bluuebunny/crossref_metadata_2025 huggingface dataset:
Solar photovoltaic panels significantly promote vegetation recovery by modifying the soil surface microhabitats in an arid sandy ecosystem
Authors: Liu Yu , Zhang Rui‐Qi , Huang Ze , Cheng Zhen , López‐Vicente Manuel , Ma Xiao‐Rong , Wu Gao‐Lin
Published: July 2019

The arid sandy areas have great potential for producing solar power, and a large number of solar photovoltaic (PV) power (SPP) stations have been set‐up in these regions across the world. Construction of SPP at large scale certainly changes the land surface with consequences on the local ecosystem. However, few studies have focused on these impacts. This study explored the influence of SPP on vegetation by modifying microhabitats. The soil water content (SWC), evaporation, photosynthetically active radiation (PAR), soil and air temperature (AT), vegetation coverage, biomass, and species richness were measured under different positions of the SPP and outside. The results showed that SWC in the station was much higher than that observed outside the SPP, and the evaporation in the SPP was lower than outside (P < .05). The PAR below the PV panel line zone is much lower than the interval (IT) zone. The surface coverage, biomass, and species richness were significantly higher in the SPP than outside the IT zone and outside the SPP (P < .05). The AT under the panel was 1.67 times lower than above during the plant growing season. The microhabitat index has a high correlation with biomass, coverage, and species richness. PV panels could impact microhabitat in arid sandy areas and accelerate vegetation recovery progress and quality. The SPP construction would not only supply clean energy but also bring unintended ecological benefits in the future.
Final outcome of articles rejected after revision at Obstetrics & Gynecology: An investigation
Authors: Venkatesh Kartik K. , Benner Rebecca S. , Riggs Thomas W. , Chescheir Nancy C.
Published: July 2019

Not all manuscripts are published following revision, which potentially wastes the time of editors, reviewers, and authors. To investigate the reasons for final rejection and whether these articles were finally published, we evaluated submissions to Obstetrics & Gynecology from January 2013 to December 2017. We found that, of 8,119 manuscripts submitted, 1,650 (20.3%) were invited for revision, of which 121 or 7.3% were ultimately rejected or withdrawn from publication after an invitation for revision. In multivariable analyses, manuscripts rejected after an invitation for revision were more likely to be original research and to have higher‐than‐average reviewer quality scores compared to those accepted after revision. Primary reasons for revision included data interpretation and analytical methods. Reasons for rejection after revision were generally modifiable, but over a third would have required a change to the original study design. Most rejected manuscripts following revision were published in another MEDLINE‐indexed obstetrics and gynaecology journal but usually with a lower impact factor than Obstetrics & Gynecology.
Rational Design and Development of Anisotropic and Mechanically Strong Gelatin‐Based Stress Relaxing Hydrogels for Osteogenic/Chondrogenic Differentiation
Authors: Dey Kamol , Agnelli Silvia , Re Federica , Russo Domenico , Lisignoli Gina , Manferdini Cristina , Bernardi Simona , Gabusi Elena , Sartore Luciana
Published: July 2019

Rational design and development of tailorable simple synthesis process remains a centerpiece of investigational efforts toward engineering advanced hydrogels. In this study, a green and scalable synthesis approach is developed to formulate a set of gelatin‐based macroporous hybrid hydrogels. This approach consists of four sequential steps starting from liquid‐phase pre‐crosslinking/grafting, unidirectional freezing, freeze‐drying, and finally post‐curing process. The chemical crosslinking mainly involves between epoxy groups of functionalized polyethylene glycol and functional groups of gelatin both in liquid and solid state. Importantly, this approach allows to accommodate different polymers, chitosan or hydroxyethyl cellulose, under identical benign condition. Structural and mechanical anisotropy can be tuned by the selection of polymer constituents. Overall, all hydrogels show suitable structural stability, good swellability, high porosity and pore interconnectivity, and maintenance of mechanical integrity during 3‐week‐long hydrolytic degradation. Under compression, hydrogels exhibit robust mechanical properties with nonlinear elasticity and stress‐relaxation behavior and show no sign of mechanical failure under repeated compression at 50% deformation. Biological experiment with human bone marrow mesenchymal stromal cells (hMSCs) reveals that hydrogels are biocompatible, and their physicomechanical properties are suitable to support cells growth, and osteogenic/chondrogenic differentiation, demonstrating their potential application for bone and cartilage regenerative medicine toward clinically relevant endpoints.
A New Quantum Cascade IR‐Laser Online Detector: Chemical‐Sensitive Size‐Exclusion Chromatography Measurement at Unprecedented Low Levels
Authors: Kübel Jennifer M. , Botha Carlo , Bucka Aleksandra , Höpfner Johannes , Zimmermann Henrik , Godejohann Matthias , Wilhelm Manfred
Published: July 2019

