bluuebunny/crossref_metadata_2025 huggingface dataset:
Patient-Reported Measures of Hearing Loss and Tinnitus in Pediatric Cancer and Hematopoietic Stem Cell Transplantation: A Systematic Review
Authors: Stark Daniel , Rosenberg Abby R. , Johnston Donna , Knight Kristin , Caperon Lizzie , Uleryk Elizabeth , Frazier A. Lindsay , Sung Lillian
Published: September 2016

Purpose

We identified studies that described use of any patient-reported outcome scale for hearing loss or tinnitus among children and adolescents and young adults (AYAs) with cancer or hematopoietic stem cell transplantation (HSCT) recipients.

Method

In this systematic review, we performed electronic searches of OvidSP MEDLINE, EMBASE, and PsycINFO to August 2015. We included studies if they used any patient-reported scale of hearing loss or tinnitus among children and AYAs with cancer or HSCT recipients. Only English language publications were included. Two reviewers identified studies and abstracted data.

Results

There were 953 studies screened; 6 met eligibility criteria. All studies administered hearing patient-reported outcomes only once, after therapy completion. None of the studies described the psychometric properties of the hearing-specific component. Three instruments (among 6 studies) were used: Health Utilities Index (Barr et al., 2000; Fu et al., 2006; Kennedy et al., 2014), Hearing Measurement Scales (Einar-Jon et al., 2011; Einarsson et al., 2011), and the Tinnitus Questionnaire for Auditory Brainstem Implant (Soussi & Otto, 1994). All had limitations, precluding routine use for hearing assessment in this population.

Conclusions

We identified few studies that included hearing patient-reported measures for children and AYA cancer and HSCT patients. None are ideal to take forward into future studies. Future work should focus on the creation of a new psychometrically sound instrument for hearing outcomes in this population.

Supplemental Material

https://doi.org/10.23641/asha.14963898
Do Adolescents With Specific Language Impairment Understand Driving Terminology?
Authors: Pandolfe Jessica M. , Wittke Kacie , Spaulding Tammie J.
Published: September 2016

Purpose

This study examined if adolescents with specific language impairment (SLI) understand driving vocabulary as well as their typically developing (TD) peers.

Method

A total of 16 adolescents with SLI and 16 TD comparison adolescents completed a receptive vocabulary task focused on driving terminology derived from statewide driver's manuals.

Results

The SLI group understood fewer driving-related terms when compared with the TD comparison group. Although both groups performed comparably in understanding simple noun driving terminology, the SLI group had greater difficulty comprehending compound noun and verb driving terms.

Discussion

The decreased understanding of terms found in driver's manuals for adolescents with SLI has implications for how they access necessary information for learning the driving rules, regulations, and procedures important for securing a driver's license.
Spatial correlation based analysis of soft combination and user selection algorithm for cooperative spectrum sensing
Authors: Bhatti Dost Muhammad Saqib , Nam Haewoon
Published: September 2016

This study presents an analytical method that shows how spatial correlation degrades the overall performance of cooperative spectrum sensing. In a cooperative spectrum sensing, where all secondary users (SUs) report their sensing information to the fusion centre (FC), sensing information is correlated for closely located users due to the similar surrounding environment. Considering the soft combining at the FC, this study shows how detection performance of correlated SUs is different from uncorrelated SUs. Furthermore, an algorithm is proposed which selects best uncorrelated SUs among all SUs of the network based on received power to the FC from SUs. The simulation results confirm the performance analysis of cooperative spectrum sensing with spatial correlation on the sensing data.
Energy‐efficient dual‐layer coordinated beamforming scheme in multi‐cell massive multiple‐input–multiple‐output systems
Authors: Mei Jie , Zhao Long , Zheng Kan , Wang Xiaoyu
Published: September 2016

To improve the energy efficiency of multi‐cell massive multiple‐input–multiple‐output system while guaranteeing the information transmission quality, this study proposes a dual‐layer coordinated beamforming scheme. In the proposed scheme, the beamformer at each evolved node B (eNB) is divided into a cell‐layer beamformer and a user‐layer beamformer. The cell‐layer beamformer is used to mitigate inter‐cell interference (ICI) by exchanging long‐term channel state information (CSI) among eNBs. The user‐layer beamformer serves user according to the local real‐time CSI at each eNB. On the basis of the dual‐layer structure, the cell‐layer beamformers, the user‐layer beamformers, and power allocation are jointly optimised in order to minimise the total transmit power across all the eNBs subject to the signal‐to‐interference‐plus‐noise ratio requirements and single‐antenna power constraints. To make the original problem solvable, the ICI is replaced by its upper bound. Then, the problem is partitioned into two convex sub‐problems, and two iterative algorithms are proposed in order to find the sub‐optimal solution to the original optimisation problem. Simulation results show that the proposed scheme performs better than two reference schemes including the existing zero‐forcing scheme and coordinative multiple point schemes.
Efficient frequency‐domain channel equalisation methods for OFDM visible light communications
Authors: Lin Bangjiang , Tang Xuan , Ghassemlooy Zabih , Zhang Shihao , Li Yiwei , Wu Yi , Li Hui
Published: September 2016

