bluuebunny/crossref_metadata_2025 huggingface dataset:
Wave packet molecular dynamics–density functional theory method for non‐ideal plasma and warm dense matter simulations
Authors: Lavrinenko Yaroslav S. , Morozov Igor V. , Valuev Ilya A.
Published: March 2019

A new wave packet molecular dynamics–density functional theory (WPMD‐DFT) method is proposed for atomistic simulations of non‐ideal plasma and warm dense matter. The method is based on the WPMD approach, where the electronic exchange and correlation effects are treated using an additional energy term taken from DFT. This term is calculated by integration over the mesh values of the wave packet density. The local density approximation is implemented so far. WPMD‐DFT is meant as a replacement for the anti‐symmetrized WPMD (AWPMD) method which is more time consuming and lacks electron correlation. In this paper, we compare the results obtained by WPMD‐DFT, WPMD, AWPMD, classical molecular dynamics, and path integral Monte Carlo methods for the internal energy of the hydrogen plasma in the temperature range 10–50 kK and electron number density from 1020 to 1024 cm−3. We also demonstrate the ability to handle the simultaneous dynamics of electrons and ions by calculating the electron–ion temperature relaxation. The scalability of the WPMD‐DFT method with the number of electrons is shown for implementations in central processing unit and graphical processing unit.
Surveying pasture communities in diachronic analyses by 3D models: the diachronic canopy variation model
Authors: Passalacqua Nicodemo G. , Muzzupappa Maurizio , Lagudi Antonio , Bernardo Liliana , Schettino Aldo , Gargano Domenico
Published: March 2019

Aboveground biomass (AGB) is a parameter commonly used for assessing and monitoring primary productivity of grassland communities. Destructive AGB measurements, although accurate, are time‐consuming and do not allow for repeated measurements as required by monitoring protocols. Structure‐from‐motion (SfM) photogrammetry has been proved to be a reliable tool for rapid and not destructive AGB estimations in grass systems. Three‐dimensional (3D) models of fourteen 1 × 1 m2 pasture plots were reconstructed and AGB volume measured under several measurement settings. Volume‐based AGB measures were regressed to AGB values resulting from destructive methods to identify the measurement settings that show the best fit. Furthermore, 3D models of four mountain pasture plots were reconstructed in May, July, and August. Models relative to the same plot were aligned and their relative difference measured to produce a diachronic canopy variation model (DCVM). On the measured volume (Vd), the coefficient of density (cρ) was applied to adjust the volume values (Vadj) in relation to variation due to different DCVM point densities. The measurement setting for AGB volume estimations strongly influenced their correlation with traditional AGB scores. The best fit was obtained selecting 1 mm grid cell size and minimum point height distance. Such options were then selected to measure the DCVM. Adjusted volumes were fully correlated with the average point distance. Three plots revealed higher rates of AGB in the spring compared to summer season, as justified by the summer aridity constraints affecting vegetation productivity in Mediterranean areas. In one plot, we found an anomalous seasonal pattern, showing an AGB reduction in spring, which can be correlated with grazing, that promoted a subsequent increment in summer. Our study indicates that image‐based photogrammetric techniques allow for reliable non‐destructive measurements of surface biomass in diachronic analyses, offering a valuable tool for evaluating occurrence, magnitude, and spatial patterns of variations of community primary productivity over time. Diachronic canopy variation model produced congruent patterns of inter‐seasonal canopy variations proving to be a useful tool for analyzing local disturbance to vegetation canopy caused by grazing.
On the Structural Features of Substituted Lanthanide Benzoates
Authors: Utochnikova Valentina V. , Kalyakina Alena S. , Solodukhin Nikolay N. , Aslandukov Andrey N.
Published: March 2019

An analysis of the structures of lanthanide benzoates, based on the Cambridge Structural Database (CSD) data, was conducted. In particular, the analysis of the Ln–O bond length was carried out, and the role of different substituents was revealed. These parameters are especially crucial for the chemical design of new luminescent materials based on the lanthanide complexes.
Rapid Electrochemical Detection of Vanillin in Natural Vanilla
Authors: Chen Lifu , Chaisiwamongkhol Korbua , Chen Yuqi , Compton Richard G.
Published: March 2019

A commercially available and disposable multiwalled carbon nanotube screen‐printed electrode (CNT‐SPE) was employed to detect and determine vanillin compounds in natural vanilla. The voltammetric behaviour of vanillin at the CNT‐SPE is examined and shown to be a sensitive method for quantifying vanillin. Linear calibration for vanillin in the range of 2.5–750 μM was obtained with a detection limit of 1.03 μM and a quantification limit of 3.44 μM. The developed method comprises a simple sample preparation method and a sensitive electrochemical detection for the quantification of vanillin in vanilla pods and is an easy and simple procedure for manufacturers and consumers.
Simultaneous Anodic Adsorptive Stripping Voltammetric Determination of Luteolin and 3‐Hydroxyflavone in Biological Fluids Using Renewable Pencil Graphite Electrodes
Authors: Temerk Yassien , Ibrahim Hossieny , Schuhmann Wolfgang
Published: March 2019

