bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigations of anharmonic effects via phonon mode variations in nanocrystalline Dy2O3, Gd2O3 and Y2O3
Authors: Dilawar Sharma Nita , Singh Jasveer , Vijay Aditi , Samanta K. , Dogra Pandey Sugandha 
Published: March 2017

The nanocrystalline rare earth sesquioxides Dy2O3, Gd2O3 and Y2O3 have been investigated for anharmonic effects in the temperature range 80–440 K using Raman spectroscopy. These samples were cubic in structure under ambient conditions with particle sizes in nano‐range. The predominant Tg + Ag phonon modes of the samples primarily exhibited phonon softening in the investigated temperature range. However, the line width variations clearly reflected the variations in the effects of anharmonicity on these samples, and the related anharmonic constants were estimated. The mode Grüeneisen parameters required for these studies were deduced from our own high‐pressure data for these samples reported earlier. The line width variations for these samples were found to display similar trends; however, their magnitudes were indicative of the factors that are expected to contribute to the variation in phonon behaviour. Copyright © 2017 John Wiley & Sons, Ltd.
Standoff spatial heterodyne Raman spectrometer for mineralogical analysis
Authors: Egan Miles Jacob , Angel S. M. , Sharma Shiv K. 
Published: March 2017

Raman spectroscopy is ideally suited for planetary exploration because of its ability to unambiguously identify minerals, organic compounds, and biomarkers. Traditionally, Raman spectra were acquired with grating‐based dispersive spectrometers that require tens of micrometer‐sized entrance slits and thus limited light throughput. Recently, we have evaluated a new type of Fourier transform Raman spectrometer, the spatial heterodyne Raman spectrometer that provides high spectral resolution in a compact system without limiting light throughput. In this work, we present time‐resolved Raman spectra of carbonate, sulfate, and silicate minerals, including low Raman scattering efficiency olivine and feldspar minerals, in the 100–1260 cm−1 Raman fingerprint region with spatial heterodyne Raman spectrometer using 1.5‐cm‐diameter pulsed 532.078‐nm Nd:YAG laser beam. Copyright © 2017 John Wiley & Sons, Ltd.
Novel VECSEL for short‐wave infrared Raman spectroscopy applications
Authors: P. Santos I. , van der Lee A. , Gu X. , Caspers P. J. , Bakker Schut T. C. , van Doorn R. , Noordhoek Hegt V. , Koljenović S. , Puppels G. J. 
Published: March 2017

Raman spectroscopy of pigmented samples can be problematic owing to strong laser‐induced auto‐fluorescence. Moving the laser excitation more into the near‐infrared region (>900 nm) and detection to the short‐wave infrared region (SWIR) (1200–1600 nm) significantly decreases laser‐induced‐fluorescence for many pigmented samples. However, conventional near‐infrared diode‐lasers suitable for Raman spectroscopy are expensive. Vertical‐external‐cavity surface‐emitting lasers (VECSELs) are an interesting alternative laser source for Raman spectroscopy. VECSELs offer a narrow linewidth, high power stability, good power efficiency and circular beam profile characteristics, and their wavelength can be engineered over a broad range in the near‐infrared. In addition, they offer the potential of low‐cost mass production, and they are small in size. We developed a 986‐nm VECSEL for a specific biomedical application (Raman measurements of pigmented skin lesions). We implemented and tested the feasibility of the novel 986‐nm VECSEL in a SWIR multi‐channel Raman spectroscopy instrument. We have characterized the VECSEL in relation to the requirements set by this biomedical application and have demonstrated for the first time Raman spectra of pigmented skin lesion with a VECSEL in the SWIR region. Our results show that the VECSEL fulfils the requirements of a laser source to be applied in Raman spectroscopy. This opens the possibility of using VECSELs for low‐cost compact hand‐held Raman spectroscopy applications. Copyright © 2017 John Wiley & Sons, Ltd.
Conventional and standoff pulsed laser–Raman–echelle–time‐gated (PRET) system
Authors: K. M. Muhammed Shameem , Tamboli M. M. , Devangad Praveen , V. K. Unnikrishnan , George Sajan D. , Kartha V. B. , C. Santhosh 
Published: March 2017