Online chemically sensitive detectors for size exclusion chromatography (SEC) through coupled setups based on infrared (IR) (or NMR) spectrometers present new possibilities through unprecedented levels of polymer detail with respect to molecular weight and chemical composition. Herein, a new external cavity quantum cascade laser (EC‐QCL) mid‐IR spectrometer as a chemically sensitive online detector for SEC is custom‐designed, built, and tested. This unique spectrometer features multiple broadly tunable EC‐QCL sources, which can be operated in continuous wave and pulsed mode, accompanied with balanced liquid nitrogen cooled mercury cadmium telluride (MCT) detectors and a new custom‐built transmission flow cell. Automated data analysis is done with a self‐written MATLAB code. The limit of detection (LOD) is measured online, coupled with SEC chromatography, where on average, one carbonyl functionality in 530 000 g mol−1 at chromatographic conditions for SEC could be detected. It is possible to detect 0.46 µg (LOD) PMMA, which is approximately a factor of 30 lower than that reported for SEC‐Fourier transform infrared.
Adaptive projective synchronization for a class of switched chaotic systems
Authors: Ren Ling , Zhang Guoshan
Published: July 2019

This paper addresses the problem of projective synchronization of chaotic systems and switched chaotic systems by adaptive control methods. First, a necessary and sufficient condition is proposed to show how many state variables can realize projective synchronization under a linear feedback controller for the chaotic systems. Then, accordingly, a new algorithm is given to select all state variables that can realize projective synchronization. Furthermore, according to the results of the projective synchronization of chaotic systems, the problem of projective synchronization of the switched chaotic systems comprised by the unified chaotic systems is investigated, and an adaptive global linear feedback controller with only one input channel is designed, which can realize the projective synchronization under the arbitrary switching law. It is worth mentioning that the proposed method can also realize complete synchronization of the switched chaotic systems. Finally, the numerical simulation results verify the correctness and effectiveness of the proposed method.
Numerical analysis for the quadratic matrix equations from a modification of fixed‐point type
Authors: Hernández‐Verón Miguel A. , Romero Natalia
Published: July 2019

In this paper, we study the quadratic matrix equations. To improve the application of iterative schemes, we use a transform of the quadratic matrix equation into an equivalent fixed‐point equation. Then, we consider an iterative process of Chebyshev‐type to solve this equation. We prove that this iterative scheme is more efficient than Newton's method. Moreover, we obtain a local convergence result for this iterative scheme. We finish showing, by an application to noisy Wiener‐Hopf problems, that the iterative process considered is computationally more efficient than Newton's method.
A 3D‐2D asymptotic analysis of viscoelastic problem with nonlinear dissipative and source terms
Authors: Dilmi Mohamed , Dilmi Mourad , Benseridi Hamid
Published: July 2019

The purpose of this article is to study the asymptotic analysis of the solutions of a linear viscoelastic problem with a dissipative and source terms in a three‐dimensional thin domain Ωε. Firstly, we give the strong formulation of the problem and the existence and uniqueness theorem of the weak solution. Then, we establish some estimates independent of the parameter ε. These last will be useful to obtain the limit problem with a specific weak form of the Reynolds equation.
Potential Role of Leptin in Cardiac Steatosis Induced by Highly Saturated Fat Intake during Adolescence
Authors: Plaza Adrián , Antonazzi Marco , Blanco‐Urgoiti Jaime , Del Olmo Nuria , Ruiz‐Gayo Mariano
Published: July 2019

Scope

To identify the age‐dependent effect of diets containing elevated amounts of either saturated or unsaturated fatty acids on cardiac steatosis in mice.

Methods and Results

Five‐ and eight‐week‐old C57BL/6J mice cohorts are given free access to either a saturated or an unsaturated fatty‐acid‐enriched diet during 8 weeks. Body weight (BW) and food intake are monitored during this period. Cardiac lipid content, carnitine palmitoyltransferase‐I (CPT‐I) activity, and the amount of uncoupling proteins 2 and 3 (UCP2 and UCP3) are analyzed and correlated with blood leptin concentration. Leptin and PPARγ gene expression is quantified in white adipose tissue (WAT). Both diets have a similar effect on food intake, BW, and adiposity, independently of the age. Nevertheless, cardiac steatosis is specifically identified in adolescent mice consuming the saturated diet. These animals also display lower activity of cardiac CPT‐I, a down‐regulation of cardiac UCP2, together with lower concentration of plasma leptin. Accordingly, leptin gene expression is reduced in the visceral WAT.

Conclusion

Consumption of diets containing elevated amounts of saturated fat during adolescence and early adult life promotes cardiac steatosis in mice. An insufficient endocrine activity of WAT, in terms of leptin production, may account for such an effect.
Prospective motion and B0 shim correction for MR spectroscopy in human brain at 7T
Authors: Deelchand Dinesh K. , Joers James M. , Auerbach Edward J. , Henry Pierre‐Gilles
Published: July 2019

Purpose

To demonstrate feasibility and performance of prospective motion and B0 shim correction for MRS in human brain at 7T.

Methods

Prospective motion correction using an optical camera and linear B0 shim correction using FASTMAP‐like navigators were implemented into a semi‐LASER sequence. The effect of motion on spectral quality was assessed without and with prospective correction in prefrontal cortex in 11 subjects.

Results

Without prospective motion and shim correction, motion resulted in considerable degradation of MR spectra (broader linewidth, lower signal‐to‐noise ratio, degraded water suppression). With prospective motion and shim correction, spectral quality remained excellent despite motion. Prospective motion correction alone was not sufficient to prevent degradation of spectral quality.

