interval, 0.918‐1.973). Cmax was similar in participants with moderate renal impairment and normal renal function (least squares mean, 1.026; 90% confidence interval, 0.779‐1.351). Considering the overall variability, there was no correlation between renal function (estimated glomerular filtration rate) and Cmax or AUC of vilaprisan. Single oral administration of vilaprisan 2 mg was well tolerated by all participants, both men and women and irrespective of renal function. The incidence of treatment‐emergent adverse events was similar across all groups. Results from this study do not indicate that a dose adjustment will be necessary for vilaprisan when treating patients up to moderate renal impairment.
Efforts of diversity and inclusion, cultural competency, and equity in the genetic counseling profession: A snapshot and reflection
Authors: Channaoui Nadine , Bui Kara , Mittman Ilana
Published: March 2020

Like its peer health professions, the genetic counseling field recognizes the need for and value of diversity, inclusion, cultural competency, and equity (DICE). However, despite decades of diversity initiatives, minimal gains in the percentage of genetic counselors with minority identities have been realized. In order to gather information about DICE efforts, two surveys were created and distributed to genetic service providers, trainees, and genetic counseling program faculty yielding a total of 76 responses. Additionally, a literature scan was performed to gain an understanding of past and ongoing DICE efforts in the career. Three emerging domains resulted from quantitative and qualitative analysis of the submitted data: (1) Categories of DICE Projects, (2) Parties Carrying Out DICE Projects, and (3) What is Missing? Overall, inclusion efforts are notably underrepresented among DICE projects. Also, DICE efforts are generally under‐supported, unfunded, and under‐recognized as work‐related responsibilities. To enhance DICE within the genetic counseling profession, we recommend developing additional research and projects focused on career inclusion and equity, implementing policies requiring DICE training for leaders within the field, encouraging project evaluation and outcomes dissemination, and creating a well‐maintained web‐based centralized repository for DICE resources.
Genetic counseling education at the undergraduate level: An outreach initiative to promote professional recruitment and support workforce development
Authors: Neogi Arpita , Kumar Jeevan , Guan Yue , Parani Madasamy
Published: March 2020

As in many other countries, the field of genetic counseling is in its initial stages of development in India, where there are efforts to streamline the profession and to implement graduate‐level training programs. We implemented an elective course on genetic counseling at the undergraduate level in a private university in India to assess students’ interest, to provide early exposure for students interested in pursuing the career, and to aid recruitment. To assess satisfaction with the course and recruitment outcomes, we sent a course evaluation survey to 332 students and received 134 responses. Familiarity with genetic counseling topics increased significantly after completing the course. Of the 42 respondents who reported they were planning to pursue formal genetic counseling training, 21% (n = 9/42) became interested in the profession as a result of taking this course. Survey respondents who were prospective applicants to genetic counseling training programs referred mostly to the websites of the National Society of Genetic Counselors and the American Board of Genetic Counseling for information on genetic counseling and training. Barriers to entry into the field included lack of shadowing opportunities, inadequate coursework, and limited opportunities to interact with practicing genetic counselors. Respondents stated that additional case studies as well as observation of patient interactions would elucidate the role of a genetic counselor and help define the scope of the practice in India and other countries. Overall, genetic counseling education at the undergraduate level is a scalable way to improve understanding of genetic counseling topics, increase professional interest in the field, and support workforce development.
Ancestry‐specific hereditary cancer panel yields: Moving toward more personalized risk assessment
Authors: Roberts Maegan E. , Susswein Lisa R. , Janice Cheng Wanchun , Carter Natalie J. , Carter Amber C. , Klein Rachel T. , Hruska Kathleen S. , Marshall Megan L.
Published: March 2020

Healthcare disparities in genomic medicine are well described. Despite some improvements, we continue to see fewer individuals of African American, Asian, and Hispanic ancestry undergo genetic counseling and testing compared to those of European ancestry. It is well established that variant of uncertain significance (VUS) rates are higher among non‐European ancestral groups undergoing multi‐gene hereditary cancer panel testing. However, pathogenic variant (PV) yields, and genomic data in general, are often reported in aggregate and derived from cohorts largely comprised of individuals of European ancestry. We performed a retrospective review of clinical and ancestral data for individuals undergoing multi‐gene hereditary cancer panel testing to determine ancestry‐specific PV and VUS rates. An ancestry other than European was reported in 29,042/104,851 (27.7%) of individuals. Compared to Europeans (9.4%), individuals of Middle Eastern ancestry were more likely to test positive for one or more pathogenic variants (12.1%, p = .0025), while African Americans were less likely (7.9%, p < .0001). Asian and Middle Eastern individuals were most likely (34.8% and 33.2%, respectively) to receive a report with an overall classification of VUS, while individuals of Ashkenazi Jewish and European ancestry were least likely (17.1% and 20.4%, respectively). These data suggest that in addition to higher VUS rates, there may be ancestry‐specific PV yields. Providing aggregate data derived from cohorts saturated with European individuals does not adequately reflect genetic testing outcomes in minority groups, and interrogation of ancestry‐specific data is a step toward a more personalized risk assessment.
Design and synthesis of D‐π‐A fluorescent dyes based on nicotinonitrile and azobenzene derivatives
Authors: El‐Sayed Hassan A. , Moustafa Ahmed H. , Abd El‐Salam Esraa A.
Published: March 2020