Simultaneous anodic adsorptive stripping voltammetry was applied for selective and sensitive electrochemical determination of the flavones luteolin (LU) and the basic flavone core 3‐hydroxyflavone (3HF) using a renewable pencil graphite electrode (PGE). The increased separation of the anodic peak potential of LU and 3HF on a PGE surface together with the increased sensitivity renders their simultaneous determination feasible by square wave anodic adsorptive stripping voltammetry (SWAASV). The electrochemical parameters such as surface concentration (Γ), electron transfer coefficient (α), and the standard rate constant (ks) of both LU and 3HF at a PGE were calculated. For simultaneous detection of both compounds by synchronous change of the concentration of LU and 3HF, the detection limits were 1.34 nM and 5.15 nM, respectively. The proposed procedure was successfully applied for the simultaneous detection of LU and 3HF in human serum and urine samples with satisfactory results.
An experimental study of seepage properties of gas‐saturated coal under different loading conditions
Authors: Wang Dengke , Lv Ruihuan , Wei Jianping , Fu Qichao , Wang Yitong , Zhang Ping , Yu Chong , Yao Banghua
Published: March 2019

In order to supply benefits for safe production of coal underground and efficient exploitation of coalbed methane, a self‐developed gas seepage experimental device considering gas adsorption and desorption was proposed to study the seepage properties of gas‐saturated coal in this paper. A series of gas seepage experiments under different loading conditions were carried out to investigate the change rules of permeability of gas‐saturated coal. The experimental results covered the significant effects of confining pressure, gas pressure, temperature change, creep stress, and complete stress‐strain process on the seepage laws of gas‐saturated coal. The experimental results showed that the permeability of gas‐saturated coal is strongly sensitive to the effective stress and decreases with the increase of the effective stress. Under the fixed confining pressure, the permeability of gas‐saturated coal showed an obvious Klinkenberg effect, but the Klinkenberg effect would no longer be evident once the gas pressure was larger than 1.0 MPa. And the change law of permeability of gas‐saturated coal with temperature was mainly reflected in the comprehensive effect of thermal stress and effective stress on the control of pore deformation. Under the complete stress‐strain loading conditions, the change rules of permeability were mainly dependent on the failure mode of gas‐saturated coal. And the change rules of permeability, for the condition of triaxial creep stress, were relied on the stage of creep deformation. The deformation at decay creep stage was responsible for a steady permeability after the failure of gas‐saturated coal, while the deformation at nondecay creep stage was responsible for a rapid increase of permeability after the failure of gas‐saturated coal. The results in this work can offer some helpful suggestions for efficiently exploring coalbed methane in the future.
Zircon U–Pb geochronology, Hf isotopic compositions, and petrogenetic study of Abor volcanic rocks of Eastern Himalayan Syntaxis, Northeast India: Implications for eruption during breakup of Eastern Gondwana
Authors: Singh Athokpam Krishnakanta , Chung Sun‐Lin , Bikramaditya Rajkumar , Lee Hao‐Yang , Khogenkumar Shoraisam
Published: March 2019

This paper reports new zircon U–Pb ages and Hf isotopic compositions of felsic units of the Abor volcanic rocks (AVR) of Eastern Himalayan Syntaxis (EHS), Northeast India, and discusses their relationship to the Kerguelen plume activity. The AVR are bimodal and predominantly constituted by mafic rocks with minor felsic units. Mafic volcanics are identified as basalt and basaltic andesite with light rare earth elements (LREE) enriched and slightly depleted heavy rare earth elements (HREE) pattern without Eu anomalies. Low concentrations of LILE, high contents of Fe2O3, and other incompatible trace elements ratios reflect enriched nature of these mafic volcanics. Felsic volcanic rocks are dacitic to rhyolitic in composition, which have high REE content, high LREE/HREE, and pronounced negative Eu anomalies. Enriched LREE, high Th/Nb, Ce/Nb ratios, and variations in Rb/Zr, K/Rb, La/Sm ratios with negative anomalies of Ba, Nb, Sr, P, Ti in felsic rocks suggest substantial contribution of crustal contamination at the time of eruption. Zircons from felsic units yield an average U–Pb age of ~132 Ma and unradiogenic (ƐHf(t) < 0) Hf isotope values of −7.0 to −13.3 with model ages between 1.5 and 2.1 Ga, suggesting old crustal assimilation in their genesis. The AVR were emplaced in the continental rift tectonic setting, and depth of the magma source is confirmed as near spinel stability zone. The AVR are positively comparable with other flood basalts that were formed due to the Kerguelen plume activity. Therefore, our combined new geochemical and geochronological data show that the AVR were emplaced at early stage (~132 Ma) of eastern Gondwana breakup due to outbreak of the Kerguelen plume. This study thus supports the idea of the Kerguelen plume affecting a large area of Eastern India, Western Australia, and Antarctica during early stage of Gondwana breakup.
An early warning indicator for liquidity shortages in the interbank market
Authors: Eross Andrea , Urquhart Andrew , Wolfe Simon
Published: March 2019

This study investigates an early warning indicator for liquidity shortages in the short‐term interbank market. To identify structural breaks and their persistence, an autoregressive two‐state regime switching model is presented. The variability in the LIBOR–OIS spread along with thresholds, which delimit four intensities, reveals regime changes consistent with liquidity crashes. The transition between the states is state dependent, and the posterior estimates for the crisis and noncrisis states are estimated using the Gibbs sampler. We forecast our early warning indicator up to December 2011 and show that the estimates are superior to a random walk with drift. Therefore, the model is an effective early warning indicator of an imminent liquidity shortage impacting the interbank market.
Objective analysis and bit rate analysis of HEVC compressed 4D‐fMRI images
Authors: Raut Yudhishthir , Gamad R. S. , Bansod P. P.
Published: March 2019