Conclusion

Prospective motion and B0 shim correction is feasible at 7T and should help improve the robustness of MRS, particularly in motion‐prone populations.
Limb‐girdle muscular dystrophy: A perspective from adult patients on what matters most
Authors: Hunter Michael , Heatwole Chad , Wicklund Matthew , Weihl Conrad C. , Mozaffar Tahseen , Statland Jeffrey M. , Johnson Nicholas E.
Published: July 2019

Introduction

Limb‐girdle muscular dystrophy (LGMD) consists of over 30 genetic conditions with varying clinical phenotypes primarily affecting pelvic girdle, shoulder girdle, and other proximal limb muscles. Studies focusing on the physical, mental, and social effects of this disease from the patient's perspective are limited.

Methods

Adults with LGMD were interviewed and asked to identify issues that have the greatest impact on their quality of life. Each interview was recorded, transcribed, coded, and analyzed.

Results

Participants provided 1385 direct quotes. One hundred sixty‐five potential symptoms of importance were identified and grouped into 15 larger themes. The most frequently reported themes included limitations with mobility, difficulty performing activities, social role limitations, and emotional distress.

Discussion

There are multiple symptoms that alter the lives of adults with LGMD. These affect their physical, emotional, and social health, and may be amenable to medical intervention.
A poly‐superellipsoid‐based approach on particle morphology for DEM modeling of granular media
Authors: Zhao Shiwei , Zhao Jidong
Published: July 2019

Particle morphology plays a key role in affecting physical and mechanical behaviors of granular media. While various mathematical approaches and shape descriptors have been proposed to describe the morphological properties of granular particles, it remains a challenge to effectively incorporate them for efficient discrete modeling of granular materials. This study presents a new poly‐superellipsoid‐based approach for three‐dimensional discrete element method (DEM) modeling of non‐spherical convex particles. A uniform mathematical description of 3D poly‐superellipsoidal surface is employed to represent a realistic granular particle, which is shown to be versatile and effective in reproducing a wide range of shape features (including elongation, flatness, angularity, and asymmetry) for real particles in nature. A novel optimization approach based on hybrid Levenberg‐Marquardt (LM) and Gilbert‐Johnson‐Keerthi (GJK) algorithms is further developed for efficient and robust contact detection in DEM simulation of poly‐superellipsoidal assemblies. Simulations of granular packing and triaxial compression tests show that the proposed approach is generally robust and efficient for both dynamic and quasistatic modeling of granular media.
Extended follow‐up of the AdVance XP male sling in the treatment of male urinary stress incontinence after 48 months: Results of a prospective and multicenter study
Authors: Grabbert Markus , Mumm Jan‐Niclas , Klehr Benedikt , Kretschmer Alexander , Gebhartl Peter , Gozzi Christian , Homberg Roland , May Florian , Rehder Peter , Stief Christian G. , Bauer Ricarda M.
Published: July 2019

Objective

To evaluate the efficacy and safety of the AdVance XP male sling in a midterm follow‐up for the treatment of male urinary incontinence in a selected patient cohort.

Materials and Methods

In all, 115 patients with postprostatectomy incontinence were prospectively enrolled. A previous endoscopic evaluation of a sufficient coaptive zone in the repositioning test was mandatory. Patients with urine leakage in supine position or previous incontinence surgery were excluded. Postoperatively a standardized 24‐hour pad test and pad usage were evaluated. To compare pre‐ and postoperative continence status nonparametric t test was used. A P‐value of <.05 was seen as statistically significant.

Results

Median preoperative urine loss in the 24‐hour pad test was 272 g (min. 42‐max. 1600) and was significantly improved at any point in follow‐up. Success was defined as 0 pads per day and a maximum of 5 g in the 24‐hour pad test. After a follow‐up of 48 months, 71.7% of the patients were cured, whereas 15.0% of patients had an improved continence situation and 13.3% were classified as failed. Mean urine loss decreased significantly to 24.4 g (P ≤ .001). No severe intra‐ or postoperative complications are to be reported. Median follow‐up was 4.2 years.

Conclusions

A stable effectiveness in a selected patient cohort can also be demonstrated in an extended follow‐up. The complication rates are low and no late postoperative complications occurred, indicating the safety of the procedure.
Mesenchymal transition and increased therapy resistance of glioblastoma cells is related to astrocyte reactivity
Authors: Niklasson Mia , Bergström Tobias , Jarvius Malin , Sundström Anders , Nyberg Frida , Haglund Caroline , Larsson Rolf , Westermark Bengt , Segerman Bo , Segerman Anna
Published: July 2019