The authors present efficient frequency‐domain channel estimation methods based on the intra‐symbol frequency‐domain averaging (ISFA), minimum mean squared error (MMSE) and weighted inter‐frame averaging (WIFA) schemes for the orthogonal frequency division multiplexing (OFDM) visible light communications (VLC) system. OFDM‐VLC with quadrature phase shift keying, 16‐ and 64‐quadrature amplitude modulation mapping is experimentally demonstrated. Compared with the conventional least square channel estimation method, ISFA, MMSE and WIFA offer improved performance with MMSE offering the best performance in terms of the error vector magnitude but at the cost of high complexity. The authors show that the WIFA can improve the estimation accuracy of time‐varying VLC optical channel.
Optimal design of star‐connected autotransformer applied to large current rectifier
Authors: Meng Fangang , Liu Pengyu , Gao Lei , Yang Wei , Yang Shiyan
Published: September 2016

To improve the power density of large current rectifier, this study designs optimally a star‐connected autotransformer which is used in large current rectifier. From the viewpoint of minimising the kVA rating of phase‐shift transformer and conduction loss of rectification devices, it is concluded that the ideal large current rectifier is a combination of dual three‐phase half‐wave rectifiers and a star‐connected autotransformer which is used to be the phase‐shift transformer. To design optimally the star‐connected autotransformer, the winding configurations of the star‐connected autotransformer are analysed, and the corresponding expressions and waveforms of current through windings at different winding configurations are also obtained. Consequently, the kVA rating expressions of the autotransformer under different winding configurations are calculated, which describe the relationship between the winding configuration and load power. From the expressions, the optimal winding configuration, which has the least kVA rating and winding numbers, is obtained. Some simulations and experiments are carried out to verify the theoretical analysis.
Addressing errors in automated sensor data for real‐time traffic state estimation using dynamical systems approach
Authors: Fulari Shrikant G. , Vanajakshi Lelitha , Subramanian Shankar C.
Published: September 2016

Developments in the area of intelligent transportation system in India are constrained due to the difficulty in accurate automated data collection. Many existing automated sensors may not be accurate under Indian traffic conditions due to their heterogeneity and less lane discipline, resulting in erroneous data. Thus, there is a need to develop tools and estimation schemes that can address these errors and still be able to generate reasonably accurate results. The present study addresses this issue, considering the real‐time estimation of speed and density. A dynamical systems approach using the Kalman filtering technique was developed. The implementation was done using data fusion where location‐based and spatial traffic variables were used. The estimated values were compared with field data and it was observed that the proposed method was reasonably accurate in the presence of erroneous data.
Z‐source matrix rectifier
Authors: Hongchen Liu , Yuliang Ji , Dan Zhao , Zhang Chengming , Wheeler Patrick , Guolei Fan
Published: September 2016

This study presents a novel Z‐source matrix rectifier (ZSMR). To overcome the inherent disadvantage that the voltage transfer ratio for traditional matrix rectifier (MR) cannot be more than 0.866, a Z‐source network has been combined with the MR. The proposed rectifier realises a voltage‐boost function and the Z‐source network also serves as power storage and guarantees double filtration grade at the output of the rectifier. The open‐circuit zero state is required to obtain the voltage‐boost function and ensure the output angle of the current vector to be invariant to obtain the expected power factor. In addition, to widely extend the voltage transfer ratio of the proposed rectifier, this study presents the switched‐inductor matrix rectifier (SL‐ZSMR) and tapped‐inductor matrix rectifier (TL‐ZSMR). The corresponding circuit topologies, control strategies and operating principles are introduced. Both simulation and experimental results are shown to verify the theoretical analysis.
Discrimination and identification between mainlobe repeater jamming and target echo via sparse recovery
Authors: Ding Liming , Li Rongfeng , Dai Lingyan , Chen Fengbo , Wang Yongliang
Published: September 2016

The multiple measurement vector (MMV) problem aims to recover non‐zero entries from multiple measurements. In order to discriminate and identify the target echo and repeater jamming in the mainlobe, multiple measurements are analysed and decomposed to form a two‐dimensional reconstruction model by constructing two overcomplete dictionaries. It is an extension of the MMV problem. The two‐dimensional reconstruction model can be converted to a single measurement vector problem by the Kronecker product and solved by basis pursuit. In order to reduce dimension, a random left matrix is adopted to propose the random Kronecker basis pursuit (RKBP) algorithm. Both the direction of arrival (DOA) and delay information of the target echo and jamming signals are obtained to identify them. Furthermore, RKBP outperforms sparse recovery for weighted subspace fitting which relies on second‐order cone programming in the DOA resolution capability. Finally, simulation results verify the efficiency of the proposed algorithm.
Coherent unambiguous transmit for sparse linear array with geography constraint
Authors: Yu Xianxiang , Cui Guolong , Yang Shiqian , Kong Lingjiang , Yi Wei
Published: September 2016

This study considers the sparse linear array (SLA) design problem of coherent unambiguous transmit for the distributed aperture coherence‐synthetic radar, accounting for the antenna size constraint and geography constraint where the elements cannot be placed in a given region. The authors develop an objective function considering the sum of the peak sidelobe level (PSL) for different beam shifting directions. Then, based on a processing strategy for considered constraints, they derive the antenna element locations by minimising the objective function through particle swarm optimisation algorithm. Finally, several numerical simulations verify the effectiveness of the proposed SLA design method.
The Effects of Influenza Vaccination during Pregnancy on Birth Outcomes: A Systematic Review and Meta-Analysis
Authors: Nunes Marta , Aqil Anushka , Omer Saad , Madhi Shabir
Published: September 2016