Time‐gated Raman system has been assembled using a pulsed laser and high‐resolution echelle spectrograph. Echelle spectrograph provides broad spectral band‐pass of 0–8500 cm−1 in a single scan with a resolution of 1.75 cm−1 for 532 nm at an extremely small slit width of 10 μm. Advantages of gated mode detection over continuous‐wave mode detection are improved signal‐to‐noise ratio, reduced background signal, and unwanted fluorescent emission. Feasibility of echelle spectrograph for Raman measurements has been tested for both conventional and standoff distance of 5 m with all the external illumination sources on. The echelle system provides high‐quality Raman signals with an extremely low inherent bandwidth in solid and liquid samples, (~8 cm−1) for 478 cm−1 fundamental band of sulfur. Intensity ratio of e2 fundamental to a1 fundamental of conventional and remote Raman measurements indicates that the spectral features remain the same in both measurements. The advantages of ‘time‐gated’ Raman compared with continuous‐wave mode detection, like low background even under extraneous illumination and lowered fluorescence, are also illustrated with spectrum of sulfur taken in the two modes. Copyright © 2017 John Wiley & Sons, Ltd.
Ab initio simulations and experimental Raman spectra of Mg2SiO4 forsterite to simulate Mars surface environmental conditions
Authors: Stangarone C. , Böttger U. , Bersani D. , Tribaudino M. , Prencipe M. 
Published: March 2017

In this study, we present the full Raman vibrational spectrum of forsterite (Mg2SiO4), computed from first principles, employing a hybrid HF/density functional theory Hamiltonian (WC1LYP) as implemented in the CRYSTAL14 code, at static equilibrium and at the temperatures of 0, 300 and 1000 K. The simulations are compared with the available literature data, confirming the accuracy of the calculations, and to experimental Raman spectra taken at room temperature on a natural sample of forsterite (Mg1.76 Fe0.22 SiO4), to test the effect of compositions on the reliability of a comparison between a computed spectrum for the end member and the experimental spectrum on a real sample having a slightly different compositions. The comparison with the experimental data at room temperature shows a very good agreement (an average discrepancy of 7 cm−1), and it allows a reliable symmetry assignment of Raman signals to specific vibrational modes. Spectra are also simulated by changing the mass of the nuclei for each of the six symmetry‐independent species within the unit to quantify the contributions of each element to the overall vibration. The aim is not only to relate the major experimental peaks to specific structural features but also to link them to the Raman shifts observed because of both temperature and composition variation. Moreover, so as to foresee the possible response of Raman spectra to the different environmental conditions occurring on planetary surfaces, i.e. Mars, we calculate full Raman spectra at 0, 300 and 1000 K including zero point vibrational effects, within the limit of the quasi‐harmonic approximation. These results may be useful to widen a Raman database and provide new clues to improve the interpretation of data acquisitions during the 2020 ExoMars mission, which will carry on board a Raman Laser Spectrometer. Copyright © 2017 John Wiley & Sons, Ltd.
Phytoplankton species richness, evenness, and production in relation to nutrient availability and imbalance
Authors: Lehtinen Sirpa , Tamminen Timo , Ptacnik Robert , Andersen Tom 
Published: March 2017

AbstractWe used natural phytoplankton communities from four coastal regions to test diversity‐functioning relationships, relations of N2‐fixing cyanobacteria to nutrient imbalance, and the importance of metacommunity dynamics. Resource availability was measured as total nitrogen and phosphorus. Resource imbalance was determined as (1) the ratio of dissolved inorganic nitrogen to total phosphorus and (2) an experimentally verified indicator quantified by modelling responses in 14C‐based primary production to nutrient additions. Resource availability explained variance in biomass, productivity, and species richness, as expected by the Species Energy Theory, but not evenness. Linear mixed‐effects models confirmed the overall relation between productivity and resource availability, whereas other resource availability relations showed also notable clustering by region. The Resource Ratio Theory predicting that diversity increases with the number of limiting resources was not supported. Nutrient imbalance had a weak effect on the biomass of N2‐fixing cyanobacteria, but not their share of total phytoplankton biomass. Contrary to many previous studies on biodiversity‐ecosystem functioning relationships, we found a highly significant inverse relationship between evenness and biomass. This indicates that species‐rich natural phytoplankton communities form the basis for opportunistic species to temporarily monopolize resources and create blooms. The result was consistent across regions, although their community composition differed. Metacommunity dynamics were important, since distance between the regions explained higher percentage of the variability than local resources together. As the species able to monopolize resources vary widely in their role for aquatic food webs and environmental consequences (e.g., food quality, toxicity), species‐level trait data is essential to understand better diversity‐productivity relationships.
A soft‐computing ensemble approach (SEA) to forecast Indian summer monsoon rainfall
Authors: Kurian Nisha , Venugopal T. , Singh Jatin , Ali M. M. 
Published: March 2017

