bluuebunny/crossref_metadata_2025_split huggingface dataset:
Iranian surface air temperature periodicities and correlations with the North Atlantic and Indian Ocean sea surface temperature variations
Authors: Abbasi Madjid , Mashhadizadeh Maleki Saeed 
Published: April 2017

ABSTRACTMonthly mean surface air temperature data of synoptic meteorological stations in Iran have been analysed in order to detect probable periodicities and corresponding amplitudes. Statistically meaningful annual periodicity and its harmonics, quasi‐biennial (2–3 year), interannual (3–5 year) and quasi‐decadal (8–12 year) periodicities have been detected. The ensemble average of the spectra shows statistically meaningful harmonic components in 2.2, 2.5, 3.6, 4.0, 4.9, 8.0 and 9.9 years. The amplitude maps of these harmonic components show variations, with higher amplitudes in north and northwest Iran compared to the south and southeast (north of the Persian Gulf and Oman Sea). The cumulative amplitude map of detected periodicities indicates that the Iranian surface air temperatures have an average periodic oscillation of 0.8 °C in a decade, from a minimum of 0.2 °C in the southeast to a maximum of 1.4 °C in the northwest of Iran. The influence of the Indian Ocean Dipole (IOD) and the Atlantic Multidecadal Oscillation (AMO), which are two major sea surface temperature variations in the Indian and Atlantic Oceans, has been analysed by partial correlation analysis. This showed that the Iranian surface air temperature is mostly affected by the Atlantic Ocean sea surface temperature variations rather than those of the Indian Ocean. The mean absolute values of the partial correlation for the IOD and the AMO are 30.8% and 49.6% respectively. In corresponding partial correlation maps, a regular and partitionable behaviour was not observed. However, a maximum influence of the AMO and a minimum influence of the IOD occur in the northwest of Iran.
Offering a model for estimating black globe temperature according to meteorological measurements
Authors: Hajizadeh Roohalah , Farhang Dehghan Somayeh , Golbabaei Farideh , Jafari Sayed Mohammad , Karajizadeh Mehrdad 
Published: April 2017

ABSTRACTBlack globe temperature (Tg) is one of the most common measurement variables used for assessing heat stress; however, it is usually not reported in meteorological data. This study developed a model to estimate Tg based on meteorological measurements, in order to calculate the occupational heat stress index in outdoor workplaces. This descriptive and analytical study was conducted from May to September 2013 in Qom, Iran. Environmental variables such as natural wet‐bulb temperature (Tnw), dry‐bulb temperature (Ta), solar radiation (SR) and relative humidity (RH) were measured by meteorological instruments in weather stations and Tg was measured by a globe thermometer in the same situations at different times. Data were analysed using IBM SPSS16. Independent variables including Tnw, Ta, SR and RH and the dependent variable Tg were introduced to the software, and several regression models were obtained. Finally, a model that had the most appropriate correlation with a significance level of 0.05 was chosen as the best model. The correlation co‐efficients between Tg and Tnw, Ta, SR and RH were obtained as 0.84, 0.63, 0.75 and −0.75, respectively. The results showed that Ta, SR and RH can justify about 90% of the variation in Tg. There was a significant relationship between Tg and Ta, SR and RH (p < 0.05). The correlation co‐efficient between actual and estimated data was 0.95 (p < 0.001). The model obtained can be trusted to estimate the black globe temperature in a hot and dry environment and can be useful in assessing occupational heat stress in outdoor workplaces.
A Fast Algorithm to Compute Conical Pockets in Proteins. Application to the Structural Characterization of γ‐Carbonic Anhydrases
Authors: Petitjean Michel 
Published: April 2017

AbstractSome major proteins families, such as carbonic anhydrases (CAs), have a conical cavity at the active site. No algorithm was available to compute conical cavities, so we needed to design one. The fast algorithm we designed let us show on a set of 717 CAs extracted from the PDB database that γ‐CAs are characterized by active site cavity cone angles significantly larger than those of α‐CAs and β‐CAs: the generatrix‐axis angles are greater than 60° for the γ‐CAs while they are smaller than 50° for the other CAs. Free binaries of the CONICA software implementing the algorithm are available through a software repository at http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html
Progressive resistance training (PRT) improves rheumatoid arthritis outcomes: A district general hospital (DGH) model
Authors: Morsley Klara , Berntzen Berna , Erwood Lisa , Bellerby Toby , Williamson Lyn 
Published: April 2017

