bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractFourteen 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

AbstractRecently, 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

AbstractIn 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

AbstractThis 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

AbstractLike 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

AbstractAs 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

AbstractHealthcare 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

AbstractStudy 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.
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 Evidence3Technical Efficacy Stage3 J. MAGN. RESON. IMAGING 2020;52:1587–1606.
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

AbstractThe 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.
A FIRST LOOK AT THE DISPLAY WEEK 2020 TECHNICAL SYMPOSIUM
Authors: Dickson Glen , Saunders Nicole 
Published: March 2020

AbstractWherever 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

SummaryA 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.
Design, implementation, and evaluation of learning algorithms for dynamic real‐time network monitoring
Authors: Mijumbi Rashid , Asthana Abhaya , Koivunen Markku , Haiyong Fu , Zhu Qinjun 
Published: March 2020

AbstractNetwork monitoring is necessary so as to ensure high reliability and availability in telecom networks. One of the main challenges posed by state‐of‐the‐art monitoring tools is the creation of network baselines. Such baselines include thresholds that can be used to determine whether monitored values (with a given context, e.g., time) represent normal network operation or not. The size and complexity of current (and future) networks make it infeasible to manually determine and set baselines for each network operator and metric, let alone adapting the thresholds to changes in network conditions. This leads to the use of default baselines and/or setting baselines only once and never changing them throughout the lifetime of network elements. This does not only cause inefficient operation but could have implications for network reliability and availability. In this paper, we present the design, implementation, and evaluation of DARN: a collection of analytics and machine learning‐based algorithms aimed at ensuring that network baselines are automatically adapted to different metric evolution. DARN has been comprehensively evaluated on a deployment with real traffic to confirm accuracy of generated baselines, a 22% improvement in accuracy due to baseline adaptation and a 72% reduction in false alarms.
Cover Image
Authors: Tam Jacqueline Chor Wing , Chan Yee Man , Tsang Shui Ying , Yau Chung In , Yeung Shuk Ying , Au Ka Ki , Chow Chun Kin 
Published: March 2020

The cover image is based on the Original Article Noninvasive prenatal paternity testing by means of SNP‐based targeted sequencing by Jacqueline Chor Wing Tam et al., https://doi.org/10.1002/pd.5595.image
Achieving indirect‐to‐direct band gap transition and enhanced photocatalytic performance in blue phosphorene through doping and strain
Authors: Wang Jiajun , Li Shengcai , Yun Fengyi , Zhang Xin , Li Qunxiang 
Published: March 2020

AbstractRecently, blue phosphorene (BP) has demonstrated great potential in the field of photocatalytic water splitting due to the ultrahigh carrier mobility. However, the practical application of BP as an efficient photocatalyst is greatly limited by its indirect band gap. In this work, we investigate the synergistic effect of substitutional doping and biaxial strain on the electronic and photocatalytic properties of BP using hybrid density functional calculations. The results show that As/Sb doping not only reduces the band gap of BP without introducing any midgap states but also turns it into direct band gap semiconductor, which can be ascribed to the p states of the dopants appearing around the band edges. For these As/Sb‐doped BP systems, the band gaps, band edge positions, and optical absorption abilities can be further tuned by applying a biaxial strain. In particular, we predict that compressive strains are more propitious for the doped systems than the tensile strains since the requirements for water splitting are satisfied, meanwhile preserving the direct band gap characteristics. Besides, our calculations also show that the band gap and the reducing and oxidizing power of multilayer BP are highly dependent on the layer thickness. These results suggest feasible modulation strategies for enabling BP to be a visible‐light‐driven photocatalyst for water splitting.