Objective Numerous observational studies have evaluated the relationship between influenza vaccination during pregnancy and birth outcomes. The number of studies on this subject has increased, especially after the 2009 A/H1N1 pandemic (A/H1N1pdm09). This meta-analysis aims to determine the impact of maternal vaccination with either seasonal trivalent inactivated influenza vaccines (IIV) or A/H1N1pdm09 monovalent vaccines on the rates of preterm (PTB), small for gestational age (SGA), and low birth weight (LBW) births.

Methods English language randomized controlled trials and observational studies assessing the proposed outcomes after administration of influenza vaccine during pregnancy were screened. Observational studies were included if they presented adjusted measures and if the total number of women evaluated reached predefined thresholds. Sensitivity analyses were performed, including all published observational studies irrespectively of the sample size.

Results A total of 5 and 13 publications that assessed the impact of IIV and monovalent A/H1N1pdm09 vaccines, respectively, fulfilled the inclusion criteria for the main analyses. The rate of PTB and LBW was lower in women who received IIV during pregnancy compared with nonvaccinated women (odds ratio [OR]: 0.87; 95% confidence interval [CI]: 0.77, 0.98 for PTB and OR: 0.74; 95% CI: 0.61, 0.88 for LBW); and in women vaccinated with monovalent A/H1N1pdm09 versus nonvaccinated women (OR: 0.92; 95% CI: 0.85, 0.99 for PTB and OR: 0.88; 95% CI: 0.79, 0.98 for LBW). No significant impact of vaccination on SGA birth rates was detected in the main analyses independently of the vaccine group.

Conclusion Receipt of influenza vaccine during pregnancy was associated with a decreased risk of PTB and LBW.
What Is the Best Initial Empirical Treatment of Suspected Sepsis in a Newborn Readmitted Soon after Discharge Home in an Era of Increased Resistance to Antibiotics? A Report of Two Cases
Authors: Castagnola Elio , Gargiullo Livia , Renna Salvatore , Loy Anna , Risso Francesco , Moscatelli Andrea , Baldelli Ivana , Cangemi Giuliana , Bandettini Roberto
Published: September 2016

Background Colonization/infection by antibiotic-resistant bacteria is becoming a major threat to health care systems.

Case report Two septic neonates were readmitted in our hospital few days after hospital discharge. In both of them, microbiological workup revealed an infection caused by multiresistant pathogens. Noteworthy, one baby had received intensive care management for 4 weeks, whereas the other had been vaginally delivered and sent home on his second day of life.

Conclusion These cases suggest that in countries and/or hospital with high prevalence of colonization/infection by resistant pathogens in nurseries, neonatal intensive care units, and obstetric wards, the choice of initial therapy of suspected sepsis in a neonate readmitted from home soon after discharge should take into account the possibility of an infection due to a multiresistant pathogen.
Lactoferrin Levels in Human Milk after Preterm and Term Delivery
Authors: Albenzio Marzia , Santillo Antonella , Stolfi Ilaria , Manzoni Paolo , Iliceto Alice , Rinaldi Matteo , Magaldi Rosario
Published: September 2016

Background Lactoferrin (LF) is a highly represented, functional glycoprotein in human milk, exerting a wide range of anti-infective, immunomodulatory, and prebiotic actions in the neonate. Limited data are available assessing the concentrations and levels of LF in maternal milk over time during lactation in mothers who delivered infants at different GAs. Our aim with the present study was to determine the levels of LF in human milk from mothers of preterm and term infants and to evaluate the variations at a different time from delivery, in colostrum and mature milk.

Methods Mothers of preterm and term infants from the Neonatology Unit in Foggia, Italy, were approached and enrolled in this study. From each mother, milk samples were collected within the first 3 days after birth (group A, 0–72 hours), between the 5th and 7th day after delivery (group B, 120–168 hours), and after the 10th day (group C, > 240 hours). All milk samples were divided into five groups, according to the GA of the infants: 24 to 27.6 weeks of GA (I), 28 to 31.6 weeks of GA (II), 32 to 34.6 weeks of GA (III), 35 to 37.6 weeks of GA (IV), and > 38 weeks of GA (V). Milk samples were analyzed by sodium dodecyl sulfate-polyacrylamide gel electrophoresis to determine the content of LF.

Results A total of 84 milk samples were collected from 28 mothers. We found that infant's GA, as well as the time of sampling, affected the levels of LF in milk. On one hand, LF showed higher content in human milk from group I (GA: 24–27.6 weeks) compared with the other groups (p < 0.01), and the levels of LF in colostrum were significantly correlated with GA (r = −0.31; p < 0.05). On the other hand, the LF content of milk had a significant decreasing trend over time. Overall, the highest values of LF were detected in preterm infants' maternal milk with a baby birth weight, lower than 1,400 g. Approximately 350 µg/mL was identified as the mean, physiological LF content in human mature milk in our population.

