bluuebunny/crossref_metadata_2025 huggingface dataset:
Selective Expression of Chromophores in a Single Molecule: Soft Organic Crystals Exhibiting Full‐Colour Tunability and Dynamic Triplet‐Exciton Behaviours
Authors: Li Wenlang , Huang Qiuyi , Mao Zhu , Zhao Juan , Wu Huiyan , Chen Junru , Yang Zhan , Li Yang , Yang Zhiyong , Zhang Yi , Aldred Matthew P. , Chi Zhenguo
Published: December 2019

Soft luminescent materials are attractive for optoelectronic applications, however, switching dominant chromophores for property enrichment remains a challenge. Herein, we report the first case of a soft organic molecule (DOS) featuring selective expression of chromophores. In response to various external stimuli, different chromophores of DOS can take turns working through conformation changes, exhibiting full‐colour emissions peaking from 469 nm to 583 nm from ten individual single crystals. Dynamic triplet‐exciton behaviours including thermally activated delayed fluorescence (TADF), room‐temperature phosphorescence (RTP), mechanoluminescence (ML), and distinct mechano‐responsive luminescence (MRL) can all be realized. This novel designed DOS molecule provides a multifunctional platform for detection of volatile organic compounds (VOCs), multicolour dynamic displays, sensing, anticounterfeiting, and hopefully many others.
The unconscious in terror: An overview of psychoanalytic contributions to the psychology of terrorism and violent radicalization
Authors: Cohen Shuki J.
Published: December 2019

This overview provides a brief survey of the major psychoanalytic frameworks and concepts that were put forth throughout the years for understanding socio‐political violence and terrorism. In lieu of exhaustiveness, which is hindered by scope limitations, this overview maps the general ‘phylogenesis’, or the intellectual evolution and derivation of psychoanalytic theorizing about the subject, while putting more specific models within the context of the major developments (or splintering) in psychoanalytic theory that inspired or preceded them. Geared towards the English‐speaking reader, this overview attempts to undo some of the Americanocentric cultural bias that may still exist in the psychoanalytic literature in general and that of political violence in particular ‐ especially after 9/11. As such, it preferentially expounds upon theories that may be more popular outside the United States and/or have not yet been comprehensively translated to English, such as Marxist, post‐structuralist and ‘continental’ philosophical approaches to political violence. Further, since theories of political violence are arguably more prone to amnesia and to ‘reinvention of the wheel’ for a variety of reasons, this overview is slightly more detailed in describing early concepts and scholars that may still be useful in conceptualizing present‐day terrorism. The overview ends with a selective survey of innovative clinical and empirical approaches that allow for integration of psychoanalytic frameworks to flexibly understand political violence through cognitive products and primary sources.
Pre‐pregnancy dietary arsenic consumption among women in the United States
Authors: Suhl Jonathan , Conway Kristin M. , Rhoads Anthony , Langlois Peter H. , Feldkamp Marcia L. , Michalski Adrian , Romitti Paul A. ,   the National Birth Defects Prevention Study
Published: December 2019

Background

Arsenic is associated with several adverse health outcomes, including some birth defects. Although diet is the predominant route of arsenic exposure in the United States (U.S.), limited data exist regarding pre‐pregnancy dietary arsenic consumption among U.S. women.

Methods

Using data collected in the National Birth Defects Prevention Study (NBDPS), we estimated daily dietary arsenic consumption during the year before pregnancy for 10,886 mothers of nonmalformed control children delivered from 1997–2011. Responses to the NBDPS dietary assessment and food item estimates of total and inorganic arsenic were used to estimate consumption. Associations between total and inorganic arsenic consumption and selected maternal characteristics were estimated using multinomial logistic regression.

Results

Estimates of mean maternal total and inorganic dietary arsenic consumption were 14.9 and 5.2 μg/day, respectively. Several positive and inverse associations with confidence intervals that excluded the null were observed. Comparing mothers in the middle or high total arsenic consumption tertiles to those in the low tertile, we observed positive associations (odds ratios = 1.3–3.8) for maternal age (≥30 years), lower (0–8 years) or higher (>12 years) education, race/ethnicity (non‐Hispanic Black, Hispanic, other), and early pregnancy drinking with no binge episodes, and inverse associations (odds ratios = 0.4–0.8) for age (<25 years), body mass index (≥30.0 kg/m2), and early pregnancy smoking. Findings tended to be similar for inorganic arsenic consumption.

Conclusions

These contemporary estimates of pre‐pregnancy dietary arsenic consumption among U.S. women show associations between both total and inorganic dietary arsenic consumption and several maternal characteristics, improving characterization of the public health impact of this exposure.
Organic Thin‐Film Transistors Fabricated by Solution‐Processed and Low‐Temperature Condensed Hybrid Gate Dielectrics
Authors: Song Youngmin , Ha Young‐Geun
Published: December 2019