AbstractObjectiveRheumatoid cachexia is common in rheumatoid arthritis (RA) patients and develops soon after diagnosis, despite adequate drug therapy. It is associated with multiple adverse effects on body composition, function and mortality. Progressive resistance training (PRT) improves these outcomes but is not widely prescribed outside of a research setting. The aim of the present study was to explore the practicality and effectiveness of providing PRT to patients in a district general hospital within the constraints of existing resources.MethodsPatients attending a rheumatology clinic were invited to participate in a weekly PRT class for 6 weeks, supervised by a physiotherapist. Outcome measures included: body composition measures (waist and hip circumference, weight, percentage body fat); functional measures (grip strength, 60‐s sit‐to‐stand test, single leg stance, Health Assessment Questionnaire); mood; fatigue and disease activity measures (sleep scale, hospital anxiety and depression scale, Functional Assessment of Chronic Illness Therapy, pain visual analogue scale). These were measured at baseline and at 6 weeks.ResultsA total of 83 patients completed the programme (60% female, mean age 51.2 years), of whom 34.9% had early RA. Improvements were seen in multiple measures inpatients with early RA and with established inflammatory arthritis, and were not affected by age or gender.ConclusionsPatients with early and established inflammatory arthritis alike benefited from a 6‐week PRT programme provided within a National Health Service setting. Although further work is needed to look at long‐term effects, we suggest that this intervention should be more widely available.
A model to increase rehabilitation adherence to home exercise programmes in patients with varying levels of self‐efficacy
Authors: Picha Kelsey J. , Howell Dana M. 
Published: April 2017

AbstractPatient adherence to rehabilitation programmes is frequently low – particularly adherence to home exercise programmes. Home exercise programmes have been identified as complementary to clinic‐based physical therapy in an orthopaedic setting. Barriers to patient adherence have previously been identified within the literature. Low self‐efficacy is a barrier to adherence that clinicians have the ability to have an impact on and improve. The theory of self‐efficacy is defined as a person's confidence in their ability to perform a task. This theory examines the ability of a person to change through exerting control over inner processes of goal setting, self‐monitoring, feedback, problem solving and self‐evaluation. If clinicians are able to identify patients with low self‐efficacy prior to the prescription of a home exercise programme, adjustments to individualized care can be implemented. Individualized care based on improving self‐efficacy for home exercise programmes may improve patient adherence to these programmes. The purpose of this article was to use the theory of self‐efficacy to direct clinicians in providing individualized programmes to patients with varying levels of self‐efficacy.
On the weighting method for mixed least squares–total least squares problems
Authors: Liu Qiaohua , Wang Minghui 
Published: April 2017

SummaryIt is well known that the standard algorithm for the mixed least squares–total least squares (MTLS) problem uses the QR factorization to reduce the original problem into a standard total least squares problem with smaller size, which can be solved based on the singular value decomposition (SVD). In this paper, the MTLS problem is proven to be closely related to a weighted total least squares problem with its error‐free columns multiplied by a large weighting factor. A criterion for choosing the weighting factor is given; and for the sake of stability in solving the MTLS problem, the Cholesky factorization‐based inverse (Cho‐INV) iteration and Rayleigh quotient iteration are also considered. For large‐scale MTLS problems, numerical tests show that Cho‐INV is superior to the standard QR‐SVD method, especially for the case with big gap between the desired and undesired singular values and the case when the coefficient matrix has much more error‐contaminated columns. Rayleigh quotient iteration behaves more efficient than QR‐SVD for most cases and fails occasionally, and in some cases, it converges much faster than Cho‐INV but still less efficient due to its higher computation cost.
From cells to laminate: probing and modeling residual stress evolution in thin silicon photovoltaic modules using synchrotron X‐ray micro‐diffraction experiments and finite element simulations
Authors: Tippabhotla Sasi Kumar , Radchenko Ihor , Song W.J.R. , Illya Gregoria , Handara Vincent , Kunz Martin , Tamura Nobumichi , Tay Andrew A.O. , Budiman Arief S. 
Published: April 2017