ABSTRACTAgriculture is the backbone of the Indian economy and contributes ∼16% of gross domestic product and about 10% of total exports. Hence, accurate and timely forecasting of monthly Indian summer monsoon rainfall is very much in demand for economic planning and agricultural practices. Several methods and models, comprising dynamic and statistical models and combinations of the two, exist for monsoon forecasting. Here, a multi‐model ensemble approach, combined with an artificial neural networking technique, was used to develop a soft‐computing ensemble algorithm (SEA) to forecast the monthly and seasonal rainfall over the Indian subcontinent. Forecasts using January to May initial conditions along with observations during 1982–2014 were used to develop the model. The SEA compares well with observations.
Automatic Synthesis of Multimodal Polymers
Authors: Leonardi R. Natalie C. , Montgomery Rick D. , Siqueira Julia , McAfee Terry , Drenski Michael F. , Reed Wayne F. 
Published: March 2017

An automatic molecular weight controller is used in semi‐batch reactions to produce final polymers that contain distinct subpopulations with different molecular weight distributions (MWD). While blending polymers with different MWD is frequently used to make multimodal polymer products, a method is introduced here allowing the multimodal product to be made in successive, automatically controlled stages in the same reactor. The method is demonstrated using free radical polymerization of acrylamide to produce widely separated multimodal MWD. Automatic Continuous Online Monitoring of Polymerization reactions with a Control Interface (ACOMP/CI) was used. Weight average molecular weight (Mw) in the ACOMP/CI was continuously measured with multi‐angle light scattering and ultra‐violet absorption. The controller used two principles: both polymerization rate and instantaneous molecular weight are proportional to monomer concentration. By controlling monomer flow rate into the reactor, the controller produced a targeted amount of polymer with a desired first Mw and then automatically introduced chain transfer agent (CTA) into the reactor to produce a second population of polymers with much lower Mw. Subsequently, reactions were performed to produce trimodal populations. This approach is kindred to multi‐stage synthesis of polymers where distinctly different processes are carried out in succeeding stages to produce polymers with highly specific properties.
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In vitro and in silico assessment of RF‐induced heating around intracranial aneurysm clips at 7 Tesla
Authors: Noureddine Yacine , Kraff Oliver , Ladd Mark E. , Wrede Karsten H. , Chen Bixia , Quick Harald H. , Schaefers Gregor , Bitz Andreas K. 
Published: March 2017

PurposeTo examine radiofrequency‐induced tissue heating around intracranial aneurysm clips during a 7 Tesla (T) head MR examination.MethodsRadiofrequency (RF), temperature simulations, and RF measurements were employed to investigate the effects of polarization and clip length on the electric field (E‐field) and temperature. Heating in body models was studied using both a conservative approach and realistic exposure scenarios.ResultsWorst‐case orientation was found for clips aligned parallel to the E‐field polarization. Absolute tissue temperature remained below International Electrotechnical Commission regulatory limits for 44 of 50 clinical scenarios. No significant effect on heating was determined for clip lengths below 18.8 mm, and worst‐case heating was found for clip length 51.5 mm. The conservative approach led to a maximum permissible E‐field of 72 V/m corresponding to
of 1.2 µT, and an accepted power of 4.6 W for the considered RF head coil instead of 38.5 W without clip.ConclusionSafe scanning conditions with respect to RF‐induced heating can be applied depending on the information about the clip gained during screening interviews. However, force and torque measurements in the MR system shall be conducted to give a final statement on the MR safety of aneurysm clips at 7T. Magn Reson Med 79:568–581, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
Six‐year multi‐centre, observational, post‐marketing surveillance of the safety of the HPV‐16/18 AS04‐adjuvanted vaccine in women aged 10–25 years in Korea
Authors: Kim Chul‐Jung , Song Rok , Chen Jing , Tavares Da Silva Fernanda , Gopala Kusuma B. , Kim Joon Hyung , Bi Dan , Park Jong Sup 
Published: March 2017