Herein, we report on the preparation of new solution‐processed and low‐temperature condensed organic–inorganic hybrid dielectric films and their electrical properties for applications in low‐power organic thin‐film transistors (OTFTs). The low‐temperature condensed hybrid dielectric films (~19 nm thick) were simply fabricated by spin coating a mixture solution of a zirconium chloride and synthesized bifunctional phosphonic acid organic reagents, followed by annealing at a relatively low temperature (~90 °C). The prepared hybrid dielectric films exhibited excellent dielectric properties (low leakage current density < 10−6 A/cm2 and high capacitance of 520 nF/cm2) as well as a smooth surface (RMS roughness <0.3 nm). Consequently, the pentacene‐based OTFTs were fabricated using these hybrid dielectrics and functioned effectively at a relatively low operating bias (−2 V) and exhibited great TFT characteristics (hole mobility: 0.3 cm2/V/s, low threshold voltage: −0.7 V, low subthreshold swing: 0.17 V/dec, on/off current ratio: 105).
Comprehensive investigation of mechanism and effective ingredients of Fangji Huangqi Tang by serum pharmacochemistry and network pharmacology
Authors: Yang Liu , Li Aiping , Chen Meng , Yan Yan , Liu Yuetao , Li Ke , Jia Jinping , Qin Xuemei
Published: December 2019

Fangji Huangqi Tang (FHT), has been reported to show effects on nephrotic syndrome, but its mechanism of action and bioactive components have not yet been determined. In this study, a method using UPLC–HRMS/MS was established for the detection and identification of the chemical constituents and metabolites absorbed into the blood. Absorbed components in serum were then used for the network pharmacology analysis to deduce the mechanism and effective components. A total of 86 compounds were identified or tentatively characterized. Based on the same instrumental conditions, 85 compounds were found in rat serum after oral administration of FHT, including 22 prototypes and 63 metabolites. Network pharmacology analysis showed that absorbed components, such as (3R)‐2′,3′,4′,7‐tetrahydroxyisoflavan, astrapterocarpan, cycloastragenol, 7,2′‐dihydroxy‐3′,4′‐dimethoxyisoflavan, astragaloside IV, astrapterocarpan glucoside and glycyrrhetinic acid, could be responsible for the pharmacological activity of nephrotic syndrome by regulating the VEGF signaling pathway, focal adhesion and MAPK signaling pathway. Furthermore, the pathway‐target network showed that the MAPK1, AKT2 and CDC42 were involved in the signal pathways above. This study provides a scientific basis for the mechanism and effective ingredients of FHT.
Identification of a Tricyclic PIII Chiral Auxiliary for Solid‐Supported Synthesis of Stereopure Phosphorothioate‐Containing Oligonucleotides
Authors: Sakamuri Sukumar , Liu Dingguo , Eltepu Laxman , Liu Bin , Reboton Lisa Jo , Preston Ryan , Bradshaw Curt W.
Published: December 2019

Since the recognition of oligonucleotides as a therapeutic modality, significant work has been devoted to improving therapeutic properties, including nuclease stability. Phosphorothioate (PS) modifications of phosphodiesters are one of the most explored chemical modification and integral to currently approved oligonucleotide therapeutics, including antisense oligonucleotides (ASOs) and short interfering RNAs (siRNAs). Insertion of sulfur into the phosphate bridge in an n‐mer leads to 2n isomeric mixtures of PSs, with different nuclease stability and protein‐binding properties. Efforts to create stereopure PS‐containing oligonucleotides has spurred interest in identifying new synthetic methods. Herein, work on a novel and practical tricyclic PIII chiral auxiliary and its application in solid‐supported synthesis of stereopure PS‐containing oligonucleotides is reported.
Effect of processing on the hydroxycinnamic acids, flavones, and cellular antioxidant activity of tortillas supplemented with sorghum bran
Authors: Buitimea‐Cantúa Nydia E. , Serna‐Saldívar Sergio O.
Published: December 2019

Background and objectives

The aim of this study was to evaluate the effects of sorghum bran (SB) addition on the bound and free hydroxycinnamic acids, flavone levels, total phenolic compounds, total anthocyanin content, in vitro antioxidant activity, as well as cellular antioxidant activity of corn tortillas prepared with nixtamalized corn flour (NCF + SB).

Findings

The addition of SB increased the bound and free ferulic (FA), p‐coumaric (p‐CA), dehydro‐diferulic (di‐FA), and dehydro‐triferulic (tri‐FA) acids in tortillas. Corn tortillas enriched with 10% of sorghum bran contained higher total ferulic acid (186.78 mg FA/100 g), luteolin (3.05 µg/g), apigenin (2.26 µg/g), cellular antioxidant activity (36.95%), in vitro antioxidant activity (8.79%), total phenolic compounds (172.47 mg GAE/100 g), and total anthocyanin content (12.42 mg/100 g) compared to the control tortilla. The baking process increased the free ferulic acid from 66.6% to 131.2% in tortillas.

Despite the effects of lime‐cooking and baking, tortillas prepared with the NCF + SB‐10% retained approximately 86%, 90%, 54%, and 60% of total ferulic acid, total phenolic compounds, antioxidant activity, and total anthocyanin content, respectively. Likewise, the retention of apigenin and luteolin was 62% and 69%, respectively, whereas the retention of the cellular antioxidant activity was 58%.

Conclusions

The tortilla NCF + SB‐10% showed the best phytochemical profile and exerted the highest cellular antioxidant activity. Sorghum bran can be used as a functional ingredient for the production of corn tortillas with higher amounts of ferulic acid, cellular antioxidant activity, flavones, and total phenolic compounds.