Grade IV astrocytoma/glioblastoma multiforme (GBM) is essentially incurable, partly due to its heterogenous nature, demonstrated even within the glioma‐initiating cell (GIC) population. Increased therapy resistance of GICs is coupled to transition into a mesenchymal (MES) cell state. The GBM MES molecular signature displays a pronounced inflammatory character and its expression vary within and between tumors. Herein, we investigate how MES transition of GBM cells relates to inflammatory responses of normal astroglia. In response to CNS insults astrocytes enter a reactive cell state and participate in directing neuroinflammation and subsequent healing processes. We found that the MES signature show strong resemblance to gene programs induced in reactive astrocytes. Likewise, astrocyte reactivity gene signatures were enriched in therapy‐resistant MES‐like GIC clones. Variable expression of astrocyte reactivity related genes also largely defined intratumoral GBM cell heterogeneity at the single‐cell level and strongly correlated with our previously defined therapy‐resistance signature (based on linked molecular and functional characterization of GIC clones). In line with this, therapy‐resistant MES‐like GIC secreted immunoregulatory and tissue repair related proteins characteristic of astrocyte reactivity. Moreover, sensitive GIC clones could be made reactive through long‐term exposure to the proinflammatory cytokine interleukin 1 beta (IL1β). IL1β induced a slow MES transition, increased therapy resistance, and a shift in DNA methylation profile towards that of resistant clones, which confirmed a slow reprogramming process. In summary, GICs enter through MES transition a reactive‐astrocyte‐like cell state, connected to therapy resistance. Thus, from a biological point of view, MES GICs would preferably be called ‘reactive GICs’. The ability of GBM cells to mimic astroglial reactivity contextualizes the immunomodulatory and microenvironment reshaping abilities of GBM cells that generate a tumor‐promoting milieu. This insight will be important to guide the development of future sensitizing therapies targeting treatment‐resistant relapse‐driving cell populations as well as enhancing the efficiency of immunotherapies in GBM. © 2019 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Blood‐based biomarkers in the maternal circulation associated with fetal growth restriction
Authors: Tong Stephen , Joy Kaitu'u‐Lino Tu'uhevaha , Walker Susan Philippa , MacDonald Teresa Mary
Published: July 2019

Fetal growth restriction (FGR) is associated with threefold to fourfold increased risk of stillbirth. Identifying FGR, through its commonly used surrogate—the small‐for‐gestational‐age (SGA, estimated fetal weight and/or abdominal circumference <10th centile) fetus—and instituting fetal surveillance and timely delivery decrease stillbirth risk. Methods available to clinicians for antenatal identification of SGA fetuses have surprisingly poor sensitivity. About 80% of cases remain undetected. Measuring the symphysis‐fundal height detects only 20% of SGA fetuses, and even universal third trimester ultrasound detects, at best, 57% of those born SGA. There is an urgent need to find better ways to identify this at‐risk cohort. This review summarises efforts to identify molecular biomarkers (proteins, metabolites, or ribonucleic acids) that could be used to better predict FGR. Most studies examining potential biomarkers to date have utilised case‐control study designs without proceeding to validation in independent cohorts. To develop a robust test for FGR, large prospective studies are required with a priori validation plans and cohorts. Given that current clinical care detects 20% of SGA fetuses, even a screening test with ≥60% sensitivity at 90% specificity could be clinically useful, if developed. This may be an achievable aspiration. If discovered, such a test may decrease stillbirth.
Antidepressant continuation in pregnancy and risk of gestational diabetes
Authors: Wartko Paige D. , Weiss Noel S. , Enquobahrie Daniel A. , Chan K.C. Gary , Stephenson‐Famy Alyssa , Mueller Beth A. , Dublin Sascha
Published: July 2019

Purpose

Previous studies observed modestly higher risk of gestational diabetes (GDM) associated with antidepressant use in pregnancy, potentially due to confounding by indication. We assessed the association of antidepressant continuation in pregnancy with GDM, as well as blood glucose levels, after accounting for confounding.

Methods

We conducted a retrospective cohort study of singleton live births from 2001 to 2014 to women enrolled in Kaiser Permanente Washington, an integrated health care delivery system, utilizing electronic health data and linked Washington State birth records. We required that women have ≥1 antidepressant prescription fills ≤6 months before pregnancy. Women with an antidepressant fill during pregnancy were categorized as “continuers” (n = 1634); those without a fill were “discontinuers” (n = 1211). We calculated relative risks (RRs) for GDM and mean differences in screening blood glucose levels using generalized estimating equations with inverse probability of treatment weighting to account for baseline characteristics, including mental health conditions and indicators of mental health severity.

Results

Compared with discontinuers, antidepressant continuers had comparable risk of GDM (RR: 1.10; 95% confidence interval [CI], 0.84‐1.44) and blood glucose levels (mean difference: 2.3 mg/dL; 95% CI, −1.5 to 6.1 mg/dL). We observed generally similar results for specific antidepressants, with the potential exceptions of risk of GDM associated with sertraline (RR: 1.30; 95% CI, 0.90‐1.88) and venlafaxine (RR: 1.52; 95% CI, 0.87‐2.68), but neither association was statistically significant.

Conclusions

Our study suggests that overall, women who continue antidepressants in pregnancy are not at increased risk for GDM or higher blood glucose, although further study may be warranted for sertraline and venlafaxine.
Methodologic considerations for noninterventional studies of switching from reference biologic to biosimilars
Authors: Desai Rishi J. , Kim Seoyoung C. , Curtis Jeffrey R. , Bosco Jaclyn L.F. , Eichelberger Bernadette , Barr Charles E. , Lockhart Catherine M. , Bradbury Brian D. , Clewell Jerry , Cohen Hillel P. , Gagne Joshua J. ,   the Biologics and Biosimilars Collective Intelligence Consortium (BBCIC) Switching Workgroup
Published: July 2019

Purpose

As more biosimilars become available in the United States, postapproval noninterventional studies describing biosimilar switching and comparing effectiveness and/or safety between switchers and nonswitchers will play a key role in generating real‐world evidence to inform clinical practices and policy decisions. Ensuring sound methodology is critical for making valid inferences from these studies.

Methods

The Biologics and Biosimilars Collective Intelligence Consortium (BBCIC) convened a workgroup consisting of academic researchers, industry scientists, and practicing clinicians to establish best practice recommendations for the conduct of noninterventional studies of biosimilar and reference biologic switching. The workgroup members participated in eight teleconferences between August 2017 and February 2018 to discuss specific topics and build consensus.