Medical imaging and clinical diagnostics are complementary to one another since their analysis is typical and contains critical information. The growing volume of data has become one of the biggest challenges, as the acquisition of medical modalities is currently having high resolution from the improved and efficient machines (3 to 7 T or more). Moreover, image and video compression is a need with the consideration that there should not be any gap for losing the important information. Less bitrate requirement with high compression ratio without sacrificing important detail is a challenge these days. The current study, is dealing with the compression of 4D‐functional medical resonance images (fMRI) with a codec, that is, high‐efficient video coding (HEVC/H.265) and its objective analysis along with its predecessor that is advanced video coding (AVC/H.264) and with VP8 (WebM Project of Google) reported here. Further, the bit rate analysis that has been conducted, also accounts in conjunction with the bitrate investigation, which is an imperative perspective vital for the telemedicine field. The simulation results reported here represents the compression ratio (CR = 118.23:1) with HEVC/H.265 codec over the compression ratio (CR = 20.52:1) provided by AVC/H.264 and VP8 (CR = 78.29:1). There has been significant improvement observed in alignment of the peak signal‐to‐noise ratio (APSNR), structural similarity (SSIM), and mean squared error (MSE) metrics. Overall, the performance of the anticipated technique is satisfactory for the forthcoming telemedicine or clinical use.
Effect of Alendronic Acid on Fracture Healing: A Multicenter Randomized Placebo-Controlled Trial
Authors: Duckworth Andrew D , McQueen Margaret M , Tuck Christopher E , Tobias Jonathan H , Wilkinson Jeremy Mark , Biant Leela C , Pulford Elizabeth Claire , Aldridge Stephen , Edwards Claire , Roberts Chris P , Ramachandran Manoj , McAndrew Andrew Richard , Cheng Kenneth CK , Johnston Phillip , Shah Nasir H , Mathew Philip , Harvie John , Hanusch Birgit C , Harkess Ronnie , Rodriguez Aryelly , Murray Gordon D , Ralston Stuart H
Published: March 2019

There is a concern that bisphosphonates may impair fracture healing because of their inhibitory effects on bone turnover. Here we evaluated the effects of early bisphosphonate therapy on fracture healing and functional outcome following a fracture of the distal radius. The fracture and bisphosphonates (FAB) trial was a double-blind, randomized, placebo-controlled trial involving 15 trauma centers in the United Kingdom. We enrolled 421 bisphosphonate-naive patients aged ≥50 years with a radiographically confirmed fracture of the distal radius and randomized them in a 1:1 ratio to receive alendronic acid 70 mg once weekly (n = 215) or placebo (n = 206) within 14 days of the fracture. The primary outcome measure was the proportion of fractures that had radiologically united at 4 weeks as assessed by an observer, blinded to treatment allocation. Secondary outcomes included the Disabilities of the Arm Shoulder and Hand (DASH) questionnaire, range of wrist movement and grip strength, pain and analgesia requirements, and the rate of malunion. The mean ± SD age of participants was 63 ± 8.5 years and 362 (86%) were female. At 4 weeks, 48 of 202 (23.8%) fractures had united in the alendronic acid group compared with 52 of 187 (27.8%) in the placebo group (observed absolute proportion difference 4.0%; 95% CI, –4.7% to 12.8%; p = 0.36). The absolute proportion difference between groups based on imputed data was 4.5% (95% CI, –4.7% to 13.8%; p = 0.30). There was no significant difference in the proportion of fractures that had united at any other time point and no differences in the DASH score, pain at the fracture site, grip strength, or any other clinical outcome. We conclude that among patients aged 50 years and above with a distal radius fracture, early administration of alendronic acid does not adversely affect fracture union or clinical outcome. These findings suggest bisphosphonate therapy can be safely commenced early after fracture if clinically indicated. © 2019 American Society for Bone and Mineral Research.
Insight into spin–orbital interaction using MCSCF method: A special analysis of the 1Σg+ electronic state in C2 and the linear polyacetylenic C4 and C6
Authors: Zhu Changyan , Zhang Xingxing , Zhang Min , Geng Yun , Liu Xingman , Su Zhongmin
Published: March 2019

The symmetry‐broken wave function can transform the 1Σg+ state of C2 from the classic double bonding to the quadruple bonding, where the transformed wave functions of ϕ
L and ϕ
R are singly occupied by two opposite‐spinning electrons. In this article, the effective bond order (EBO) contribution of the fourth bond in C2 is assessed through the overlap integral between ϕ
L and ϕ
R, namely the value (0.60) is the EBO contribution of the fourth bond in the transformed scheme. Hence, the new EBO is 3.36, which is more equitable than the original EBO (2.15) in the traditional scheme. In addition, the singlet diradical character of the linear polyacetylenic C4 and C6 in the 1Σg+ state is addressed for the first time. No spin‐polarized bonding exists in other linear C2n clusters, because the ionic interaction in the polyacetylenic 1Σg+ state of C4 is negligible. Moreover, the coupling energy between α and β single electrons in C4 is only 4.0 kcal mol−1 based on the electron spin‐flip energy. © 2019 Wiley Periodicals, Inc.
Prevalence of Hepatitis C virus genotypes in nine selected European countries: A systematic review
Authors: Petruzziello Arnolfo , Loquercio Giovanna , Sabatino Rocco , Balaban Daniel Vasile , Ullah Khan Najeeb , Piccirillo Mauro , Rodrigo Luis , di Capua Lucia , Guzzo Annunziata , Labonia Francesco , Botti Gerardo
Published: March 2019

Background

Hepatitis C virus (HCV) infection is a global health problem especially for its increasing level of mortality. Detailed knowledge of HCV genotypes prevalence has clinical relevance since the efficacy of therapies is impacted by genotypes and subtypes distribution. Moreover, HCV exhibits a great genetic variability regionally.