Significance and novelty

The supplementation of SB to corn tortillas enhanced the bound and free hydroxycinnamic acids, flavones, total anthocyanins, and cellular antioxidant activity.
A molecular orbital selection approach for fast calculations of specific rotation with density functional theory
Authors: Aharon Tal , Caricato Marco
Published: December 2019

In this work, we describe a simple approach to select the most important molecular orbitals (MOs) to compute the optical rotation tensor through linear response (LR) Kohn‐Sham density functional theory (KS‐DFT). Taking advantage of the iterative nature of the algorithms commonly used to solve the LR equations, we select the MOs with contributions to the guess perturbed density that are larger than a certain threshold and solve the LR equations with the selected MOs only. We propose two criteria for the selection, and two definitions of the selection threshold. We then test the approach with two functionals (B3LYP and CAM‐B3LYP) and two basis sets (aug‐cc‐pVDZ and aug‐cc‐pVTZ) on a set of 51 organic molecules with specific rotation spanning five orders of magnitude, 100–104 deg (dm−1 (g/mL)−1). We show that this approach indeed can provide very accurate values of specific rotation with estimated speedup that ranges from 2 to 8× with the most conservative selection criterion, and up to 20 to 30× with the intermediate criterion.
Controlling the Lateral Size and Excitonic Properties of Colloidal PbS Nanosheets
Authors: Premathilaka Shashini M. , Tang Yiteng , Jiang Zhoufeng , MDS Weeraddana Tharaka , Debnath Antu Antara , Bischoff Seth , Sun Liangfeng
Published: December 2019

By changing the precursor lead‐to‐sulfur molar ratio in the synthesis of colloidal PbS nanosheets, the lateral size of the nanosheet can be tuned in a wide range from 100 nm to 1500 nm while keeping its thickness around 2.4 nm. Using chloroalkane molecules with a long carbon‐chain as the capping ligands can further reduce the lateral size down to 20 nm. The concentration of the chloroalkane in the reaction solution and the reaction temperature also have significant effects on the lateral size. At room temperature, nanosheets with a small lateral size exhibit a narrow light‐emission linewidth. The same nanosheets also show a sharp exciton peak near the band edge in the optical absorption spectrum.
One‐sided on‐demand communication technology for the semi‐Lagrange scheme in the YHGSM
Authors: Jiang Tao , Guo Peiming , Wu Jianping
Published: December 2019

Among the numerical weather prediction models proposed, the Yi‐he global spectral model (YHGSM) developed by the National University of Defense Technology provides two two‐sided communication schemes that perform parallel computing for the semi‐Lagrange convection. One is the maximum wind scheme, and the other is the on‐demand communication scheme. Although the latter can greatly reduce the communication volume, it needs to determine the communication pattern and interact with adjacent processes every time step, resulting in a limited performance improvement. This paper proposes an improved one‐sided optimization scheme that avoids the overhead caused by the determination of the communication structures. An experimental study demonstrates that the proposed one‐sided on‐demand scheme reduces the communication volume by more than 0.035% and the total number of communication operations by more than a half compared to the original two‐sided on‐demand scheme.
A roadside unit deployment framework for enhancing transportation services in Maghrebian cities
Authors: Ben Chaabene Seif , Yeferny Taoufik , Ben Yahia Sadok
Published: December 2019

Roadside units (RSUs) have a crucial role in maintaining vehicular ad hoc networks (VANETs) connectivity and coverage, especially, for applications gathering or disseminating nonsafety information. In big cities with complex road network topology, a huge number of costly RSUs must be deployed to collect data gathered by all moving vehicles. In this respect, several research works focusing on RSUs deployment have been proposed. The thriving challenge would be to (1) reduce the deployment cost by minimizing as far as possible the number of used RSUs and (2) to maximize the coverage ratio. In this paper, we introduce a spatiotemporal RSU deployment framework including three methods, namely, SPaCov, SPaCov+, and HeSPic. SPaCov starts by mining frequent mobility patterns of moving vehicles from their trajectories; then, it computes the best RSU locations that cover the extracted patterns. Nonetheless, SPaCov+ extracts the frequent mobility patterns as well as the rare ones to enhance the coverage ratio. HeSPiC is a budget‐constrained spatiotemporal coverage method that aims to maximize the coverage ratio subject to a budget constraint, which is defined in terms of RSU number. Performed simulations highlight the efficiency and the effectiveness of the proposed RSU deployment framework in terms of coverage ratio, deployment cost, network latency and overhead.
Nimble join: A parallel star join for main memory column‐stores
Authors: Sangat Prajwol , Taniar David , Indrawan‐Santiago Maria , Messom Christopher
Published: December 2019

Column‐stores perform significantly better than row‐stores on analytical workloads such as those found in data warehouses, decision support, and business intelligence applications. As mainstream data warehouses are growing into multi‐terabyte range, decision support queries should be processed in parallel to achieve adequate performance. Researchers of the column‐oriented join queries assume an unlimited reserve of main memory and focus on minimising execution time. However, some analytics require a large amount of memory to calculate intermediate results, and some interactive analytics require a fast initial response time even though queries need to process a large amount of data. Motivated by these requirements, we present a new progressive parallel star algorithm for main memory column‐stores known as “Nimble Join.” Equipped with multi‐attribute array table and a novel progressive materialisation technique, Nimble Join requires half the memory space and has two times faster initial response whilst having comparable execution time to the existing algorithm.
Generalized Pharmacometric Modeling, a Novel Paradigm for Integrating Machine Learning Algorithms: A Case Study of Metabolomic Biomarkers
Authors: McComb Mason , Ramanathan Murali
Published: December 2019