Results

This report provides workgroup recommendations covering five main considerations relating to noninterventional studies describing reference biologic to biosimilar switching and comparing reference biologic to biosimilars for safety and effectiveness in the presence of switching at treatment initiation and during follow‐up: (a) selecting appropriate data sources from a range of available options including insurance claims, electronic health records, and registries; (b) study designs; (c) outcomes of interest including health care utilization and clinical endpoints; (d) analytic approaches including propensity scores, disease risk scores, and instrumental variables; and (e) special considerations including avoiding designs that ignore history of biologic use, avoiding immortal time bias, exposure misclassification, and accounting for postindex switching.

Conclusion

Recommendations provided in this report provide a framework that may be helpful in designing and critically evaluating postapproval noninterventional studies involving reference biologic to biosimilar switching.
Spasticity and Pain after Spinal Cord Injury: Impact on Daily Life and the Influence of Psychological Factors
Authors: Tibbett Jacqueline A. , Field‐Fote Edelle C. , Thomas Christine K. , Widerström‐Noga Eva G.
Published: July 2019

Background

Spasticity and pain frequently co‐occur in persons with spinal cord injury (SCI), yet, how these sequelae interact in daily life is unclear. Additionally, little is known about how psychological factors relate to the perception of spasticity and its impacts on daily life.

Objectives

(1) Characterize relationships between spasticity and chronic pain with regard to perceived severity, difficulty dealing, and life interference. (2) Determine the extent to which perceived spasticity severity and physiological, psychological, and pain‐related factors contribute to impacts of spasticity on daily life (difficulty in dealing, life interference). (3) Determine the effects of painful spasticity on aspects of chronic pain and spasticity (severity, life interference, interference with sleep, and spasm duration).

Design

Observational study.

Setting

University laboratory.

Participants

Twenty participants with SCI and lower extremity spasticity.

Methods

Measures included International SCI Pain Basic Data Set, Pain and Spasticity Inventories, Difficulty Dealing with Pain/Spasticity, SCI‐Spasticity Evaluation Tool, Connor‐Davidson Resilience and Moorong Self‐Efficacy Scales, Spinal Cord Assessment Tool for Spastic Reflexes, spasm duration, and injury‐related and demographic factors. Bivariate correlations, multiple regression analyses, and pairwise comparisons were performed.

Results

Spasticity and chronic pain were directly related, with respect to perceived severity, difficulty dealing, and life interference (rho = 0.514‐0.673, P < .05). Shorter injury duration, greater perceived spasticity severity, and greater difficulty dealing with pain explained 61% of variance in difficulty dealing with spasticity. Greater perceived spasticity severity and lower resilience explained 72% of variance in life interference of spasticity. Spasm duration was not significantly associated with perceived spasticity severity. Participants with painful spasticity had significantly greater chronic pain severity (P = .02) and sleep‐related impact of spasticity (P = .03) than participants without painful spasticity.

Conclusions

Perceived severity of spasticity, injury duration, ability to deal with chronic pain, resilience, and painful spasms appear to play important roles in the negative impacts of spasticity on life after SCI.

Level of Evidence

III.
Lack of resonance assistance in a classical intramolecular hydrogen bond: An exploration from quantum theory of atoms‐in‐molecules perspective
Authors: Paul Bijan K.
Published: July 2019

A computational investigation has been performed to characterize the intramolecular hydrogen bond (IMHB) interaction in 7‐hydroxy‐2,3‐dihydro‐1H‐inden‐1‐one (7H1I). The results of natural bond orbital (NBO) analysis describe the formation of the IMHB in 7H1I in terms of hyperconjugative charge transfer from the lone electron pair of the acceptor oxygen atom (Oa) to the σ* antibonding orbital of the Od―H1proton donating bond. However, the key motivation of the present work rests on characterization of the IMHB interaction by calculation of electron density (ρc), its Laplacian (∇2ρc), and electron energy density parameters at the bond critical point (BCP) based on the quantum theory of atoms‐in‐molecules (QTAIM). The topological parameters reveal the intriguing result of the lack of resonance assistance in the IMHB of 7H1I despite the presence of an apparently suitable route for the same, contrary to its aromatic (salicylic acid) and nonaromatic ((Z)‐3‐hydroxyacrylaldehyde) analogues. This inference is further supported by an analysis of the aromaticity of the conjoined benzene nucleus. The predominance of hyperconjugation as compared with rehybridization underlying the formation of IMHB in 7H1I is also argued in this context.
The predominant roles of the sequence periodicity in the self‐assembly of collagen‐mimetic mini‐fibrils
Authors: Chen Fangfang , Strawn Rebecca , Xu Yujia
Published: July 2019