AbstractFracture of silicon crystalline solar cells has recently been observed in increasing percentages especially in solar photovoltaic (PV) modules involving thinner silicon solar cells (<200 μm). Many failures due to fracture have been reported from the field because of environmental loading (snow, wind, etc.) as well as mishandling of the solar PV modules (during installation, maintenance, etc.). However, a significantly higher number of failures have also been reported during module encapsulation (lamination) indicating high residual stress in the modules and thus more prone to cell cracking. We report here, through the use of synchrotron X‐ray submicron diffraction coupled with physics‐based finite element modeling, the complete residual stress evolution in mono‐crystalline silicon solar cells during PV module integration process. For the first time, we unravel the reason for the high stress and cracking of silicon cells near soldered inter‐connects. Our experiments revealed a significant increase of residual stress in the silicon cell near the solder joint after lamination. Moreover, our finite element simulations show that this increase of stress during lamination is a result of highly localized bending of the cell near the soldered inter‐connects. Further, the synchrotron X‐ray submicron diffraction has proven to be a very effective way to quantitatively probe mechanical stress in encapsulated silicon solar cells. Thus, this technique has ultimately enabled these findings leading to the enlightening of the role of soldering and encapsulation processes on the cell residual stress. This model can be further used to suggest methodologies that could lead to lower stress in encapsulated silicon solar cells, which are the subjects of our continued investigations. Copyright © 2017 John Wiley & Sons, Ltd.
Dual action of high estradiol doses on MNU‐induced prostate neoplasms in a rodent model with high serum testosterone: Protective effect and emergence of unstable epithelial microenvironment
Authors: Gonçalves Bianca F. , de Campos Silvana G.P. , Góes Rejane M. , Scarano Wellerson R. , Taboga Sebastião R. , Vilamaior Patricia S.L. 
Published: April 2017

BACKGROUNDEstrogens are critical players in prostate growth and disease. Estrogen therapy has been the standard treatment for advanced prostate cancer for several decades; however, it has currently been replaced by alternative anti‐androgenic therapies. Additionally, studies of its action on prostate biology, resulting from an association between carcinogens and estrogen, at different stages of life are scarce or inconclusive about its protective and beneficial role on induced‐carcinogenesis. Thus, the aim of this study was to determine whether estradiol exerts a protective and/or stimulatory role on N‐methyl‐N‐nitrosurea‐induced prostate neoplasms.METHODSWe adopted a rodent model that has been used to study induced‐prostate carcinogenesis: the Mongolian gerbil. We investigated the occurrence of neoplasms, karyometric patterns, androgen and estrogen receptors, basal cells, and global methylation status in ventral and dorsolateral prostate tissues.RESULTSHistopathological analysis showed that estrogen was able to slow tumor growth in both lobes after prolonged treatment. However, a true neoplastic regression was observed only in the dorsolateral prostate. In addition to the protective effects against neoplastic progression, estrogen treatment resulted in an epithelium that exhibited features distinctive from a normal prostate, including increased androgen‐insensitive basal cells, high androgens and estrogen receptor positivity, and changes in DNA methylation patterns.CONCLUSIONSEstrogen was able to slow tumor growth, but the epithelium exhibited features distinct from a normal prostatic epithelium, and this unstable microenvironment could trigger lesion recurrence over time.
Correlation between experimental data of protonation of aromatic compounds at (+) atmospheric pressure photoionization and theoretically calculated enthalpies
Authors: Ahmed Arif , Lim Dongwon , Choi Cheol Ho , Kim Sunghwan 
Published: April 2017