There is an unmet need for identifying innovative machine learning (ML) strategies to improve drug treatment regimens and therapeutic outcomes. We investigate Generalized Pharmacometric Modeling (GPM), a novel paradigm that integrates ML algorithms with pharmacokinetic and pharmacodynamic structural models, population covariate modeling, and “big data,” and enables identification of patient‐specific factors contributing to drug disposition. We hypothesize that GPM will enhance forecasting of drug outcomes in diverse populations. We assessed random forest regression in conjunction with Bayesian networks as the ML methods within GPM and used the National Health and Nutrition Examination Survey population‐based study database. GPM was utilized to identify subject‐specific factors associated with cholesterol dynamics. Our results demonstrate the utility of GPM to enhance pharmacometrics modeling and its potential for modeling drug outcomes in diverse populations.
Flexible responses to stage‐specific offspring threats
Authors: Britton Sarah , Ballentine Barbara
Published: December 2019

When caring for their young, parents must compensate for threats to offspring survival in a manner that maximizes their lifetime reproductive success. In birds, parents respond to offspring threats by altering reproductive strategies throughout the breeding attempt. Because altered reproductive strategies are costly, when threats to offspring are limited, parents should exhibit a limited response. However, it is unclear if response to offspring threat is the result of an integrated set of correlated changes throughout the breeding attempt or if responses are a flexible set of dissociable changes that are stage‐specific. We test these hypotheses in a system where house wrens (Troglodytes aedon) compete for nesting cavities with Carolina chickadees (Poecile carolinensis) by usurping and destroying their nests during the early stage of the breeding attempt (the egg stage). Due to the specificity of the house wren threat, we can test whether parental responses to an offspring threat show flexibility and stage specificity or if parental strategies are an integrated and persistent response. We monitored nests in a natural population to compare life history traits of chickadees nesting in boxes that were in the presence of house wrens to chickadees nesting in boxes that did not overlap with house wrens. Carolina chickadees that nested near house wrens laid significantly smaller clutch sizes (early change in reproductive strategy) but did not alter nestling provisioning or nestling stage length (late change in reproductive strategy), suggesting that chickadees respond in a flexible and stage‐specific manner to the threat of house wrens. By responding only when a threat is highest, parents minimize the cost of antithreat responses. Our study suggests that parents can respond in subtle and nuanced ways to offspring threats in the environment and specifically alter reproductive behaviors at the appropriate stage.
Short‐term prognostic implications of serum and urine neutrophil gelatinase‐associated lipocalin in acute heart failure: findings from the AKINESIS study
Authors: Wettersten Nicholas , Horiuchi Yu , van Veldhuisen Dirk J. , Mueller Christian , Filippatos Gerasimos , Nowak Richard , Hogan Christopher , Kontos Michael C. , Cannon Chad M. , Müeller Gerhard A. , Birkhahn Robert , Taub Pam , Vilke Gary M. , Barnett Olga , McDonald Kenneth , Mahon Niall , Nuñez Julio , Briguori Carlo , Passino Claudio , Maisel Alan , Murray Patrick T.
Published: December 2019

Aims

Kidney impairment has been associated with worse outcomes in acute heart failure (AHF), although recent studies challenge this association. Neutrophil gelatinase‐associated lipocalin (NGAL) is a novel biomarker of kidney tubular injury. Its prognostic role in AHF has not been evaluated in large cohorts. The present study aimed to determine if serum NGAL (sNGAL) or urine NGAL (uNGAL) is superior to creatinine for predicting short‐term outcomes in AHF.

Methods and results

The study was conducted in an international, multicentre, prospective cohort consisting of 927 patients with AHF. Admission and peak values of sNGAL, uNGAL and uNGAL/urine creatinine (uCr) ratio were compared to admission and peak serum creatinine (sCr). The composite endpoints were death, initiation of renal replacement therapy, heart failure (HF) readmission and any emergent HF‐related outpatient visit within 30 and 60 days, respectively. The mean age of the cohort was 69 years and 62% were male. The median length of stay was 6 days. The composite endpoint occurred in 106 patients and 154 patients within 30 and 60 days, respectively. Serum NGAL was more predictive than uNGAL and the uNGAL/uCr ratio but was not superior to sCr [area under the curve: admission sNGAL 0.61, 95% confidence interval (CI) 0.55–0.67, and 0.59, 95% CI 0.54–0.65; peak sNGAL: 0.60, 95% CI 0.54–0.66, and 0.57, 95% CI 0.52–0.63; admission sCr: 0.60, 95% CI 0.54–0.64, and 0.59, 95% CI 0.53–0.64; peak sCr: 0.61, 95% CI 0.55–0.67, and 0.59, 95% CI 0.54–0.64, at 30 and 60 days, respectively]. NGAL was not predictive of the composite endpoint in multivariate analysis.

Conclusions

Serum NGAL outperformed uNGAL but neither was superior to admission or peak sCr for predicting adverse events.
Mindful social inferences: Decentering decreases hostile attributions
Authors: van der Schans Kim Lien , Karremans Johan C. , Holland Rob W.
Published: December 2019

While research indicates that mindfulness can benefit individual well‐being, less is known about its potential impact in the interpersonal domain. In the current research, we examined whether a central element of mindfulness—decentering—decreases hostile attributions in ambiguous social situations. We hypothesized that decentering from experiences—observing and considering them as mental events that arise and disappear—hampers the development of hostile attributions. A series of three laboratory studies, two of which were high‐powered and pre‐registered, demonstrated that decentering decreases hostile attribution in response to ambiguous social scenarios as compared to immersion instructions, and as compared to baseline. Additionally, the results suggest that decentering may be particularly beneficial in reducing hostile attribution bias among participants high in trait rumination. The current findings provide initial insights into the effect of decentering on the development of hostile attribution bias, and the association between mindfulness and interpersonal responses more generally.
Structural break analysis for spectrum and trace of covariance operators
Authors: Aue A. , Rice G. , Sönmez O.
Published: December 2019