Collagen fibrils represent a unique case of protein folding and self‐association. We have recently successfully developed triple‐helical peptides that can further self‐assemble into collagen‐mimetic mini‐fibrils. The 35 nm axially repeating structure of the mini‐fibrils, which is designated the d‐period, is highly reminiscent of the well‐known 67 nm D‐period of native collagens when examined using TEM and atomic force spectroscopy. We postulate that it is the pseudo‐identical repeating sequence units in the primary structure of the designed peptides that give rise to the d‐period of the quaternary structure of the mini‐fibrils. In this work, we characterize the self‐assembly of two additional designed peptides: peptide Col877 and peptide Col108rr. The triple‐helix domain of Col877 consists of three pseudo‐identical amino acid sequence units arranged in tandem, whereas that of Col108rr consists of three sequence units identical in amino acid composition but different in sequence. Both peptides form stable collagen triple helices, but only triple helices Col877 self‐associate laterally under fibril forming conditions to form mini‐fibrils having the predicted d‐period. The Co108rr triple helices, however, only form nonspecific aggregates having no identifiable structural features. These results further accentuate the critical involvement of the repeating sequence units in the self‐assembly of collagen mini‐fibrils; the actual amino acid sequence of each unit has only secondary effects. Collagen is essential for tissue development and function. This novel approach to creating collagen‐mimetic fibrils can potentially impact fundamental research and have a wide range of biomedical and industrial applications.
Intrinsically disordered domains: Sequence ➔ disorder ➔ function relationships
Authors: Zhou Jianhong , Oldfield Christopher J. , Yan Wenying , Shen Bairong , Dunker A. Keith
Published: July 2019

Disordered domains are long regions of intrinsic disorder that ideally have conserved sequences, conserved disorder, and conserved functions. These domains were first noticed in protein–protein interactions that are distinct from the interactions between two structured domains and the interactions between structured domains and linear motifs or molecular recognition features (MoRFs). So far, disordered domains have not been systematically characterized. Here, we present a bioinformatics investigation of the sequence–disorder–function relationships for a set of probable disordered domains (PDDs) identified from the Pfam database. All the Pfam seed proteins from those domains with at least one PDD sequence were collected. Most often, if a set contains one PDD sequence, then all members of the set are PDDs or nearly so. However, many seed sets have sequence collections that exhibit diverse proportions of predicted disorder and structure, thus giving the completely unexpected result that conserved sequences can vary substantially in predicted disorder and structure. In addition to the induction of structure by binding to protein partners, disordered domains are also induced to form structure by disulfide bond formation, by ion binding, and by complex formation with RNA or DNA. The two new findings, (a) that conserved sequences can vary substantially in their predicted disorder content and (b) that homologues from a single domain can evolve from structure to disorder (or vice versa), enrich our understanding of the sequence ➔ disorder ensemble ➔ function paradigm.
The structure of the extended E2 DNA‐binding domain of the bovine papillomavirus‐1
Authors: Leroy Ludmila , Barbosa João Alexandre Ribeiro Gonçalves , de Prat‐Gay Gonzalo , Polikarpov Igor , Pinheiro Carlos Basílio
Published: July 2019

Bovine papillomavirus proteins were extensively studied as a prototype for the human papillomavirus. Here, the crystal structure of the extended E2 DNA‐binding domain of the dominant transcription regulator from the bovine papillomavirus strain 1 is described in the space group P3121. We found two protein functional dimers packed in the asymmetric unit. This new protein arrangement inside the crystal led to the reduction of the mobility of a previously unobserved loop directly involved in the protein‐DNA interaction, which was then modeled for the first time.
Brain histamine H1 receptor occupancy after oral administration of desloratadine and loratadine
Authors: Nakamura Tadaho , Hiraoka Kotaro , Harada Ryuichi , Matsuzawa Takuro , Ishikawa Yoichi , Funaki Yoshihito , Yoshikawa Takeo , Tashiro Manabu , Yanai Kazuhiko , Okamura Nobuyuki
Published: July 2019

Some histamine H1 receptor (H1R) antagonists induce adverse sedative reactions caused by blockade of histamine transmission in the brain. Desloratadine is a second‐generation antihistamine for treatment of allergic disorders. Its binding to brain H1Rs, which is the basis of sedative property of antihistamines, has not been examined previously in the human brain by positron emission tomography (PET). We examined brain H1R binding potential ratio (BPR), H1R occupancy (H1RO), and subjective sleepiness after oral desloratadine administration in comparison to loratadine. Eight healthy male volunteers underwent PET imaging with [11C]‐doxepin, a PET tracer for H1Rs, after a single oral administration of desloratadine (5 mg), loratadine (10 mg), or placebo in a double‐blind crossover study. BPR and H1RO in the cerebral cortex were calculated, and plasma concentrations of loratadine and desloratadine were measured. Subjective sleepiness was quantified by the Line Analogue Rating Scale (LARS) and the Stanford Sleepiness Scale (SSS). BPR was significantly lower after loratadine administration than after placebo (0.504 ± 0.074 vs 0.584 ± 0.059 [mean ± SD], P < 0.05), but BPR after desloratadine administration was not significantly different from BPR after placebo (0.546 ± 0.084 vs 0.584 ± 0.059, P = 0.250). The plasma concentration of loratadine was negatively correlated with BPR in subjects receiving loratadine, but that of desloratadine was not correlated with BPR. Brain H1ROs after desloratadine and loratadine administration were 6.47 ± 10.5% and 13.8 ± 7.00%, respectively (P = 0.103). Subjective sleepiness did not significantly differ among subjects receiving the two antihistamines and placebo. At therapeutic doses, desloratadine did not bind significantly to brain H1Rs and did not induce any significant sedation.
First‐Principles Study of Structure, Magnetic Properties, and Stability of η‐Carbides (M,Fe)3W3C (M = Ti, V, Cr, Mn, Co, and Ni)
Authors: Suetin Dmitrii V. , Medvedeva Nadezhda I.
Published: July 2019