RationaleThe theoretical enthalpy calculated from the overall protonation reaction (electron transfer plus hydrogen transfer) in positive‐mode (+) atmospheric‐pressure photoionization (APPI) was compared with experimental results for 49 aromatic compounds. A linear relationship was observed between the calculated ΔH and the relative abundance of the protonated peak. The parameter gives reasonable predictions for all the aromatic hydrocarbon compounds used in this study.MethodsA parameter is devised by combining experimental MS data and high‐level theoretical calculations. A (+) APPI Q Exactive Orbitrap mass spectrometer was used to obtain MS data for each solution. B3LYP exchange‐correlation functions with the standard 6‐311+G(df,2p) basis set was used to perform density functional theory (DFT) calculations.ResultsAll the molecules with ΔH <0 kcal/mol for the overall protonation reaction with toluene clusters produced protonated ions, regardless of the desolvation temperature. For molecules with ΔH >0, molecular ions were more abundant at typical APPI desolvation temperatures (300°C), while the protonated ions became comparable or dominant at higher temperatures (400°C). The toluene cluster size was an important factor when predicting the ionization behavior of aromatic hydrocarbon ions in (+) APPI.ConclusionsThe data used in this study clearly show that the theoretically calculated reaction enthalpy (ΔH) of protonation with toluene dimers can be used to predict the protonation behavior of aromatic compounds. When compounds have a negative ΔH value, the types of ions generated for aromatic compounds could be very well predicted based on the ΔH value. The ΔH can explain overall protonation behavior of compounds with ΔH values >0. Copyright © 2017 John Wiley & Sons, Ltd.
A new negative and positive gas ion source for isotope ratio mass spectrometry
Authors: Pieńkos Tomasz , Hałas Stanisław 
Published: April 2017

RationaleThe goal of this research was to construct an effective gas ion source for isotope ratio mass spectrometry, which generates sufficiently strong and stable ion beams for multiple isotope ratio analysis of sulfur and oxygen from readily available gases such as SO2, CO2, CO, O2 and chlorine from CH3Cl gas.MethodsBy means of a 60° sector mass spectrometer equipped with a new type of sensitive ion source and with a dual‐inlet system and triple collector assembly, we have measured 34S/32S and challenging 36S/32S isotope ratios using positive sulfur ions generated from SO2 gas. The new ion source differs from the Nier‐type ones by the electron beam being replaced with a tungsten filament. The obtained isotope signals of 32S+, 34S+ and 36S+ were from 1 to 5 V (depending on the pressure of admitted gas) on high‐ohm resistors of 200 MΩ, 5 GΩ and 500 GΩ, respectively. The variable 33S peak was not recorded as useful due to interference from H32S+ ions.ResultsAlthough the ionizing electrons in the new ion source have significant energy dispersion the obtained peak profiles are flat‐topped and they lead to good resolving power for the mass spectrometer (M/∆M ≈ 100). The achieved precision of δ34S and δ36S determination was better than ±0.01 and ±0.1‰, respectively. The determination of 37Cl/35Cl in a volatile organic compound CH2Cl2 was easily achieved on Cl– negative ions with a precision of ±0.005‰.ConclusionsThe new ion source has great potential in the quantitative analysis of gases on positive ion mass spectra as well as, in the case of gases with high electron affinity such as CH3Cl, CH3Br, SF6, SiF4, on negative ones. It usefulness was demonstrated on an example of multiple sulfur isotope analysis and 37Cl/35Cl ratio determination with great precision. A negative ion source of this type will probably be useful in a more complicated instruments used in SIMS or AMS. Copyright © 2017 John Wiley & Sons, Ltd.
Rapid mass spectrometry analysis of a rectilinear ion trap by continuous secular frequency scanning
Authors: Huo Xinming , Chen Jin , Tang Fei , Yao Tongtong , Piao Shiyun , Ni Kai , Wang Xiaohao 
Published: April 2017