AbstractPurposeTo evaluate the safety of HPV‐16/18 AS04‐adjuvanted vaccine when administered as per the PI in Korea.MethodsA total of 3084 women aged 10–25 years were enrolled in this post‐marketing surveillance from 2008 to 2014. Subjects were invited to receive three doses of the vaccine (0, 1 and 6 months), and participants who received at least one dose were included in the analysis. Adverse events (AEs), adverse drug reactions (ADRs) and serious AEs (SAEs) were recorded after each dose. All AEs, ADRs and SAEs were presented with exact 95% confidence intervals (CI) (NCT01101542).ResultsInjection‐site pain was the most frequent AE and ADR reported by 322 subjects (10.4% [95%CI: 9.4–11.6]); the local pain was transient and lasted 4–7 days in most cases. Dysmenorrhoea and vaginitis were the most common unexpected AEs reported by 30 (1.0% [95%CI: 0.7–1.4]) and 16 subjects (0.7% [95%CI: 0.3–0.8]), respectively. Pain (toe pain, leg pain and body pain [one case each]; foot pain [two cases]) was the most common unexpected ADR reported by five subjects (0.2% [95%CI: 0.1–0.4]). Four subjects reported a single SAE (one case each of exostosis, gastroenteritis, abortion and tonsillitis); none were fatal. All SAEs were assessed as unlikely to be related to vaccination; gastroenteritis, exostosis and tonsillitis resolved during the study period.ConclusionsThis is the first post‐marketing surveillance study in Korea that provides 6‐year safety data for HPV‐16/18 AS04‐adjuvanted vaccine. The vaccine showed an acceptable safety profile and favourable benefit/risk ratio when given to women aged 10–25 years in Korea. © 2017 The Authors. Pharmacoepidemiology & Drug Safety Published by John Wiley & Sons Ltd.
Predicting the effect of treatment in paediatric OSA by clinical examination and functional respiratory imaging
Authors: Slaats Monique , Vos Wim , Van Holsbeke Cedric , De Backer Jan , Loterman Dieter , De Backer Wilfried , Boudewyns An , Verhulst Stijn 
Published: March 2017

AbstractOBJECTIVEThe aim of this study was to investigate whether functional respiratory imaging (FRI) or clinical examination could predict treatment outcome for obstructive sleep apnea (OSA) in normal‐weight, non‐syndromic children.METHODSNormal weight children diagnosed with OSA by polysomnography were prospectively included. All children got a thorough evaluation and an ultra‐low dose computed tomography scan of the upper airway (UA). A 3‐D reconstruction was built combined with computational fluid dynamics for FRI. Decisions on the need and type of surgery were based upon findings during drug‐induced sleep endoscopy. A second polysomnography was performed 3‐12 months after surgery.RESULTSNinety‐one children were included: 62 boys, 5.0 ± 2.7 years, and BMI z‐score of −0.1 ± 1.2. Children with more severe OSA had a smaller volume of the overlap region between the adenoids and tonsils. Nineteen out of 60 patients had persistent OSA (oAHI >2/h). A lower conductance in the UA and a higher tonsil score predicted successful treatment.CONCLUSIONSA less constricted airway, as characterized by both FRI and a lower tonsil score, was associated with a less favorable response to (adeno) tonsillectomy. Further studies after treatment using FRI and DISE are warranted to further characterize the UA of these subjects.
Glyphosate resistance in Ambrosia trifida: Part 1. Novel rapid cell death response to glyphosate
Authors: Van Horn Christopher R , Moretti Marcelo L , Robertson Renae R , Segobye Kabelo , Weller Stephen C , Young Bryan G , Johnson William G , Schulz Burkhard , Green Amanda C , Jeffery Taylor , Lespérance Mackenzie A , Tardif François J , Sikkema Peter H , Hall J Christopher , McLean Michael D , Lawton Mark B , Sammons R Douglas , Wang Dafu , Westra Philip , Gaines Todd A 
Published: March 2017