This paper deals with analyzing structural breaks in the covariance operator of sequentially observed functional data. For this purpose, procedures are developed to segment an observed stretch of curves into periods for which second‐order stationarity may be reasonably assumed. The proposed methods are based on measuring the fluctuations of sample eigenvalues, either individually or jointly, and traces of the sample covariance operator computed from segments of the data. To implement the tests, new limit results are introduced that deal with the large‐sample behavior of vector‐valued processes built from partial sample eigenvalue estimates. These results in turn enable the calibration of the tests to a prescribed asymptotic level. Applications to Australian annual minimum temperature curves and sea surface temperature anomaly records confirm that the proposed methods work well in finite samples. The first application suggests that the variation in annual minimum temperature underwent a structural break in the 1950s, after which typical fluctuations from the generally increasing trend started to be significantly smaller.
Comparison of ground‐based and UAV a‐UHF artificial tracer mobility monitoring methods on a braided river
Authors: Cassel M. , Piégay H. , Fantino G. , Lejot J. , Bultingaire L. , Michel K. , Perret F.
Published: December 2019

Radio frequency identification (RFID) technologies, which allow wireless detection of individual buried or immersed tracers, represent a step forward in sediment tracking, especially passive integrated transponders (PIT tags) that have been widely used. Despite their widespread adoption in the scientific community, they typically have low efficiency when deployed in river systems with active bedload transport or deep wet channels, attributed to their technical specifications. A recent evaluation of active ultra‐high frequency transponders (a‐UHF tags) assessed their larger detection range and provided a methodology for their geopositioning.

In this study, we test five different survey methods (one including an unmanned aerial vehicle [UAV]) in a sediment tracking study, and compare them in terms of recovery rate, field effort, geopositioning error, and efficiency. We then tested the method on a larger reach following a Q5 flood and performed cross‐comparisons between active and passive RFIDs. The results confirmed that the a‐UHF RFID technology allowed rapid (1.5 h ha−1) survey of a large area (<34 ha) of emerged bars and shallow water channels with recovery of a high percentage of tracers (72%) that had travelled large distances (mean ≈ 1000 m; max ≈ 3400 m). Moreover, the tracers were identified with low geopositioning error (mean ≈ 7.1 m, ≤1% of their travel distance). We also showed that a UAV‐based survey was fast (0.38 h ha−1), efficient (recovery rate = 84%), and low error (mean ≈ 4.2 m). Thus, a‐UHF RFID technology permits the development of a variety of survey methods, depending on the study objectives and the human and financial resources available. This allows field efforts to be optimized by determining an appropriate balance between the high equipment cost of a‐UHF tracers and the resulting reduced survey costs. © 2019 John Wiley & Sons, Ltd.
Erosion of rocky shore platforms by block detachment from layered stratigraphy
Authors: Buchanan Danielle H. , Naylor Larissa A. , Hurst Martin D. , Stephenson Wayne J.
Published: December 2019

The majority of shore platforms form in rocks that are characterised by layered stratigraphy and pervasive jointing. Plucking of weathered, joint and bed bounded blocks is an important erosion process that existing models of platform development do not represent. Globally, measuring platform erosion rates have focused on microscale (< 1 mm) surface lowering rather than mesoscale (0.1‐1 m) block detachment, yet the latter appears to dominate the morphological development of discontinuity rich platforms. Given the sporadic nature of block detachment on platforms, observations of erosion from storm event to multi‐decadal timescales (and beyond) are required to quantify shore platform erosion rates. To this end, we collected aerial photography using an unmanned aerial vehicle to produce structure‐from‐motion‐derived digital elevation models and orthophotos. These were combined with historical aerial photographs to characterise and quantify the erosion of two actively eroding stratigraphic layers on a shore platform in Glamorgan, south Wales, UK, over 78‐years. We find that volumetric erosion rates vary over two orders of magnitude (0.1‐10 m3 yr‐1) and do not scale with the length of the record. Average rates over the full 78‐year record are 2‐5 m3 yr‐1. These rates are equivalent to 1.2‐5.3 mm yr‐1 surface lowering rates, an order of magnitude faster than previously published, both at our site and around the world in similar rock types. We show that meso‐scale platform erosion via block detachment processes is a dominant erosion process on shore platforms across seasonal to multi‐decadal timescales that have been hitherto under‐investigated. © 2019 The Authors. Earth Surface Processes and Landforms published by John Wiley & Sons Ltd
Isolating the impacts of anthropogenic water use within the hydrological regime of north India
Authors: O'Keeffe J. , Moulds S. , Scheidegger J.M. , Jackson C.R. , Nair T. , Mijic A.
Published: December 2019