To date, there are no published studies assessing HCV genotypes distribution in specific countries of the Mediterranean basin. The aim of this study was to review data published from 2000 to 2017 with the purpose to estimate genotypes distribution of HCV infection in nine European countries all located in the Mediterranean basin.

Methods

A systematic research of peer‐reviewed journals indexed in PubMed, Scopus, and EMBASE databases selected if containing data regarding distribution of HCV genotypes in nine selected European countries (Albania, Bosnia, Croatia, France, Greece, Italy, Montenegro, Slovenia, and Spain) was performed.

Results

Genotype 1 is the most common (61.0%), ranging from 80.0% in Croatia to 46.0% in Greece, followed by genotype 3 (20.0%), varying from 38.0% in Slovenia to 7.0% and 8.0%, respectively, in Italy and in Albania and by genotype 4 (10.0%) that shows an increase of 1.1% with respect to data obtained till 2014 probably due to the increasing migrants arrivals to Southern Europe. G2, the fourth most frequent genotype (8.5%), particularly common in Italy (27.0%) and Albania (18.0%) might be probably introduced in Southern Italy as a result of Albanian campaign during Second World War and more and more increased by the migration flows from Albania to Italy in the 90s.

Conclusion

Epidemiology of HCV infection shows a high variability across the European countries that border the Mediterranean Sea. HCV genotyping is a relevant tool to monitor the dynamic process influenced by both evolving transmission trends and new migration flows on HCV scenario.
Establishing and validating of an laboratory information system‐based auto‐verification system for biochemical test results in cancer patients
Authors: Yan Cuie , Zhang Yujuan , Li Jia , Gao Jia , Cui Chanjuan , Zhang Chun , Song Guiyu , Yu Mengyao , Mu Jianjun , Chen Feng , Han Xiaohong , Cui Wei
Published: March 2019

Background

To establish and validate an laboratory information system (LIS)‐based auto‐verification (AV) system by using large amounts of biochemical test results in cancer patients.

Methods

An algorithm of the AV process was designed for pre‐analysis, analysis, and post‐analysis. The limit range check was adjusted three times, while the delta check criteria were first replaced by the same patients’ historical extremum results. AV rules of 51 biochemical test items were tested by using data of 121 123 samples (6 177 273 tests) in 2016 that were manually reviewed through the simulative i‐Vertification software of Roche. The improved and optimal AV rules were programed into our LIS and validated by using 140 113 clinical specimens in 2018.

Results

The AV passing rate for samples tested in our laboratory increased from 15.57% to the current overall passing rate of 49.70%. The passing rate of each item for rule 3 was between 71.16% and 99.91%. Different cancer groups had different passing rate, while the disease group of liver, gallbladder, and pancreas always had the lowest passing rate. A total of 9420 reports (6.72%) were not verified by AV but could be verified by MV in 2018, while there were no reports that were verified by AV but not by MV. The TAT of March 2018 decreased with increase in sample size compared with the same time in 2017.

Conclusion

We have firstly established an LIS‐based AV system and implemented it in actual clinical care for cancer patients.
Pooled analysis of nuclear acid sequence‐based amplification for rapid diagnosis of Mycoplasma pneumoniae infection
Authors: Huang Chong , Huang Pei‐Ting , Yao Jie‐Ying , Li Zhong‐Wei , Weng Luo‐Bei , Guo Xu-Guang
Published: March 2019

Background

Mycoplasma pneumoniae (M pneumoniae) is a common human etiology of respiratory infections. Nuclear acid sequence‐based amplification (NASBA) shows good value for the detection of M pneumoniae that surpasses PCR. However, the optimal detection technology still remains to be identified. The purpose of this meta‐analysis was to systematically evaluate the overall accuracy of NASBA for diagnosing M pneumoniae infections.

Methods

The databases PubMed, Cochrane Library, Google Scholar, CNKI, Wang Fang, and Baidu Scholar were comprehensively searched from their initiation date to December 2017 for NASBA in the diagnosis of M pneumoniae infection. Meta‐DiSc 1.4 statistical software was used to evaluate the sensitivity (SEN), specificity (SPE), negative likelihood ratio (−LR), positive likelihood ratio (+LR), diagnostic odds ratio (DOR), and summary receiver operating characteristic (SROC). RevMan 5.2 statistical software was used for quality evaluation of the included articles. Publication bias was evaluated by funnel plot.

Results

Six articles with high quality, including 10 studies, were finally included in this meta‐analysis. The combined statistics results for the diagnosis of M pneumoniae infection by NASBA were 0.77 (SEN, 95% CI: 0.71 to 0.82); 0.98 (SPE, 95% CI: 0.98 to 0.99); 0.22 (‐LR, 95% CI: 0.13 to 0.39); 50.38 (+ LR, 95% CI: 21.85 to 116.17); 292.72 (DOR, 95% CI: 95.02 to 901.75); and 0.9875 (the area under the curve of SROC).