AbstractBACKGROUNDGlyphosate‐resistant (GR) Ambrosia trifida is now present in the midwestern United States and in southwestern Ontario, Canada. Two distinct GR phenotypes are known, including a rapid response (GR RR) phenotype, which exhibits cell death within hours after treatment, and a non‐rapid response (GR NRR) phenotype. The mechanisms of resistance in both GR RR and GR NRR remain unknown. Here, we present a description of the RR phenotype and an investigation of target‐site mechanisms on multiple A. trifida accessions.RESULTSGlyphosate resistance was confirmed in several accessions, and whole‐plant levels of resistance ranged from 2.3‐ to 7.5‐fold compared with glyphosate‐susceptible (GS) accessions. The two GR phenotypes displayed similar levels of resistance, despite having dramatically different phenotypic responses to glyphosate. Glyphosate resistance was not associated with mutations in EPSPS sequence, increased EPSPS copy number, EPSPS quantity, or EPSPS activity.CONCLUSIONThese encompassing results suggest that resistance to glyphosate in these GR RR A. trifida accessions is not conferred by a target‐site resistance mechanism. © 2017 Society of Chemical Industry
Relative total L‐subshell X‐ray emission intensities and their impact on the fitting of complex X‐ray fluorescence spectra
Authors: Ganly Brianna , Van Haarlem Yves , Tickner James 
Published: March 2017

Relative total L‐subshellX‐ray emission intensities, IL2/IL3 and IL1/IL3, are reported for the elements Er, Tm, Yb, Hf, Ta, W, Pt and Au, measured using approximately monoenergetic X‐rays at 17.4 keV. X‐ray spectra were recorded using a filtered X‐ray tube source and a silicon drift detector. Careful fitting was used to determine the intensities of the individual line transitions, accounting for line broadening and detector artefacts. The line intensities were summed to obtain the L1, L2 and L3 total X‐ray emission rates. Relative total L‐subshell emission intensities were also calculated using recommended values of subshell photoionization cross sections, fluorescence yields and Coster–Kronig transition probabilities. We find poor agreement between these accepted literature values and our experimental results. A simple modelling exercise was conducted to explore the impact on fitting complex L‐shellX‐ray fluorescence spectra using inaccurate literature values for line intensities and total subshell X‐ray emission rates. We find that large errors can be introduced when fitting with incorrect values for the total relative X‐ray emission from different L‐subshells. Copyright © 2017 John Wiley & Sons, Ltd.
Patient Self‐Assessment of Surgical Site Infection is Inaccurate
Authors: Richter Vered , Cohen Matan J. , Benenson Shmuel , Almogy Gideon , Brezis Mayer 
Published: March 2017

AbstractBackgroundAvailability of surgical site infection (SSI) surveillance rates challenges clinicians, healthcare administrators and leaders and the public. The purpose of this report is to demonstrate the consequences patient self‐assessment strategies have on SSI reporting rates.MethodsWe performed SSI surveillance among patients undergoing general surgery procedures, including telephone follow‐up 30 days after surgery. Additionally we undertook a separate validation study in which we compared patient self‐assessments of SSI with surgeon assessment. Finally, we performed a meta‐analysis of similar validation studies of patient self‐assessment strategies.ResultsThere were 22/266 in‐hospital SSIs diagnosed (8.3%), and additional 16 cases were detected through the 30‐day follow‐up. In total, the SSI rate was 16.8% (95% CI 10.1–18.5). In the validation survey, we found patient telephone surveillance to have a sensitivity of 66% (95% CI 40–93%) and a specificity of 90% (95% CI 86–94%). The meta‐analysis included five additional studies. The overall sensitivity was 83.3% (95% CI 79–88%), and the overall specificity was 97.4% (95% CI 97–98%). Simulation of the meta‐analysis results divulged that when the true infection rate is 1%, reported rates would be 4%; a true rate of 50%, the reported rates would be 43%.ConclusionPatient self‐assessment strategies in order to fulfill 30‐day SSI surveillance misestimate SSI rates and lead to an erroneous overall appreciation of inter‐institutional variation. Self‐assessment strategies overestimate SSIs rate of institutions with high‐quality performance and underestimate rates of poor performance. We propose such strategies be abandoned. Alternative strategies of patient follow‐up strategies should be evaluated in order to provide valid and reliable information regarding institutional performance in preventing patient harm.