Study the synthesis and fluorescent properties of a new series of D‐π‐A fluorescent dyes based on nicotinonitrile and azobenzene is the main objective for this work. Reduction with Zn/HCl, diazotization with HCl/NaNO2, and coupling using catalytic NaOH or AcONa are simple applied methods. Where, nicotinonitrile 3 was synthesized via reduction of nitro derivative 1 followed by diazotization with HCl/NaNO2 in acetic acid. The formed benzene diazonium chloride was coupled with several activated phenols, aniline, and α‐CH acids to yield the respective azo dyes 4‐11 in moderate to good yield. Dyes 11a‐d subjected to intermolecular cyclization with hydrazine hydrate resulted in pyrazole dyes 12‐15 in moderate yield. Dyes containing pyrazole moiety or electron‐withdrawing groups at the sixth position of pyridine nucleus exhibit stronger blue‐green emission (λfl.max = 503, 507, 500, 501, 502, 493, and 514 nm) than that of the rest of compounds.
Radiosynthesis of novel N‐18F‐labeled 18F‐FHex‐α‐l‐Glu and 18F‐FHex‐β‐Glu
Authors: Wen Fuhua , Liu Shaoyu , Ma Hui , Tang Ganghua
Published: March 2020

N‐18F‐labeled amino acids are important substitutes for new positron emission tomography (PET) imaging tracers complementing the deficiency of 18F‐fluorodeoxyglucose (18F‐FDG). In this work, two novel N‐6‐18F‐alkyl amino acid imaging agents, 18F‐FHex‐α‐l‐Glu and 18F‐FHex‐β‐Glu, were designed and synthesized as potential probes for PET imaging of tumors. 18F‐FHex‐α‐l‐Glu was synthesized using the precursor 6 from 18F‐F− with the yield of 16 ± 4% (n = 5, uncorrected) within about 50 minutes. The specific activity was 14.5 GBq/μmol, and the radiochemical purity was more than 95%. 18F‐FHex‐β‐Glu was synthesized using the precursor 12 based on 18F‐F− with the yield of 11 ± 3% (n = 3, uncorrected) in about 60 minutes. The specific activity was 9.1 GBq/μmol, and the radiochemical purity was more than 95%.
Role of MRI to Assess Response to Neoadjuvant Therapy for Breast Cancer
Authors: Reig Beatriu , Heacock Laura , Lewin Alana , Cho Nariya , Moy Linda
Published: March 2020

The goals of imaging after neoadjuvant therapy for breast cancer are to monitor the response to therapy and facilitate surgical planning. MRI has been found to be more accurate than mammography, ultrasound, or clinical exam in evaluating treatment response. However, MRI may both overestimate and underestimate residual disease. The accuracy of MRI is dependent on tumor morphology, histology, shrinkage pattern, and molecular subtype. Emerging MRI techniques that combine functional information such as diffusion, metabolism, and hypoxia may improve MR accuracy. In addition, machine‐learning techniques including radiomics and radiogenomics are being studied with the goal of predicting response on pretreatment imaging. This article comprehensively reviews response assessment on breast MRI and highlights areas of ongoing research.

Level of Evidence

3

Technical Efficacy Stage

3 J. MAGN. RESON. IMAGING 2020;52:1587–1606.
Proposal for International Standardization of the Use of Lung Ultrasound for Patients With COVID‐19
Authors: Soldati Gino , Smargiassi Andrea , Inchingolo Riccardo , Buonsenso Danilo , Perrone Tiziano , Briganti Domenica Federica , Perlini Stefano , Torri Elena , Mariani Alberto , Mossolani Elisa Eleonora , Tursi Francesco , Mento Federico , Demi Libertario
Published: March 2020