Conclusion

Nuclear acid sequence‐based amplification is a reliable technique to diagnose M pneumoniae infection. However, whether it can replace PCR and serology need to be further studied.
Radiosynthesis of the norepinephrine transporter tracer [18F]NS12137 via copper‐mediated 18F‐labelling
Authors: Lahdenpohja Salla , Keller Thomas , Rajander Johan , Kirjavainen Anna K.
Published: March 2019

[18F]NS12137 (exo‐3‐[(6‐[18F]fluoro‐2‐pyridyl)oxy]8‐azabicyclo[3.2.1]octane) is a highly selective norepinephrine transporter (NET) tracer. NETs are responsible for the reuptake of norepinephrine and dopamine and are linked to several neurodegenerative and neuropsychiatric disorders. The aim of this study was to develop a copper‐mediated 18F‐fluorination method for the production of [18F]NS12137 with straightforward synthesis conditions and high radiochemical yield and molar activity. [18F]NS12137 was produced in two steps. Radiofluorination of [18F]NS12137 was performed via a copper‐mediated pathway starting with a stannane precursor and using [18F]F− as the source of the fluorine‐18 isotope. Deprotection was performed via acid hydrolysis. The radiofluorination reaction was nearly quantitative as was the deprotection based on HPLC analysis. The radiochemical yield of the synthesis was 15.1 ± 0.5%. Molar activity of [18F]NS12137 was up to 300 GBq/μmol. The synthesis procedure is straightforward and can easily be automated and adapted for clinical production.
Using a new regularized factorization method for unconstrained optimization problems
Authors: Dehghan Niri Tayebeh , Shahzadeh Fazeli Seyed Abolfazl , Hosseini Mohammad Mehdi
Published: March 2019

In this paper, a new regularized factorization method is presented for solving unconstrained minimization problems in which the Hessian matrix may not be a positive definite or may be close to singular. With employing the modified quadrant interlocking factorization (QIF), an efficient algorithm is developed to find a suitable method. Moreover, under suitable conditions, the global convergence of the proposed method is established. Some interesting examples are solved by the proposed method and the improved Cholesky factorization method. The results show that the proposed method, in the most cases, the algorithm has a faster convergence than the improved Cholesky factorization method.
An investigation of atmospheric rivers impacting heavy rainfall events in the North‐Central Mississippi River Valley
Authors: Rabinowitz Jordan L. , Lupo Anthony R. , Market Patrick S. , Guinan Patrick E.
Published: March 2019

During the latter part of the 20th century and into the 21st century, research has focused on evaluating how to more effectively utilize upper‐air soundings and satellite analysis of atmospheric water vapour transport pathways typically referred to as “atmospheric rivers” (ARs) in order to better forecast heavy rainfall events. Rainfall associated with ARs may include a significant portion of monthly and seasonal rainfall when they occur within the North‐Central Mississippi Valley Region. A comprehensive analysis of surface and upper‐air maps and upper‐air soundings and the associated vertical wind profiles is conducted to help build a relationship between the intensity and duration of heavy rainfall events during the period 2000–2015. The goal is to develop a proxy by which rainfall events can be predicted more accurately and work towards developing improved operational forecast protocols. In addition, a secondary goal is to evaluate possible connections between AR dynamics as highlighted using Hybrid Single‐Particle Lagrangian Integrated Trajectory (HYSPLIT) backwards trajectories, and the intensity as well as duration of heavy rainfall events. We find that while the synoptic‐scale pattern that produces ARs is similar to other AR studies, there are some differences in the synoptic‐scale environments consistent with the study of inter‐annual variability in this region. Also, while much of the moisture ingested by ARs comes from the Gulf and Caribbean, if moisture comes from the Atlantic region there is a potential for larger rainfall events. Finally, an analysis of upper‐air soundings shows some key differences between warm and cold season ARs, and possibly inter‐annual variations as well.
The Preparation of a Novel Corrosion Inhibitor and Its Corrosion Inhibition Behavior on 2024 Al‐Cu‐Mg Alloy in Acid Solution
Authors: Juan Du , Shuai Jia , Fan Yang , Ziming Wei , Haipeng Song , Xudong Yang , Fusheng Wang
Published: March 2019

A new corrosion inhibitor was synthesized from chloroacetyl chloride, 1,3‐propanediamine, and dodecyldimethyl tertiary amine. The structure of the synthesized product was characterized using Fourier transform infrared(FTIR). The critical micelle concentration (CMC) was determined from surface tension measurements. The inhibition behavior of the corrosion inhibitor for 2024 Al‐Cu‐Mg alloy was studied using the weight‐loss method and electrochemical measurements in hydrochloric acid solution. Experimental results show: The CMC is 7.767 × 10−4 mol L−1 and IE (C
pro = 1 × 10−3 mol L−1) ≈ 87.9%. The adsorption free energy is calculated to be −33.12 kJ mol−1. Therefore, the adsorption mode is more inclined to physical adsorption. When the concentration of the synthesized product is lower than the CMC, it satisfies the Langmuir adsorption model; when the concentration is higher than the CMC, it no longer follows the Langmuir adsorption model.
A national analysis of patterns of care and outcomes for adults diagnosed with desmoplastic small round cell tumors in the United States
Authors: Gani Faiz , Goel Utkarsh , Canner Joseph K. , Meyer Christian F. , Johnston Fabian M.
Published: March 2019

Background

Because of the rarity of desmoplastic small round cell tumors (DSRCT), there is a lack of data describing patterns of care and survival for these patients. Using a national tumor registry, the current study sought to describe patterns of care and clinical outcomes for patients with DSCRT.

Methods

Data from the National Cancer Database were used to identify 491 patients aged 18 years or older diagnosed with DSRCT between 2004 and 2014. Multivariable Cox proportional hazards regression analysis was used to identify factors associated with overall survival (OS).

Results

Among all patients, 41.2% (n = 200), underwent surgical resection of their primary tumor, chemotherapy was administered to 86.5% (n = 415) of patients, while radiation therapy was administered to 13.0% (n = 63) of patients. Over the study, 69.7% of patients died with a median OS of 25.9 months (interquartile range [IQR]: 22.7‐27.5); 1‐, 3‐, and 5‐year OS were 78.6%, 32.3%, and 18.4%, respectively. On multivariable analysis, stage IV disease (Hazard ﻿Ratio [HR] = 2.12, 95% CI: 1.41‐3.18), receipt of surgery (HR = 0.68, 95% CI: 0.50‐0.91), chemotherapy (HR = 0.52, 95% CI: 0.35‐0.78), or radiation therapy (HR = 0.55, 95% CI: 0.33‐0.92) were independently associated with OS.