Conclusions Levels of LF in human milk vary significantly over time during lactation and according to GA. This variability in the LF content of human milk may reflect the different needs of different infants during the early days and weeks of life. These data might help to inform models to design tailored supplementation strategies of LF in the nurseries and after home discharge.
Screening for Critical Congenital Heart Defects with Pulse Oximetry: Medical Aspects
Authors: Ewer Andrew
Published: September 2016

The detection of newborn babies with potentially life-threatening, critical congenital heart defects (CCHDs) before they collapse or expire remains an important clinical challenge. The absence of physical signs and the difficulty assessing mild cyanosis means that the newborn baby check misses up to a third of babies. Fetal anomaly ultrasound scanning identifies an increasing proportion, but this screen is operator-dependent and therefore highly variable; although some units report very high detection rates, overall most babies with CCHD are still missed. Pulse oximetry screening (POS) is an additional test that meets the criteria for universal screening. POS increases overall detection of CCHD to over 90% and also identifies babies with noncardiac, hypoxemic conditions (such as congenital pneumonia, early-onset sepsis, and pulmonary hypertension), which are usually included in the false positives. There is a wealth of published data on the POS, both in a research setting and more recently in routine clinical practice, and consideration of POS is becoming increasingly widespread particularly among high-income countries. But a degree of controversy still remains, and debate continues regarding the most appropriate time to screen, the most effective screening pathway, and screening outside the well-baby nursery. So, should all newborn babies be screened with POS, if so, when and where should screening take place, what saturations are acceptable, and which conditions are we trying to identify? This review will look at the available evidence and try to suggest the way forward for those considering its introduction into their clinical practice.
Mesenchymal Stromal Cell-Based Therapies for Chronic Lung Disease of Prematurity
Authors: Strueby Lannae , Thébaud Bernard
Published: September 2016

Advances in perinatal care allow the survival of ever more premature infants. By approaching the biological limit of viability, survival free of injury becomes more challenging. As a consequence, bronchopulmonary dysplasia (BPD), the chronic lung disease of prematurity, remains one of the main complications in infants born before 28 weeks' gestation. Currently, there is no treatment for BPD. Recent progress in understanding the biology of stem cells has opened unprecedented therapeutic options to mitigate lung injury and promote lung growth. Perinatal tissue, such as the umbilical cord and the placenta, represents a rich source of potent repair cells. Thus far, mesenchymal stromal cell (MSC)-based therapies demonstrate the most potential for protecting the developing lung from injury. Preclinical evidence supporting this potential therapeutic role has provided the basis for the initiation of phase I and II clinical trials in preterm neonates. This brief review summarizes the current knowledge accumulated over the past 10 years about MSCs and their repair potential in BPD.
EFSUMB Recommendations and Guidelines for Gastrointestinal Ultrasound - Part 1: Examination Techniques and Normal Findings (Long version)
Authors: Nylund Kim , Maconi Giovanni , Hollerweger Alois , Ripolles Tomas , Pallotta Nadia , Higginson Antony , Serra Carla , Dietrich Christoph , Sporea Ioan , Saftoiu Adrian , Dirks Klaus , Hausken Trygve , Calabrese Emma , Romanini Laura , Maaser Christian , Nuernberg Dieter , Gilja Odd
Published: September 2016

In October 2014 the European Federation of Societies for Ultrasound in Medicine and Biology formed a Gastrointestinal Ultrasound (GIUS) task force group to promote the use of GIUS in a clinical setting. One of the main objectives of the task force group was to develop clinical recommendations and guidelines for the use of GIUS under the auspices of EFSUMB. The first part, gives an overview of the examination techniques for GIUS recommended by experts in the field. It also presents the current evidence for the interpretation of normal sonoanatomical and physiological features as examined with different ultrasound modalities.
Persistent nonequilibrium dynamics of the thermal energies in the spin and phonon systems of an antiferromagnet
Authors: von Reppert A. , Pudell J. , Koc A. , Reinhardt M. , Leitenberger W. , Dumesnil K. , Zamponi F. , Bargheer M.
Published: September 2016

We present a temperature and fluence dependent Ultrafast X-Ray Diffraction study of a laser-heated antiferromagnetic dysprosium thin film. The loss of antiferromagnetic order is evidenced by a pronounced lattice contraction. We devise a method to determine the energy flow between the phonon and spin system from calibrated Bragg peak positions in thermal equilibrium. Reestablishing the magnetic order is much slower than the cooling of the lattice, especially around the Néel temperature. Despite the pronounced magnetostriction, the transfer of energy from the spin system to the phonons in Dy is slow after the spin-order is lost.
Short-term forecasting of solar photovoltaic output power for tropical climate using ground-based measurement data
Authors: Baharin Kyairul Azmi , Abdul Rahman Hasimah , Hassan Mohammad Yusri , Gan Chin Kim
Published: September 2016