Growing evidence is showing the usefulness of lung ultrasound in patients with the 2019 new coronavirus disease (COVID‐19). Severe acute respiratory syndrome coronavirus 2 has now spread in almost every country in the world. In this study, we share our experience and propose a standardized approach to optimize the use of lung ultrasound in patients with COVID‐19. We focus on equipment, procedure, classification, and data sharing.
Ecosystem characteristics and environmental regulations based geospatial planning for sustainable aquaculture development
Authors: Jayanthi Marappan , Duraisamy Muthusamy , Thirumurthy Selvasekar , Samynathan Muthusamy , Kabiraj Sabyasachi , Manimaran Kuppusamy , Muralidhar Moturi
Published: March 2020

The development of unplanned shrimp aquaculture has caused many environmental issues and multiuser conflicts worldwide due to the lack of ecosystem characteristics‐based comprehensive methodology for identifying suitable areas for aquaculture development. This study was conducted to identify proper zones for P. Vannamei farming using the analytical hierarchy process‐based spatial analysis. Seventeen thematic layers were grouped into four fundamental requisite for P. vannamei aquaculture, namely, land class, water (pH, temperature, salinity, dissolved oxygen, turbidity, total ammonia nitrogen, nitrate, and phosphate), soil (pH, electrical conductivity, organic carbon, and texture), and resource availability (distance to road, source water, hatchery, and processing facility). The pairwise comparison matrix and the weighted linear combination approach were used. The suitability scores were classified on a scale from 1 (unsuitable) to 4 (most suitable). The spatial restriction rules excluded the regulated areas, including agriculture, mangroves, forest, settlements, water bodies, regions near the high tide line. The entire study area is favorable for P. vannamei culture in terms of water, soil, and infrastructure; however, land availability is restricted to 35,032 ha. Of the available area, 24,420 ha was found most suitable, and 10,603 ha was suitable for P. vannamei culture. The major water bodies, namely, the Buckingham Canal, Kandaleru River, and Penneru River, can support 34, 23, and 25% of the shrimp culture area. The final area outputs were compared with ground truth survey data and found to be consistent. The geospatial application of this methodology provides an integrated site evaluation for P. vannamei shrimp culture taking into environmental conditions and regulations.
Social influence on software piracy
Authors: Fernández‐Márquez Carlos M. , Vázquez Francisco J. , Watt Richard
Published: March 2020

In this paper, we extend the basic principles of Michel's model to a dynamical setting that allows us to study the effect of social influence on software piracy. We consider that social dynamics affect the decision‐making process in two different ways: producing a positive network externality on individual consumers' preferences for the product but at the same time providing the knowledge and ability to pirate.

We obtain that, on one hand, permeability of society accepting piracy culture has no significant effects on sales. On the other, scenarios with a positive ‘optimal’ value of piracy exist when there is a slight quality differential between originals and pirate copies. This can explain some interesting cases present in the real‐world software industry.
HONORING OUR INNOVATORS
Authors: Atwood Stephen P.
Published: March 2020

Hello and welcome to our second issue of 2020. We have a lot going on, so let's get right to it. Our cover story reveals the winners of this year's SID Honors and Awards and takes a close look at their personal histories, seeking to illuminate that rare quality that makes a truly great innovator.
A FIRST LOOK AT THE DISPLAY WEEK 2020 TECHNICAL SYMPOSIUM
Authors: Dickson Glen , Saunders Nicole
Published: March 2020

Wherever your interests take you, Display Week, SID's International Symposium, Seminar, and Exhibition is the place to be for cutting‐edge industry research. Each year, this premier gathering of researchers and technologists details all the important innovations in display and related technology for attendees. As a service to our readers—and to whet your appetite—we've highlighted noteworthy upcoming presentations.
A SPH framework for dynamic interaction between soil and rigid body system with hybrid contact method
Authors: Zhan Ling , Peng Chong , Zhang Bingyin , Wu Wei
Published: March 2020

A smoothed particle hydrodynamics (SPH) framework for three‐dimensional dynamic soil‐multibody interaction modeling is presented, where both soils and rigid bodies are discretized using SPH particles. In the framework, soils are modeled using the Drucker‐Prager model, while rigid bodies are considered with a multibody dynamics solver. A hybrid contact method suitable for three‐dimensional simulations is developed to model the soil‐body and body‐body frictionless and frictional contacts, where contact forces are calculated based on ideal plastic collision and the unit normal/tangential vectors of the actual surface. Owing to its simplicity in contact detection and accuracy in contact force calculation, the hybrid contact method can be easily incorporated into SPH. Furthermore, graphics processing unit (GPU) parallelization is utilized to improve efficiency. The presented numerical framework and the hybrid contact method are validated using several examples. Numerical results are compared with analytical solutions and results from the literature. Furthermore, two three‐dimensional simulations involving dynamic soil‐multibody interaction are included to demonstrate the application.