The elastic moduli, stability, electronic structure, and magnetic properties of quaternary η‐carbides M3−xFexW3C (M = Ti, V, Cr, Mn, Fe, Co, Ni and x = 0,1,2) are studied using ab initio calculations. Stabilities of quaternary M3−xFexW3C and binary carbides (MC, M3C, M6C, M7C3, M5C2, M23C6) are compared and their competition depending on the type of metal is discussed. The η‐phases are the only stable carbides for the late transition metals (Fe, Co, and Ni), whereas they are least stable for the beginning 3d‐elements (M = Ti, V). The magnetic properties of η‐carbides are shown to depend strongly on the type and concentration of the 3d metal M.
Metallicity and Paramagnetism of Single‐Crystalline NiTe and NiTe2
Authors: Mao Qianhui , Zhang Yannan , Chen Qin , Li Ruixue , Geng Xiaodong , Yang Jinfeng , Hao Haoshan , Fang Minghu
Published: July 2019

The synthesis, electrical resistivity ρ(T), and magnetic susceptibility χ(T) of single‐crystalline NiTe and NiTe2 are reported. The two compounds display good metallic behavior with χ(300 K) ≈3.6 μΩ cm, and ρ(T) at low temperature can be well described by Fermi‐liquid theory. χ(T) measurements suggest that both samples exhibit Pauli‐like paramagnetism. The Pauli magnetic susceptibility of NiTe is strongly enhanced, implying it is in proximity to magnetic instability.
Interaction of Multiwalled Carbon Nanotube Aerogels with Quasi‐Optical Terahertz Beams
Authors: Dorofeev Igor O. , Suslyaev Valentin I. , Moseenkov Sergey I. , Kuznetsov Vladimir L. , Dorozhkin Kirill V.
Published: July 2019

This article presents the measurements of the reflectance from a plane‐parallel aerogel sample formed by multiwalled carbon nanotubes (MWCNTs) in the terahertz range. With an increase in frequency from 100 GHz to 1.5 THz, the reflectance decreases by more than a factor of two. Based on the experimental data and the well‐known wire medium model formed by a three‐dimensional lattice of intersecting conductors, a model of a regular wire medium is constructed using MWCNTs with effective electrophysical characteristics equivalent to those of an irregular aerogel medium. This model reveals that a significant drop in the reflectance in the terahertz frequency range occurs because the plasma frequency of the equivalent medium is located here. The model allows estimating the properties of the aerogel environment in the frequency range extending up to 5 THz and with variations in the packing density of MWCNTs in aerogel. Estimates of the reflection, transmission, and absorption are presented for the case of normal incidence on a thin (submillimeter) layer of such a medium. The aerogel absorption at a given conductivity of CNTs is determined by their packing density.
Effect of the Cove Region Geometry in Polycyclic Aromatic Hydrocarbons on Alumina‐Assisted Cyclodehydrofluorination
Authors: Akhmetov Vladimir , Amsharov Konstantin
Published: July 2019

Despite conventional opinion on high inertness of aluminum oxide and exceptional stability of the carbon–fluorine bond, activated γ‐alumina effectively polarizes the C–F bond. This process is known to implement effective C–C coupling in the cove region, leading to intramolecular annulation and formation of non‐alternant polycyclic aromatic hydrocarbons (PAHs). Herein, the importance of the cove region geometry on annulation efficiency is shown. This is demonstrated using precursor 1 as a model, which allows investigation of the cove region's major feature, namely its helical geometry, and effect of its structure on the efficiency of intramolecular C–C bond formation. Herein, the synthesis of 1, its behavior on activated alumina, and reasoning for the observed outcomes are described.
The Interaction of Extended Defects as the Origin of Step Bunching in Epitaxial III–V Layers on Vicinal Si(001) Substrates
Authors: Niehle Michael , Rodriguez Jean-Baptiste , Cerutti Laurent , Tournié Eric , Trampert Achim
Published: July 2019

Several nanometer high steps are observed by (scanning) transmission electron microscopy at the surface and interfaces in heteroepitaxially grown III–Sb layers on vicinal Si(001) substrates. Their relations with antiphase boundaries (APBs) and threading dislocations (TDs) are elaborated. An asymmetric number density of TDs on symmetry‐equivalent {111} lattice planes is revealed and explained according to the substrate miscut and the lattice misfit in the heteroepitaxial material system. Finally, a step bunching mechanism is proposed based on the interplay of APBs, TDs, and the vicinal surface of the miscut substrate.
Machine learning and signed particles, an alternative and efficient way to simulate quantum systems
Authors: Sellier Jean Michel , Kapanova Kristina G. , Leygonie Jacob , Caron Gaetan Marceau
Published: July 2019

Recently neural networks have been applied in the context of the signed particle formulation of quantum mechanics to rapidly and reliably compute the Wigner kernel of any provided potential. Important advantages were introduced, such as the reduction of the amount of memory required for the simulation of a quantum system by avoiding the storage of the kernel in a multi‐dimensional array, as well as attainment of consistent speedup by the ability to realize the computation only on the cells occupied by signed particles. An inherent limitation was the number of hidden neurons to be equal to the number of cells of the discretized real space. In this work, anew network architecture is presented, decreasing the number of neurons in its hidden layer, thereby reducing the complexity of the network and achieving an additional speedup. The approach is validated on a onedimensional quantum system consisting of a Gaussian wave packet interacting with a potential barrier.
A high‐resolution, multimodal data set for agricultural robotics: A Ladybird's‐eye view of Brassica
Authors: Bender Asher , Whelan Brett , Sukkarieh Salah
Published: July 2019