Conclusions

Although receipt of multimodality treatment may lead to improved survival, further research and clinical trials are required to establish best practices for the care of DSRCT.
Screening and isolation of cyclooxygenase‐2 inhibitors from the stem bark of Phellodendron amurense Ruprecht by ultrafiltration with liquid chromatography and tandem mass spectrometry, and complex chromatography
Authors: Li Sainan , Zhang Yuchi , Shi Dongfang , Hou Wanchao , Xia Jianli , Liu Chunming
Published: March 2019

Nonsteroidal anti‐inflammatory drugs appear to reduce the risk of developing cancer. One mechanism through which nonsteroidal anti‐inflammatory drugs act to prevent carcinogenesis is inhibition of the activity of the enzyme cyclooxygenase‐2. The cyclooxygenase‐2 inhibitors are widely used to reduce the risk of developing cancer. Natural products are considered to be a promising source of several novel cyclooxygenase‐2 inhibitors. Ultrafiltration with liquid chromatography and mass spectrometry is an efficient method that can be applied to rapidly screen and identify the ligands from the barks of Phellodendron amurense Ruprecht. A continuous online method comprised of pressurized liquid extraction, countercurrent chromatography, and semi‐preparative liquid chromatography was developed for the efficient scaled‐up production of eight compounds with high purities. The bioactivities of the separated compounds were assessed by an in vitro enzyme inhibition assay. The use of bioactivity screening method combined with preparation method of bioactive compounds and an in vitro enzyme inhibition assay facilitated the efficient screening and isolation of the cyclooxygenase‐2 inhibitors from complex samples. This could be used as an efficient method for the large‐scale production of functional ingredients.
Sentinel lymph node biopsy for high‐risk cutaneous squamous cell carcinoma of the head and neck
Authors: Wu Michael P. , Sethi Rosh K. V. , Emerick Kevin S.
Published: March 2019

Objectives/Hypothesis

To describe outcomes of a single institution experience with sentinel lymph node biopsy (SLNB) for high‐risk cutaneous squamous cell carcinoma of the head and neck.

Study Design

Retrospective case series.

Methods

Chart review was performed for patients who presented with clinically node negative cutaneous squamous cell carcinoma of the head and neck between December 2007 and May 2018. Patients who met high‐risk criteria underwent SLNB and excision, with or without adjuvant therapy. Patients who underwent prior neck dissection were excluded. The main outcomes were SLNB result, lymph node spread, recurrence‐free survival, disease‐specific survival, and overall survival.

Results

Eighty‐three patients underwent successful SLNB, and one patient underwent selective neck dissection for intraoperatively identified occult lymph node metastasis. Five patients (6%) had a sentinel node positive for tumor, of whom 4/5 received further treatment (neck dissection, radiation, and/or systemic therapy) with no further recurrence at the time of last follow‐up. SLNB had a negative predictive value of 95% to 100%. Recurrent tumor at presentation, tumor arising from an area of chronic inflammation, and immunosuppression were significantly associated with increased risk of subsequent recurrence, with a mean follow‐up of 19.9 months.

Conclusions

SLNB can be used to identify regional lymph node metastases in cutaneous squamous cell carcinoma of the head and neck with a high negative predictive value (95%–100%). Factors associated with recurrence were tumor being locally recurrent at presentation, arising from an area of chronic inflammation, and immunosuppression.

Level of Evidence

4 Laryngoscope, 130:108–114, 2020
Characterization of the transmission behavior of dental filling materials and cements for the diode lasers’ and the Nd:YAG laser's wavelengths
Authors: Diebolder Rolf , Schmid Carmen U. , Luthardt Ralph G. , Rudolph Heike , Kuhn Katharina
Published: March 2019

Objectives

Diode lasers and the Nd:YAG laser are used in periodontal therapy and soft tissue surgery. Dental filling materials or cements might be inadvertently damaged. The underlying mechanism of the damage is based on the dental material's specific transmission and thus absorption behavior.

Materials and Methods

Twenty‐four material representatives for composites, glass ionomer cements and other material classes (e.g., compomer) were processed to 100 μm and 200 μm planar specimens and spectroscopically measured for their collimated transmission in the photo spectrometer Varian Cary 5000. The (1) mean intensity of transmitted light was determined for the laser wavelengths of interest (810 nm, 940 nm, 980 nm, 1,064 nm) and used to calculate the (2) absorption lengths.

Results

The (1) mean intensity of transmitted light ranged between 9.51 % (Panavia F 2.0 for 810 nm) and 96.79% (Artegral Cem for 1,064 nm) for the composite specimens (100 μm) and was—with few exceptions—near zero for the representatives of glass ionomer cement and the other material classes. The (2) absorption lengths were between 0.06 mm (Panavia F 2.0 for all wavelengths of interest) and 1.33 mm (Coltène Duo Cement Plus for 1,064 nm) for the composites and below or equal 0.15 mm (PermaCem for 1,064 nm) for the few representatives of glass ionomer cements and the other material classes with mean intensities of transmitted light, which were not near zero and thus permitted to calculate absorption lengths.