This paper highlights a new approach using high-quality ground measured data to forecast the hourly power output values for grid-connected photovoltaic (PV) systems located in the tropics. A case study using the 1-year database consisting of PV power output, global irradiance, module temperature, and other relevant variables obtained from Universiti Teknikal Malaysia Melaka is used to develop forecast models for three typical weather conditions—clear, cloudy, and overcast sky conditions. A machine learning method (Support Vector Regression—SVR) and an Artificial Neural Network method (nonlinear autoregressive) are used to produce the models and the results are compared with a benchmark model using the persistence method. Comparison with all the variables suggests that tilted global horizontal irradiance (GHItilt) and module temperature (Tmod) are the essential input variables to forecast the PV power output. It has also been observed that SVR performs well across all types of sky conditions, with the forecasting skill values between 0.65 and 0.79 when compared to the benchmark persistence method.
Design of the klystron filament power supply control system for EAST LHCD
Authors: Wu Zege , Wang Mao , Hu Huaichuan , Ma Wendong , Zhou Taian , Zhou Faxin , Liu Fukun , Shan Jiafang
Published: September 2016

A filament is a critical component of the klystron used to heat the cathode. There are totally 44 klystrons in experimental advanced superconducting tokamak (EAST) lower hybrid current drive (LHCD) systems. All klystron filaments are powered by AC power suppliers through isolated transformers. In order to achieve better klystron preheat, a klystron filament power supply control system is designed to obtain the automatic control of all filament power suppliers. Klystron filament current is measured by PLC and the interlock between filament current and klystron high voltage system is also implemented. This design has already been deployed in two LHCD systems and proves feasible completely.
Threading dislocation movement in AlGaN/GaN-on-Si high electron mobility transistors under high temperature reverse bias stressing
Authors: Sasangka W. A. , Syaranamual G. J. , Made R. I. , Thompson C. V. , Gan C. L.
Published: September 2016

Dislocations are known to be associated with both physical and electrical degradation mechanisms of AlGaN/GaN-on-Si high electron mobility transistors (HEMTs). We have observed threading dislocation movement toward the gate-edges in AlGaN/GaN-on-Si HEMT under high reverse bias stressing. Stressed devices have higher threading dislocation densities (i.e. ∼5 × 109/cm2) at the gate-edges, as compared to unstressed devices (i.e. ∼2.5 × 109/cm2). Dislocation movement correlates well with high tensile stress (∼1.6 GPa) at the gate-edges, as seen from inverse piezoelectric calculations and x-ray synchrotron diffraction residual stress measurements. Based on Peierls stress calculation, we believe that threading dislocations move via glide in 〈112¯0〉/{11¯00} and 〈112¯0〉/{11¯01} slip systems. This result illustrates the importance of threading dislocation mobility in controlling the reliability of AlGaN/GaN-on-Si HEMTs.
Analysis and experimental study on the effect of a resonant tube on the performance of acoustic levitation devices
Authors: Jiang Hai , Liu Jianfang , Lv Qingqing , Gu Shoudong , Jiao Xiaoyang , Li Minjiao , Zhang Shasha
Published: September 2016

The influence of a resonant tube on the performance of acoustic standing wave-based levitation device (acoustic levitation device hereinafter) is studied by analyzing the acoustic pressure and levitation force of four types of acoustic levitation devices without a resonance tube and with resonance tubes of different radii R using ANSYS and MATLAB. Introducing a resonance tube either enhances or weakens the levitation strength of acoustic levitation device, depending on the resonance tube radii. Specifically, the levitation force is improved to a maximum degree when the resonance tube radius is slightly larger than the size of the reflector end face. Furthermore, the stability of acoustic levitation device is improved to a maximum degree by introducing a resonance tube of R=1.023λ. The experimental platform and levitation force measurement system of the acoustic levitation device with concave-end-face-type emitter and reflector are developed, and the test of suspended matters and liquid drops is conducted. Results show that the Φ6.5-mm steel ball is suspended easily when the resonance tube radius is 1.023λ, and the Φ5.5-mm steel ball cannot be suspended when the resonance tube radius is 1.251λ. The levitation capability of the original acoustic levitation device without a resonance tube is weakened when a resonance tube of R=1.251λ is applied. These results are consistent with the ANSYS simulation results. The levitation time of the liquid droplet with a resonance tube of R=1.023λ is longer than without a resonance tube. This result is also supported by the MATLAB simulation results. Therefore, the performance of acoustic levitation device can be improved by introducing a resonant tube with an appropriate radius.
Interactions of Anionic and Neutral Serine with Pure and Metal-doped Graphene Studied by Density Functional Theory
Authors: Wang Qun , Wang Meng-hao , Wang Ke-feng , Zhao Yong-chi , Wang Wei-li , Zhang Li-ping
Published: September 2016

We present a theoretical study of interactions of anionic and neutral serine (Ser) on pure or metal-doped graphene surfaces using density functional theory calculations. Interactions of both types of Ser with the pure graphene surface show weak non-covalent interactions due to the formation of -COOH⋯ π, -COO− ⋯ π, and -OH⋯ π interactions. On metal-doped graphene, covalent interactions to the surface dominate, due to the formation of strong metal–O and O–metal–O interactions. Furthermore, the doped Fe, Cr, Mn, Al, or Ti enhances the ability of graphene to attract both types of Ser by a combination of the adsorption energy, the density of states, the Mulliken atomic charges, and differences of electron density. At the same time, the interaction strengths of anionic Ser on various graphene surfaces are stronger than those of neutral Ser. These results provide useful insights for the rational design and development of graphene-based sensors for the two forms of Ser by introducing appropriate doped atoms. Ti and Fe are suggested to be the best choices among all doped atoms for the anionic Ser and neutral Ser, respectively.
Assessment of Contemporary Theoretical Methods for Bond Dissociation Enthalpies
Authors: Li Lu , Fan Hong-jun , Hu Hao-quan
Published: September 2016