RationaleSecular frequency scanning is a mass spectrometry (MS) analysis method in which the frequency of the auxiliary alternating current (AC) signal is scanned. It has low requirements for radio‐frequency (RF) power, which is beneficial for the miniaturization of the mass spectrometer. In this study, the MS performance in the reverse secular frequency scanning (RSFS) mode is optimized for a rectilinear ion trap (RIT), and a method for rapid MS analysis using continuous secular frequency scanning (CSFS) is proposed.MethodsA RIT mass spectrometer with an auxiliary AC frequency scanning function was built. The resolution, tandem mass spectrometry (MS/MS) and quantitation capability in the RSFS mode were characterized and optimized. Operation in the CSFS mode was then performed by scanning the frequency of the auxiliary AC signal continuously and periodically while maintaining the RF signal and the front Z electrode in the ion injection state, so that the ion injection and cooling were performed at the same time as the mass analysis.ResultsWith this system, the RSFS mode achieved unit mass resolution at 332 Th, and the MS/MS analysis was completed without changing the RF amplitude at q = 0.4583 for reserpine. The limit of quantitation for imatinib was about 250 ng/mL with the determination coefficient R2 = 0.9981. In the CSFS mode, a single analysis cycle of less than 20 ms could be achieved, which is 14 times faster than the traditional sweep modes. In addition, 100% ion utilization can theoretically be achieved in the CSFS mode.ConclusionsThe CSFS mode is different from the traditional phased sequential operation mode of an ion trap mass spectrometer. By periodic scanning of the auxiliary AC frequency while maintaining ion injection, it is possible to improve the analysis efficiency of the mass spectrometer, which has the prospect of useful application in the field of rapid MS monitoring. Copyright © 2017 John Wiley & Sons, Ltd.
Determination of artemisitene in rat plasma by ultra‐performance liquid chromatography/tandem mass spectrometry and its application in pharmacokinetics
Authors: Wu Li‐lan , Wu Yun‐Shan , Chen Wei‐Ying , Zhou Wen , Tang Lipeng , Li Ben , Liu Bo 
Published: April 2017

RationaleArtemisitene shows a wide variety of pharmacological activities, such as antioxidant protection in vitro and in vivo. It has been identified as a novel Nrf2 inducer. However, there is no report on an ultra‐performance liquid chromatography/tandem mass spectrometry (UPLC/MS/MS) method to quantitate artemisitene in rat plasma and its application to a pharmacokinetic profile study.MethodsAn ACQUITY UPLC™ BEH Symmetry Shield RP18 column (1.7 μm, 2.1 mm × 100 mm) was used at a flow rate of 0.3 mL·min–1. Mass detection was performed by electrospray ionization tandem mass spectrometry via multiple reaction monitoring (MRM) in positive mode. Plasma samples were pre‐treated by a single‐step extraction with 0.1% formic acid aqueous solutions‐acetonitrile, and tolbutamide was used as internal standard.ResultsThe calibration curve was from 0.98 to 1000 ng∙mL–1 (r2 = 0.995). The extraction recoveries were 61.5–79.4% and 81.7–94.6% for artemisitene and tolbutamide, respectively. The lower limit of quantification (LLOQ) was 0.98 ng∙mL–1. The absolute bioavailability of artemisitene was 3.7% after intravenous and oral administration in rats.ConclusionsThe UPLC/MS/MS assay was validated for linearity, accuracy, stability, extraction recovery, matrix effects, and intra‐day and inter‐day precision. The method, for the first time, achieved some pharmacokinetic parameters and was successfully applied to a pharmacokinetic study Copyright © 2017 John Wiley & Sons, Ltd.
Density functional theory study on structure and stability of BeBn+ clusters
Authors: Liu Chunhui , Si Hongyan , Han Peilin , Tang Mingsheng 
Published: April 2017

RationaleBoride compounds hold promise for broad applications in the field of optoelectronics due to their high‐temperature resistant, corrosion resistant and antioxidant properties. In order to reveal the formation mechanism of alkali and alkaline earth metal doped boron clusters, theoretical studies of these systems are required.MethodsAll the possible geometrical structures of BeBn+ clusters (n = 1–8) were optimized at the B3LYP/6–311+G(d) level; the harmonic vibration frequencies were obtained to examine the true stability and give the zero‐point vibration energy at that theoretical level. The single point energies of all the structures were computed at the CCSD(T)/aug‐cc‐pVDZ level. For the most stable structures, the average binding energy (Eb), the fragmentation energy (EF) and second‐order difference of total energy (Δ2E) were used to evaluate the relative stability of clusters.ResultsMost of the BeBn+ clusters are planar in structure; the B atoms tend to aggregate to form a boron ring, and the coordinating Be atoms are on the periphery of the clusters. The fragmentation energy and second‐order difference of total energy show that there is an obvious odd‐even alteration as n increases, and local‐maxima when n is odd.ConclusionsA systematic theoretical investigation on the geometries, stabilities and electronic properties of BeBn+ clusters has been carried out where n = 1–8. The results provide a useful reference for understanding the formation mechanism and stability of these clusters, as well as guidance for finding larger size clusters.