Conclusions

The transmission behavior varied between the different material classes and even within, albeit less pronounced. Composites generally showed the highest intensities of transmitted light and are thus least susceptible to surface damage by laser light (810 nm, 940 nm, 980 nm, 1,064 nm). The results can be used to improve and develop laser applications involving purposeful interactions between laser light and dental materials. Lasers Surg. Med. © 2019 Wiley Periodicals, Inc.
A fractional order HIV/AIDS model based on the effect of screening of unaware infectives
Authors: Babaei Afshin , Jafari Hossein , Ahmadi Masoumeh
Published: March 2019

In this paper, a fractional order model for the spread of human immunodeficiency virus (HIV) infection is proposed to study the effect of screening of unaware infected individuals on the spread of the HIV virus. For this purpose, local asymptotic stability analysis of the disease‐free equilibrium is investigated. In addition, the model is studied for different values of the fractional order to show the relation between the variations of the reproduction number and the order of the proposed model. Finally, numerical solutions are simulated by using a predictor‐corrector method to illustrate the dynamics between susceptible individuals and unaware infected individuals.
Miniaturized conductor‐backed CPW high‐pass filter for C‐band satellite applications
Authors: Souprayen Oudaya Coumar , Sadasivam Tamilselvan
Published: March 2019

A miniaturized conductor‐backed coplanar waveguide high‐pass filter for C‐band satellite applications is presented in this article. It consists of high impedance line and hexagonal resonator with interdigital coupling implemented in coplanar by etching square ring metallic pattern at the ground plane of the substrate. The necessary transmission zero is obtained by the shunt connected square ring pattern. The hexagonal resonator arrangement is used to produce band pass characteristics and the back side strip introduces capacitance effect thereby improving the rejection level. Hence, the filter behaves as high‐pass filter. Design, simulation, and fabrication of Satellite C‐band high‐pass filter characteristics are investigated. The proposed filter yields excellent band width starts from 2 to 8 GHz at 10 dB. Hence, the proposed filter will be best suitable for Satellite C‐band applications. The overall size of filter is achieved to be 39 mm × 8 mm × 1.6 mm on accounting all the features. The fractional band width of the filter is calculated from bandwidth to center frequency ratio and it is found 120%. S‐parameter results of high‐pass filter are return loss (RL) S11 is about −30 dB and insertion loss (IL) S21 is −0.98 dB are obtained in simulation. Whereas in the measurement, the RL is nearly −25 dB and IL is −2 dB.
Early stages of fat crystallisation evaluated by low‐field NMR and small‐angle X‐ray scattering
Authors: Ladd Parada Marjorie , Povey Megan J. , Vieira Josélio , Rappolt Michael , Ries Michael E.
Published: March 2019

Low‐field time‐domain nuclear magnetic resonance (NMR; 20 MHz) is commonly used in the studies of fats in the form of solid fat content (SFC) measurements. However, it has the disadvantage of low sensitivity to small amounts of crystalline material (0.5%), thus often incorrectly determining crystallisation induction times. From spin–lattice relaxation rate measurements (R1) during the isothermal crystallisation measurements of cocoa butter between 0.01 and 10 MHz using fast field cycling NMR, we learnt previously that the most sensitive frequency region is below 1 MHz. Thus, we focused on analysing our 10‐kHz data in detail, by observing the time dependence of R1 and comparing it with standard SFCNMR and SFC determinations from small‐angle X‐ray scattering (SFCSAXS). Although not reflecting directly the SFC, the R1 at this low frequency is very sensitive to changes in molecular aggregation and hence potentially serving as an alternative for determination of crystallisation induction times. Alongside R1, we also show that SFCSAXS is more sensitive to early stages of crystallisation, that is, standard SFCNMR determinations become more relevant when crystal growth starts to dominate the crystallisation process but fail to pick up earlier crystallisation steps. This paper thus demonstrates the potential of studying triacylglycerols at frequencies below 1 MHz for obtaining further understanding of the early crystallisation stages of fats and presents an alternative and complementary method to estimate SFC by SAXS.
Psychometric Evaluation of the Barriers to Healthy Eating Scale: Results from Four Independent Weight Loss Studies
Authors: Sun Ran , Rohay Jeffrey M. , Sereika Susan M. , Zheng Yaguang , Yu Yang , Burke Lora E.
Published: March 2019

Objective

The purpose of this study was to evaluate the psychometric properties of the 22‐item Barriers to Healthy Eating (BHE) scale in four independent weight loss studies conducted over 13 years.

Methods

Principal axis factoring with promax rotation was performed to reveal the underlying factor structure. Internal consistency was assessed using Cronbach α, and convergent validity was assessed by correlating the baseline BHE with the Weight Efficacy Lifestyle questionnaire total and subscale scores. Predictive validity was examined by the association of BHE change with weight loss over 6 months.

Results

The four studies had similar gender (82.9%‐89.9% female) and race (70.5%‐81.4% white) distributions. Factor analyses suggested removal of two items and a three‐factor structure: self‐control and motivation (10 items), daily mechanics (7 items), and social support (3 items). The Cronbach α for the 20‐item BHE ranged from 0.849 to 0.881 across the four studies. The BHE and Weight Efficacy Lifestyle questionnaire total and subscale scores were all negatively correlated with each other, showing good convergent validity (r = 0.120‐0.544, P < 0.05). BHE change was associated with weight loss from 0 to 6 months (r = 0.282‐0.450, P < 0.05).