The density functional theory (DFT) is the most popular method for evaluating bond dissociation enthalpies (BDEs) of most molecules. Thus, we are committed to looking for alternative methods that can balance the computational cost and higher precision to the best for large systems. The performance of DFT, double-hybrid DFT, and high-level composite methods are examined. The tested sets contain monocyclic and polycyclic aromatic molecules, branched hydrocarbons, small inorganic molecules, etc. The results show that the mPW2PLYP and G4MP2 methods achieve reasonable agreement with the benchmark values for most tested molecules, and the mean absolute deviations are 2.43 and 1.96 kcal/mol after excluding the BDEs of branched hydrocarbons. We recommend the G4MP2 is the most appropriate method for small systems (atoms number≤20); the double-hybrid DFT methods are advised for large aromatic molecules in medium size (20≤atoms number≤50), and the double-hybrid DFT methods with empirical dispersion correction are recommended for long-chain and branched hydrocarbons in the same size scope; the DFT methods are advised to apply for large systems (atoms number≥50), and the M06-2X and B3P86 methods are also favorable. Moreover, the differences of optimized geometry of different methods are discussed and the effects of basis sets for various methods are investigated.
Construction and Evaluation of Merged Pharmacophore Based on Peroxisome Proliferator Receptor-Alpha Agonists
Authors: Qiao Lian-sheng , He Yu-su , Huo Xiao-qian , Jiang Lu-di , Chen Yan-kun , Chen Xi , Zhang Yan-ling , Li Gong-yu
Published: September 2016

Pharmacophore is a commonly used method for molecular simulation, including ligand-based pharmacophore (LBP) and structure-based pharmacophore (SBP). LBP can be utilized to identify active compounds usual with lower accuracy, and SBP is able to use for distinguishing active compounds from inactive compounds with frequently higher missing rates. Merged pharmacophore (MP) is presented to integrate advantages and avoid shortcomings of LBP and SBP. In this work, LBP and SBP models were constructed for the study of peroxisome proliferator receptor-alpha (PPARα) agonists. According to the comparison of the two types of pharmacophore models, mainly and secondarily pharmacological features were identified. The weight and tolerance values of these pharmacological features were adjusted to construct MP models by single-factor explorations and orthogonal experimental design based on SBP model. Then, the reliability and screening efficiency of the best MP model were validated by three databases. The best MP model was utilized to compute PPARα activity of compounds from traditional Chinese medicine. The screening efficiency of MP model outperformed individual LBP or SBP model for PPARα agonists, and was similar to combinatorial screening of LBP and SBP. However, MP model might have an advantage over the combination of LBP and SBP in evaluating the activity of compounds and avoiding the inconsistent prediction of LBP and SBP, which would be beneficial to guide drug design and optimization.
Multiple Plasmonic Resonances and Cascade Effect in Asymmetrical Ag Nanowire Homotrimer
Authors: Li Yue , Fei GuangTao , Xu Shao-hui , Shang Guo-liang , Ouyang Hao-miao , Zhang Li-de
Published: September 2016

Plasmonic Ag nanowire homotrimer with asymmetrical radii and separations, which exhibits characteristics of multiple plamonic resonances and different electric field distributions, is systematically investigated by means of 2D finite element method. It was found that the dark and bright modes appear in asymmetrical nanowire homotrimer. In addition, when the dark modes appear between the smaller radii of the nanowires, the cascade effect results in enhanced electric field between the smaller radii nanowires. As a result of the appearance of the bright modes between the smaller radii of the nanowires, the restriction of the cascade effect generates enhanced electric field between the bigger nanowires.
Theoretical Study on Mechanism and Kinetics of Reaction of O(3P) with Propane
Authors: Jing Fu-qiang , Cao Jian-wei , Liu Xiao-jun , Hu Yu-feng , Ma Hai-tao , Bian Wen-sheng
Published: September 2016

The reaction of C3H8+O(3P)→C3H7+OH is investigated using ab initio calculation and dynamical methods. Electronic structure calculations for all stationary points are obtained using a dual-level strategy. The geometry optimization is performed using the unrestricted second-order Møller-Plesset perturbation method and the single-point energy is computed using the coupled-cluster singles and doubles augmented by a perturbative treatment of triple excitations method. Results indicate that the main reaction channel is C3H8+O(3P)→i-C3H7+OH. Based upon the ab initio data, thermal rate constants are calculated using the variational transition state theory method with the temperature ranging from 298 K to 1000 K. These calculated rate constants are in better agreement with experiments than those reported in previous theoretical studies, and the branching ratios of the reaction are also calculated in the present work. Furthermore, the isotope effects of the title reaction are calculated and discussed. The present work reveals the reaction mechanism of hydrogen-abstraction from propane involving reaction channel competitions is helpful for the understanding of propane combustion.
Divergent genotypes for fatness or residual feed intake in Angus cattle. 3. Performance of mature cows
Authors: Copping K. J. , Accioly J. M. , Deland M. P. B. , Edwards N. J. , Graham J. F. , Hebart M. L. , Herd R. M. , Jones F. M. , Laurence M. , Lee S. J. , Speijers E. J. , Pitchford W. S.
Published: September 2016