This article presents an agricultural data set collected by Ladybird, an autonomous field robot designed at the Australian Centre for Field Robotics. The data set contains weekly scans of cauliflower and broccoli (Brassica oleracea) covering a 10 week growth cycle from transplant to harvest. The data set includes ground truth; physical characteristics of the crop; environmental data collected by a weather station and a soil sensor network; and scans of the crop performed by Ladybird, which include stereo color, thermal and hyperspectral imagery. The layout of the farm and data collection methodology are described. A description of Ladybird's capabilities and sensors are provided. Benchmark results are provided to illustrate the contents of the data set and how it can be processed. The hyperspectral data are compiled into hypercubes and the pixels are classified into crop, weed, or soil. An object detector is applied to the color imagery to locate the crop. Our intention in releasing the data set is to facilitate robotics and machine learning research activity in agriculture. The data set can be downloaded from https://doi.org/10.25910/5c941d0c8bccb.
Animal‐borne wireless network: Remote imaging of community ecology
Authors: Park Shinkyu , Aschenbach Konrad H. , Ahmed Manjur , Scott William L. , Leonard Naomi E. , Abernathy Kyler , Marshall Greg , Shepard Mike , Martins Nuno C.
Published: July 2019

This article describes the design, construction, and field‐testing of a standalone networked animal‐borne monitoring system conceived to study community ecology remotely. The system consists of an assemblage of identical battery‐powered sensing devices with wireless communication capabilities that are each collar‐mounted on a study animal and together form a mobile ad hoc network. The sensing modalities of each device include high‐definition video, inertial accelerometry, and location resolved via a global positioning system module. Our system is conceived to use information exchange across the network to enable the devices to jointly decide without supervision when and how to use each sensing modality. The ultimate goal is to extend battery life while making sure that important events are appropriately documented. This requires judicious use of highly informative but power‐hungry sensing modalities, such as video, because battery capacity is constrained by stringent weight and dimension restrictions. We have proposed algorithms to regulate sensing rates, data transmission among devices, and triggering for video recording based on location and animal group movements and configuration. We have also developed the hardware and firmware of our devices to reliably execute these algorithms in the exacting conditions of real‐life deployments. We describe validation of the performance and reliability of our system using deployment results for a mission in Gorongosa National Park (Mozambique) to monitor two species in their natural habitat: the waterbuck and the African buffalo. We present movement data and snapshots of animal point‐of‐view videos collected by 14 fully operational devices collared on 10 waterbucks and 4 buffaloes.
Regression analysis and variable selection for two‐stage multiple‐infection group testing data
Authors: Lin Juexin , Wang Dewei , Zheng Qi
Published: July 2019

Group testing, as a cost‐effective strategy, has been widely used to perform large‐scale screening for rare infections. Recently, the use of multiplex assays has transformed the goal of group testing from detecting a single disease to diagnosing multiple infections simultaneously. Existing research on multiple‐infection group testing data either exclude individual covariate information or ignore possible retests on suspicious individuals. To incorporate both, we propose a new regression model. This new model allows us to perform a regression analysis for each infection using multiple‐infection group testing data. Furthermore, we introduce an efficient variable selection method to reveal truly relevant risk factors for each disease. Our methodology also allows for the estimation of the assay sensitivity and specificity when they are unknown. We examine the finite sample performance of our method through extensive simulation studies and apply it to a chlamydia and gonorrhea screening data set to illustrate its practical usefulness.
Nanoarchitectonics of Biofunctionalized Metal–Organic Frameworks with Biological Macromolecules and Living Cells
Authors: Dutta Saikat , Kim Jeonghun , Hsieh Pin‐Hsun , Hsu Yu‐Shen , Kaneti Yusuf Valentino , Shieh Fa‐Kuen , Yamauchi Yusuke , Wu Kevin C.‐W.
Published: July 2019

The formation of biofunctionalized metal–organic frameworks (MOFs) by growing them on a variety of macromolecular biological species, particularly on enzymes and living cells, offers exciting opportunities for a wide range of applications, including biocatalysis, biosensing, and diagnoses. MOFs are commonly subjected to biofunctionalization and biomimetic mineralization, owing to their good chemical and thermal stabilities and easy preparation in aqueous medium under ambient conditions. The functionalization of MOFs with biological substances, such as enzymes, nonenzymatic proteins, and living cells promotes the formation of MOF‐based biocomposites which retain the biological functions of the embedded biological substances. The most common method to construct these biofunctionalized MOFs is either by directly growing the MOF on the biological moiety or by postsynthetic modification of the exterior surface of the MOF with the desired biological species. In particular, hierarchically porous MOFs (containing both mesopores and micropores) are ideal candidates for hosting enzymes and for the translocation of nonenzymatic proteins. This review covers various advanced strategies for developing MOF‐based biocomposites for a wide range of bioapplications, such as biomedical storage, tumor cell targeting, and drug delivery. The influence of MOFs on the biological activity of living cells and future prospects for developing novel MOF‐based biorefinery are discussed.