Conclusions

The BHE scale showed very good psychometric properties over time, supporting its use in measuring barriers to one’s ability to adopt or maintain a healthy eating plan.
Discriminating bulk versus interface shunts in organic solar cells by advanced imaging techniques
Authors: Karl André , Osvet Andres , Vetter Andreas , Maisch Philipp , Li Ning , Egelhaaf Hans‐Joachim , Brabec Christoph J.
Published: March 2019

An important aspect when upscaling organic photovoltaics from laboratory to industrial scale is quality control. Established imaging techniques like lock‐in thermography or luminescence imaging are frequently used for this purpose. While these techniques allow for the lateral detection of defects, they cannot provide information on the vertical position of the defect in the OPV stack. Here, we present an approach to overcome this limitation. A femtosecond‐laser is deployed to introduce well‐defined artificial calibration defects selectively into both the interface and the bulk active layer of inverted P3HT:PCBM bulk heterojunction cells during device fabrication. The defective cells are then characterized using J‐V analysis and several nondestructive imaging methods (dark lock‐in thermography, photoluminescence, and electroluminescence imaging). The distinct response for each defect in the different imaging methods enables us to uniquely distinguish between bulk and interface defects. This allows to study surface recombination under most controlled conditions.
Interdisciplinary Treatment of Functional Neurological Symptom Disorder in an Inpatient Rehabilitation Setting: A Case Report
Authors: Hardin Abigail S. , Carson Cody
Published: March 2019

Inpatient rehabilitation (IR) units represent a unique opportunity to provide comprehensive, wraparound care for typically treatment resistant Functional Neurologic Symptom Disorder (FNSD) or conversion disorder. The case report presents one example of an IR program for a patient with FNSD‐based cataplexia and paralysis symptoms. Orienting an FNSD‐naïve staff and an operant behavioral‐based treatment approach are discussed. Included are recommendations for use in an IR setting.
Equation of State of Detonation Products Based on Exponential‐6 Potential Model and Analytical Representation of the Excess Helmholtz Free Energy
Authors: Suceska Muhamed , Braithwaite Martin , Klapötke Thomas M. , Stimac Barbara
Published: March 2019

One of the most important tasks associated with theoretical prediction of performance of explosives by thermochemical calculation is accurate description of the equation of state (EOS) of detonation products. Widely used empirical equations of state, such is Becker‐Kistiakowsky‐Wilson (BKW EOS), have limited accuracy when it comes to energetic materials with unusual elemental composition. Replacing empirical EOS with more sophisticated and theoretically based EOS, the accuracy of thermochemical calculations can be increase. We present an equation of state of detonation products based on the Buckingham α‐exponential‐6 equation (Exp‐6) and an analytical representation of the excess thermodynamic functions for classical fluid mixture. The excess Helmholtz free energy, as a function of reduced density, temperature, and stiffness parameter, is calculated applying KLRR perturbation statistical mechanical theory, and so obtained data are approximated by multinomial coefficients. The interpolation domain is defined so to describe accurately the range of pressures, densities, and temperatures relevant for detonation studies. The equation is incorporated in EXPLO5 thermochemical code. Good agreement with Monte‐Carlo calculations is obtained, as well as between calculated and experimental detonation parameters for a series of explosives.
Identification of a targeting‐delivery peptide based on rhCNB
Authors: Yang Jinju , Gao Yadan , Zhu Ziwei , Qin Nannan , Wei Qun
Published: March 2019

Calcineurin B subunit (CNB) is the regulatory subunit of calcineurin (CN), and its classical function is to regulate the activity of CN. Research in our laboratory has revealed that the recombinant human CNB (rhCNB) is a good antitumor candidate and can be internalized by tumor cells via TLR4 receptor complexes and targeted to tumor tissue in nude mice. However, the fragment or domain of rhCNB mediating internalization and target delivery has not been identified. To explore fragment‐ mediated rhCNB internalization and target delivery, we generated truncated derivatives of rhCNBs by recombinant DNA technology and examined their cellular uptake. Interactions between truncated rhCNBs and the TLR4 receptor were studied by ELISA and co‐immunoprecipitation, and targeting of model tumors in nude mice was examined. The results showed that one truncated derivative, Trun3 (124‐169aa), was taken up by cells and targeted tumors with almost the same efficiency as intact rhCNB. These results indicate that Trun3 (45aa) contains the major sequence responsible for rhCNB internalization and tumor targeting and might be developed for drug delivery to tumors.
Nanoparticle‐Regulated Semiartificial Magnetotactic Bacteria with Tunable Magnetic Moment and Magnetic Sensitivity
Authors: Li Qilong , Chen Haitao , Feng Xueyan , Yu Chanchan , Feng Feng , Chai Yahong , Lu Pan , Song Tao , Wang Xiuyu , Yao Li
Published: March 2019

Micro‐/nanomotors are widely used in micro‐/nanoprocessing, cargo transportation, and other microscale tasks because of their ability to move independently. Many biological hybrid motors based on bacteria have been developed. Magnetotactic bacteria (MTB) have been employed as motors in biological systems because of their good biocompatibility and magnetotactic motion in magnetic fields. However, the magnetotaxis of MTB is difficult to control due to the lack of effective methods. Herein, a strategy that enables control over the motion of MTB is presented. By depositing synthetic Fe3O4 magnetic nanoparticles on the surface of MTB, semiartificial magnetotactic bacteria (SAMTB) are produced. The overall magnetic properties of SAMTB, including saturation magnetization, residual magnetization, and blocking temperature, are regulated in a multivariate and multilevel fashion, thus regulating the magnetic sensitivity of SAMTB. This strategy provides a feasible method to manoeuvre MTB for applications in complex fluid environments, such as magnetic drug release systems and real‐time tracking systems. Furthermore, this concept and methodology provide a paradigm for controlling the mobility of micro‐/nanomotors based on natural small organisms.