This experiment evaluated the productivity of 500 Angus cows that differed in genetic merit for either subcutaneous rib fat depth (Fat) or residual feed intake (RFI) based on estimated breeding values (EBVs) and managed under two levels of nutrition. Reproductive rate over four calving opportunities in mature cows and growth performance of progeny to weaning was assessed. Level of nutrition significantly affected all body composition traits for both Fat and RFI line cows. Cows on High-Nutrition were 14–16% heavier (P < 0.001) than those on Low-Nutrition. Differences in EBVs for fatness were reflected in phenotypic fatness at maturity. High-RFI line cows were fatter for both scanned rump (P8) and rib (RIB) fat depth relative to their Low-RFI contemporaries. Of those cows that were lactating, there was no significant effect of line or nutrition on pregnancy rate or days to calving (DC). There was, however, a trend (P < 0.1) in the Low-Fat line cows towards longer DC compared with the High-Fat line cows. There was no significant effect of either line or nutrition on calf birthweight. Calves with mothers on High-Nutrition were 8% heavier at weaning (P < 0.001) than those on Low-Nutrition. Lower EBVs for RFI was associated with higher 200-day growth EBV and heavier calves at weaning. Current carcass BREEDPLAN EBVs can be used to select for changes in cow body composition if desired. In this experiment, Angus cows selected for lower RFI or with below-average fatness EBV and had raised a calf at every previous opportunity were not compromised in pregnancy rate or DC at maturity under varying nutrition such as can be experienced during normal seasonal conditions in southern Australia. However, selection for lower RFI was associated with lower weaning rate (P < 0.05), which warrants further investigation to confidently predict the implications for commercial cattle production.
Endocyclic and Endo–Exocyclic Silver(I) Complexes of Thiaoxaaza Macrocycles: Crystallographic and NMR Studies
Authors: Kang Yunji , Lee Hyeong-Hwan , Ju Huiyeong , Lee Eunji , Kim Seulgi , Lee Joon-Hwa , Park In-Hyeok , Lee Shim Sung
Published: September 2016

A comparative investigation of the coordination behaviour of a 19-membered NO2S2-macrocycle (L1) and a 20-membered NO2S3-macrocycle (L2) is reported. On silver(i) complexation, L1 yields a discrete endocyclic mononuclear complex, whereas L2 affords a one-dimensional coordination polymer in which the endo-coordinated macrocyclic complex units are linked by silver(i) ions outside the cavity via endo–exo-coordination. The larger ring cavity along with the flexible nature of L2 may induce the weaker endocyclic complexation and contribute to exocyclic coordination as well. In NMR titration studies for the corresponding complex system, however, no evidence of exocyclic coordination was observed. Instead, L1 and L2 form a stable endocyclic 1 : 1 silver(i) nitrate complex, with a higher affinity for the former ligand.
Prolonged activation of innate antiviral gene signature after childbirth is determined byIFNL3genotype
Authors: Price Aryn A. , Tedesco Dana , Prasad Mona R. , Workowski Kimberly A. , Walker Christopher M. , Suthar Mehul S. , Honegger Jonathan R. , Grakoui Arash
Published: September 2016

Significance

In this study, we examined the possibility that the maternal innate immune system is modulated following delivery. We identified an interferon-stimulated gene signature that was primarily expressed in CD14+cells circulating in the peripheral blood. Postpartum antiviral gene expression depended on the interferon-λ3 (IFNL3) single-nucleotide polymorphism rs12979860, which suggests thatIFNL3genotype may influence a mother’s innate immune response following delivery.
Magnetite pollution nanoparticles in the human brain
Authors: Maher Barbara A. , Ahmed Imad A. M. , Karloukovski Vassil , MacLaren Donald A. , Foulds Penelope G. , Allsop David , Mann David M. A. , Torres-Jardón Ricardo , Calderon-Garciduenas Lilian
Published: September 2016

Significance

We identify the abundant presence in the human brain of magnetite nanoparticles that match precisely the high-temperature magnetite nanospheres, formed by combustion and/or friction-derived heating, which are prolific in urban, airborne particulate matter (PM). Because many of the airborne magnetite pollution particles are <200 nm in diameter, they can enter the brain directly through the olfactory nerve and by crossing the damaged olfactory unit. This discovery is important because nanoscale magnetite can respond to external magnetic fields, and is toxic to the brain, being implicated in production of damaging reactive oxygen species (ROS). Because enhanced ROS production is causally linked to neurodegenerative diseases such as Alzheimer’s disease, exposure to such airborne PM-derived magnetite nanoparticles might need to be examined as a possible hazard to human health.
Nonlinear, interacting responses to climate limit grassland production under global change
Authors: Zhu Kai , Chiariello Nona R. , Tobeck Todd , Fukami Tadashi , Field Christopher B.
Published: September 2016