The effects of anthropogenic water use play a significant role in determining the hydrological cycle of north India. This paper explores anthropogenic impacts within the region's hydrological regime by explicitly including observed human water use behaviour, irrigation infrastructure and the natural environment in the CHANSE (Coupled Human And Natural Systems Environment) socio‐hydrological modelling framework. The model is constrained by observed qualitative and quantitative information collected in the study area, along with climate and socio‐economic variables from additional sources. Four separate scenarios, including business as usual (BAU, representing observed irrigation practices), groundwater irrigation only (where the influence of the canal network is removed), canal irrigation only (where all irrigation water is supplied by diverted surface water) and rainfed only (where all human interventions are removed) are used. Under BAU conditions the modelling framework closely matched observed groundwater levels. Following the removal of the canal network, which forces farmers to rely completely on groundwater for irrigation, water levels decrease, while under a canal‐only scenario flooding occurs. Under the rainfed‐only scenario, groundwater levels similar to current business‐as‐usual conditions are observed, despite much larger volumes of recharge and discharge entering and leaving the system under BAU practices. While groundwater abstraction alone may lead to aquifer depletion, the conjunctive use of surface and groundwater resources, which includes unintended contributions of canal leakage, create conditions similar to those where no human interventions are present. Here, the importance of suitable water management practices, in maintaining sustainable water resources, is shown. This may include augmenting groundwater resources through managed aquifer recharge and reducing the impacts on aquifer resources through occasional canal water use where possible. The importance of optimal water management practices that highlight trade‐offs between environmental impact and human wellbeing are shown, providing useful information for policy makers, water managers and users. © 2019 John Wiley & Sons, Ltd.
Modelling the process of soil detachment by rill flow on steep loessial hillslopes
Authors: Shen Nan , Wang Zhanli , Zhang Qingwei , Wu Bing , Liu June
Published: December 2019

Soil detachment by rill flow is a key process of rill erosion, modelling this process can help in understanding rill erosion mechanisms. However, many soil detachment models are established on conceptual assumptions rather than experimental data. The objectives of this study were to establish a model of soil detachment by rill flow based on flume experimental data and to quantitatively verify the model. We simulated the process of soil detachment by rill flow in flume experiments with a soil‐feeding hopper using loessial soil on steep slopes. Seven flow discharges, six slopes and five sediment loads were combined. Soil detachment capacity, sediment transport capacity, and soil detachment rate by rill flow under different sediment loads were measured. The process of soil detachment by rill flow can be modelled by a dual power function based on soil detachment capacity and transport capacity deficit as variables. The established model exhibited high credibility (NSE=0.97; R2=0.97). The contributions of soil detachment capacity and transport capacity deficit to soil detachment rate by rill flow reached 60% and 36%, respectively. Soil detachment capacity exerted more influence on soil detachment rate than did transport capacity deficit. The performance of the WEPP rill erosion equation is also favourable (NSE=0.95; R2=0.97). The two power exponents in the model we established strengthen the role of soil detachment capacity in soil detachment rate and weaken that for transport capacity deficit. Soil detachment capacity and transport capacity deficit played important roles in the determination of soil detachment rate by rill flow. The results can be applied to implement the numerical modeling and prediction of rill erosion processes on steep loessial hillslopes. © 2019 John Wiley & Sons, Ltd.
Spatio‐temporal characteristics of small‐scale wave–current ripples on the Ameland ebb‐tidal delta
Authors: Brakenhoff Laura , Kleinhans Maarten , Ruessink Gerben , van der Vegt Maarten
Published: December 2019

Ebb‐tidal deltas are highly dynamic environments affected by both waves and currents that approach the coast under various angles. Among other bedforms of various scales, these hydrodynamics create small‐scale bedforms (ripples), which increase the bed roughness and will therefore affect hydrodynamics and sediment transport. In morphodynamic models, sediment transport predictions depend on the roughness height, but the accuracy of these predictors has not been tested for field conditions with strongly mixed (wave–current dominated) forcing. In this study, small‐scale bedforms were observed in the field with a 3D Profiling Sonar at five locations on the Ameland ebb‐tidal delta, the Netherlands. Hydrodynamic conditions ranged from wave dominated to current dominated, but were mixed most of the time. Small‐scale ripples were found on all studied parts of the delta, superimposed on megaripples. Even though a large range of hydrodynamic conditions was encountered, the spatio‐temporal variations in small‐scale ripple dimensions were relatively small (height
0.015 m, length
0.11 m). Also, the ripples were always highly three‐dimensional. These small dimensions are probably caused by the fact that the bed consists of relatively fine sediment. Five bedform height predictors were tested, but they all overestimated the ripple heights, partly because they were not created for small grain sizes. Furthermore, the predictors all have a strong dependence on wave‐ and current‐related velocities, whereas the ripple heights measured here were only related to the near‐bed orbital velocity. Therefore, ripple heights and lengths in wave–current‐dominated, fine‐grained coastal areas (
 mm) may be best estimated by constant values rather than values dependent on the hydrodynamics. In the case of the Ameland ebb‐tidal delta, these values were found to be
 m and
 m. ©2019 The Authors. Earth Surface Processes and Landforms published by John Wiley & Sons Ltd.
CBS gene polymorphism and promoter methylation‐mediating effects on the efficacy of folate therapy in patients with hyperhomocysteinemia
Authors: Zhao Qinglin , Zhang Chengda , Li Dankang , Huang Xiaowen , Ren Bingnan , Yue Limin , Du Binghui , Godfrey Opolot , Zhang Weidong
Published: December 2019

Background

A decrease in cystathionine beta‐synthase (CBS) enzyme activity could lead to hyperhomocysteinemia (HHcy). Studies have revealed that DNA methylation has a mediating effect on the development of diseases. The present study aimed to explore CBS promoter methylation‐mediating effects on the efficacy of folate treatment for HHcy.

Methods

HHcy patients were treated with folate (5 mg/day) for 90 days and then divided into a failure group (Hcy ≥ 15 μmol/l) and a success group (Hcy < 15 μmol/l) according to post‐treatment plasma Hcy levels. Genotyping of CBS gene (rs2851391 and rs706209) in patients (n = 638) was detected using a MassArray system (Sequenom, San Diego, CA, USA). The baseline DNA methylation levels of patients (n = 299) were detected using MethylTarget™ technology (Genesky Biotechnologies Inc., Shanghai, China).

Results

The CBS rs2851391 TC + CC genotype was related to a 57% reduction of failure risk in HHcy treatment compared to the TT genotype (95% confidence interval [CI] = 0.19–0.97). The CBS rs706209 CT + TT genotype had a 2.97‐fold increased risk of failure to treatment compared to the CC genotype (95% CI = 1.52–5.80). After adjustment for confounding factors, the odds ratio (95% CI) for the risk of failure in HHcy treatment in total and male patients was 0.55 (0.32–0.93) and 0.34 (0.16–0.69), respectively, for patients with higher methylation levels (≥ methylation median). Additionally, baseline CBS promoter methylation mediated 33.39% of the effect of rs2851391 on the efficacy of folate treatment for HHcy (ACME [average causal mediation effects]: –0.05, 95% CI = –0.11 to 0.00, p = 0.046).

Conclusions

The present study indicates that CBS gene polymorphism and promoter methylation could affect the efficacy of HHcy. There were potentially causal effects of genetic, epigenetic variations at the CBS rs2851391 locus on the efficacy of HHcy therapy with folate.
Efficient synthesis and molecular docking of novel antibacterial pyrimidines and their related fused heterocyclic derivatives
Authors: Sanad Sherif M. H. , Ahmed Ahmed A. M. , Mekky Ahmed E. M.
Published: December 2019

3‐(Benzo[d][1,3]dioxol‐5‐yl)‐1‐(thiophen‐2‐yl)prop‐2‐en‐1‐one reacted with each of thiourea and 6‐amino‐2‐thioxo‐2,3‐dihydropyrimidin‐4(1H)‐one to give the corresponding pyrimidine‐2(1H)‐thiones. Then, these compounds reacted with the appropriate hydrazonyl chlorides in dioxane in the presence of triethylamine to afford the corresponding [1,2,4]triazolo[4,3‐a]pyrimidines and their related fused pyridines. Moreover, chalcone was cyclocondensed with 2‐cyanothioacetamide to give pyridine‐2(1H)‐thione and taken as a key synthon to novel 2‐(methylthio)pyridothienopyrimidin‐4(3H)‐one derivative. The above derivative reacted with the appropriate hydrazonyl chlorides in dioxane in the presence of triethylamine to yield the corresponding pyridothieno[3,2‐d][1,2,4]triazolo[4,3‐a]pyrimidines. Study of the in vitro antimicrobial activities of the newly pyrimidines were performed. Pyridothienopyrimidine 24a showed the highest inhibitory activity against all bacteria with MIC values of 3.9, 7.81, 7.81, and 15.62 μg/mL, respectively, against Escherichia coli, Klebsiella pneumonia, Staphylococcus aureus, and Streptococcus mutans, respectively, as compared to reference drugs. Molecular docking was studied to predict of the optimized conformation of pyrimidines as active ligands against the Escherichia coli alkaline phosphatase. The structures of the hybrid molecules were elucidated by IR, Mass, 1H NMR, and 13C NMR spectra as well as elemental analyses.
Morphological and biomechanical effects of annulus fibrosus injury and repair in an ovine cervical model
Authors: Long Rose G. , Ferguson Stephen J. , Benneker Lorin M. , Sakai Daisuke , Li Zhen , Pandit Abhay , Grijpma Dirk W. , Eglin David , Zeiter Stephan , Schmid Tanja , Eberli Ursula , Nehrbass Dirk , Di Pauli von Treuheim Theodor , Alini Mauro , Iatridis James C. , Grad Sibylle
Published: December 2019

Tissue engineering repair of annulus fibrosus (AF) defects has the potential to prevent disability and pain from intervertebral disc (IVD) herniation and its progression to degeneration. Clinical translation of AF repair methods requires assessment in long‐term large animal models. An ovine AF injury model was developed using cervical spinal levels and a biopsy‐type AF defect to assess composite tissue engineering repair in 1‐month and 12‐month studies. The repair used a fibrin hydrogel crosslinked with genipin (FibGen) to seal defects, poly(trimethylene carbonate) (PTMC) scaffolds to replace lost AF tissue, and polyurethane membranes to prevent herniation. In the 1‐month study, PTMC scaffolds sealed with FibGen herniated with polyurethane membranes. When applied alone, FibGen integrated with the surrounding AF tissue without herniation, showing promise for long‐term studies. The 12‐month long‐term study used only FibGen which showed fibrous healing, biomaterial resorption and no obvious hydrogel‐related complications. However, the 2 mm biopsy punch injury condition also exhibited fibrotic healing at 12 months. Both untreated and FibGen treated groups showed equivalency with no detectable differences in histological grades of proteoglycans, cellular morphology, IVD structure and blood vessel formation, biomechanical properties including torque range and axial range of motion, Pfirrmann grade, IVD height, and quantitative scores of vertebral body changes from clinical computed tomography. The biopsy‐type injury caused endplate defects with a high prevalence of osteophytes in all groups and no nucleus herniation, indicating that the biopsy‐type injury requires further refinement, such as reduction to a slit‐type defect that could penetrate the full depth of the AF without damaging the endplate. Results demonstrate translational feasibility of FibGen for AF repair to seal AF defects, although future study with a more refined injury model is required to validate the efficacy of FibGen before translation.
Magnetic trajectories in three‐dimensional Lie groups
Authors: Turhan Tunahan
Published: December 2019