Significance

Global environmental change involves many factors that occur simultaneously, yet they are usually studied in isolation. Here we report a long-term global change experiment that subjected California grassland to multiple individual and simultaneous changes in temperature, precipitation, carbon dioxide, and nitrogen. Our analysis revealed nonlinear and interactive effects of temperature and precipitation on grassland net primary production (NPP), which defined a ridge-shaped NPP response surface to these two variables. Added nitrogen raised the peak of the NPP response surface, and added CO
2
shifted the peak to lower temperatures. Our approach was validated by tests showing an absence of progressive effects over the years. In other ecosystems, our approach may be similarly powerful for probing the effects of multifactor global change.
Men’s status and reproductive success in 33 nonindustrial societies: Effects of subsistence, marriage system, and reproductive strategy
Authors: von Rueden Christopher R. , Jaeggi Adrian V.
Published: September 2016

Significance

Much of human behavior results from a desire for social status. From an evolutionary perspective, answering the question of why we pursue status must consider how status affects reproduction, especially in nonindustrial societies with natural fertility. In a metaanalysis of 288 results from 33 nonindustrial populations, we find that status is significantly associated with men’s reproductive success, consistent with an evolved basis for status pursuit. Status hierarchies have changed dramatically throughout human history, yet we find that the association between status and reproductive success does not depend on subsistence category (foraging, horticulture, pastoralism, agriculture) or how status is measured. These findings suggest no significant increase in selection on status-enhancing traits with the domestication of plants and animals.
Report on APMP key comparison: calibration of angle standards
Authors: Kang C -S , Kruger O A , Cox P , Xue Z , Liou P , Wong S Y , Chaudhary K P , Alfiyati N , Watanabe T , Eom T , Halim R M , Tan S L , Tonmueanwai A , Dibo M
Published: September 2016

A regional key comparison, APMP.L-K3 (calibration of angle standards) was held in 2005.

Thirteen National Metrology Institutes (NMISA, NMIA, KRISS, NMIJ/ AIST, NMC/ A*STAR, NIMT, SCL, CMS/ ITRI, NPLI, RCM- LIPI, NIM, and NSCL) have participated in this comparison and the measurements were carried out during the period from April 2005 to December 2007.

This report describes the measurement results of a 12-sided optical polygon with nominal angles of 30°, and four angle blocks with nominal angles of 5 arc seconds, 5 minutes, 30 minutes and 5 degrees, respectively.

Main text

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/.

The final report has been peer-reviewed and approved for publication by the CCL, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Activity measurements of the radionuclide 99mTc for the VNIIM, Russian Federation and ENEA-INMRI, Italy, in the ongoing comparison BIPM.RI(II)-K4.Tc-99m and KCRV update in the BIPM.RI(II)-K1.Tc-99m comparison
Authors: Michotte C , Nonis M , Alekseev I V , Kharitonov I A , Tereshchenko E E , Zanevskiy A V , Capogni M , De Felice P , Fazio A , Carconi P
Published: September 2016

In 2014, comparisons of activity measurements of 99mTc using the Transfer Instrument of the International Reference System (SIRTI) took place at the VNIIM (Russian Federation) and at the ENEA-INMRI (Italy), with comparison identifier BIPM.RI(II)-K4.Tc-99m. Ampoules containing about 32 kBq of 99mTc solutions were measured in the SIRTI for three half-lives. There are now nine results in the BIPM.RI(II)-K4.Tc-99m comparison. This comparison is linked to the BIPM.RI(II)-K1.Tc-99m comparison and the key comparison reference value (KCRV) of the BIPM.RI(II)-K1.Tc-99m has been updated to include eligible results from BIPM.RI(II)-K4.Tc-99m. The degrees of equivalence between each equivalent activity measured in the SIR or the SIRTI and the KCRV have been calculated and the results are given in the form of a table. A graphical presentation is also given.

Main text

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/.

The final report has been peer-reviewed and approved for publication by the CCRI, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Contact inhibition of locomotion and mechanical cross-talk between cell–cell and cell–substrate adhesion determine the pattern of junctional tension in epithelial cell aggregates
Authors: Coburn Luke , Lopez Hender , Caldwell Benjamin J. , Moussa Elliott , Yap Chloe , Priya Rashmi , Noppe Adrian , Roberts Anthony P. , Lobaskin Vladimir , Yap Alpha S. , Neufeld Zoltan , Gomez Guillermo A.
Published: September 2016

We used a computational approach to analyze the biomechanics of epithelial cell aggregates—islands, stripes, or entire monolayers—that combines both vertex and contact-inhibition-of-locomotion models to include cell–cell and cell–substrate adhesion. Examination of the distribution of cell protrusions (adhesion to the substrate) in the model predicted high-order profiles of cell organization that agree with those previously seen experimentally. Cells acquired an asymmetric distribution of basal protrusions, traction forces, and apical aspect ratios that decreased when moving from the edge to the island center. Our in silico analysis also showed that tension on cell–cell junctions and apical stress is not homogeneous across the island. Instead, these parameters are higher at the island center and scale up with island size, which we confirmed experimentally using laser ablation assays and immunofluorescence. Without formally being a three-dimensional model, our approach has the minimal elements necessary to reproduce the distribution of cellular forces and mechanical cross-talk, as well as the distribution of principal stress in cells within epithelial cell aggregates. By making experimentally testable predictions, our approach can aid in mechanical analysis of epithelial tissues, especially when local changes in cell–cell and/or cell–substrate adhesion drive collective cell behavior.