We study magnetic trajectories in Lie groups equipped with bi‐invariant Riemannian metric. We define the Lorentz force of a magnetic field in a Lie group G, and then, we give the Lorentz force equation for the associated magnetic trajectories that are curves in G. When the manifold is a Lie group G equipped with bi‐invariant Riemannian metric, we derive differential equation system that characterizes magnetic flow associated with the Killing magnetic curves with regard to the Lie reduction of the curve γ in G.
Finite difference scheme for time‐space fractional diffusion equation with fractional boundary conditions
Authors: Xie Changping , Fang Shaomei
Published: December 2019

In this paper, the finite difference scheme is developed for the time‐space fractional diffusion equation with Dirichlet and fractional boundary conditions. The time and space fractional derivatives are considered in the senses of Caputo and Riemann‐Liouville, respectively. The stability and convergence of the proposed numerical scheme are strictly proved, and the convergence order is O(τ2−α+h2). Numerical experiments are performed to confirm the accuracy and efficiency of our scheme.
T1 measurement of bound water in cortical bone using 3D adiabatic inversion recovery ultrashort echo time (3D IR‐UTE) Cones imaging
Authors: Guo Tan , Ma Yajun , Jerban Saeed , Jang Hyungseok , Zhao Wei , Chang Eric Y. , Chen Min , Bydder Graeme M. , Du Jiang
Published: December 2019

Purpose

We describe the measurement of bound water T1 () of cortical bone in vitro and in vivo with a 3D adiabatic inversion recovery ultrashort echo time (IR‐UTE) Cones sequence using a clinical 3T scanner.

Methods

A series IR‐UTE data from 6 repetition times (TRs) with 5 inversion times (TIs) at each TR were acquired from 12 human tibial bone specimens, and data from 4 TRs with 5 TIs at each TR were acquired from the tibial midshafts of 8 healthy volunteers. The pore water nulling point was calculated from exponential fitting of the inversion recovery curve at each TR. Bone specimens and volunteers were then scanned again with the calculated nulling point at each TR. was derived through exponential fitting of data from IR‐UTE images acquired at different TRs using the calculated pore water nulling point for each TR.

Results

In vitro pore water nulling TIs were 141.3 ± 11.6, 123.4 ± 8.9, 101.3 ± 6.2, 88.9 ± 5.3, 74.8 ± 4.2, and 59.2 ± 3.9 ms for the 6 TRs of 500, 400, 300, 250, 200, and 150 ms, respectively. In vivo pore water nulling TIs were 132.8 ± 12.8, 110.3 ± 10.0, 80.0 ± 7.2, and 63.9 ± 5.4 ms for the 4 TRs of 400, 300, 200, and 150 ms, respectively. Excellent exponential fitting was achieved for IR‐UTE imaging of bound water with pore water nulled at each TR. The mean was 106.9 ± 6.3 ms in vitro and 112.3 ± 16.4 ms in vivo.

Conclusion

Using the 3D IR‐UTE Cones with a variable TR/TI approach, of cortical bone was calculated after complete nulling of pore water signals.
HPLC‐DAD method for the detection of five annopurpuricins in root samples ofAnnona purpurea
Authors: Hernández‐Fuentes Gustavo A. , Peraza Campos Ana L. , Ceballos‐Magaña Silvia G. , Muñiz‐Valencia Roberto , Parra‐Delgado Hortensia
Published: December 2019

Introduction

Annona purpureais a species known in Mexico as “cabeza de negro”. In folk medicineA. purpurearoot is used to treat patients with kidney diseases and cancer. Our recent studies demonstrated that this species contains five acetogenins named annopurpuricins A–E, which are active against tumoural cell lines in a subnanomolar range.

Objective

To develop an analytical method using a high‐performance liquid chromatography diode array detector (HPLC‐DAD) to quantify annopurpuricins A–E in differentA. purpurearoot samples.

Methodology

To quantify the five annopurpuricins A–E a sample treatment was carried out, which consisted of fractionation by means of cold and hot maceration; using solvents of ascending polarity: hexane, dichloromethane, methanol and water. The resulting extracts were subject to HPLC‐DAD analysis. The optimised chromatographic separation on a XBRIDGE C18 column achieved separation of all compounds in around 30 min.

Results

The developed method was validated according to ICH (International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use) validation guide. The developed analytical method was found fast, economic, robust, sensitive, linear and precise. The dichloromethane extract ofA. purpureacontains annopurpuricin A in quantities 2‐ to 25‐fold higher than annopurpuricins B–E. This optimised method identified and quantified five annopurpuricins, highly bioactive molecules, inA. purpurearoot.

Conclusions

The fingerprint of the dichloromethane extracts ofA. purpureawas obtained at 210 nm. The results analysis allowed to quantify annopurpuricins A–E that are present in different collection batches of medium polarity extracts. After data analysis, annopurpuricin A could be establish as the metabolite marker of the root of the species.
Clinical research study designs: The essentials
Authors: Chidambaram Ambika G. , Josephson Maureen
Published: December 2019

In clinical research, our aim is to design a study which would be able to derive a valid and meaningful scientific conclusion using appropriate statistical methods. The conclusions derived from a research study can either improve health care or result in inadvertent harm to patients. Hence, this requires a well‐designed clinical research study that rests on a strong foundation of a detailed methodology and governed by ethical clinical principles. The purpose of this review is to provide the readers an overview of the basic study designs and its applicability in clinical research.