bluuebunny/crossref_metadata_2025_split huggingface dataset:
Energy‐dependent normal and unusually large inverse chlorine kinetic isotope effects of simple chlorohydrocarbons in collision‐induced dissociation by gas chromatography‐electron ionization‐tandem mass spectrometry
Authors: Tang Caiming , Tan Jianhua , Zhang Peilin , Fan Yujuan , Yu Zhiqiang , Peng Xianzhi 
Published: April 2020

AbstractKinetic isotope effects (KIEs) occurring in mass spectrometry (MS) can provide in‐depth insights into the fragmentation behaviors of compounds of interest in MS. Yet, the fundamentals of KIEs in collision‐induced dissociation (CID) in tandem mass spectrometry (MS/MS) are unclear, and information about chlorine KIEs (Cl‐KIEs) of organochlorines in MS is particularly scarce. This study investigated the Cl‐KIEs of dichloromethane, trichloroethylene, and tetrachloroethylene during CID using gas chromatography‐electron ionization triple‐quadrupole MS/MS. Cl‐KIEs were evaluated with MS signal intensities. All the organochlorines presented large inverse Cl‐KIEs (<1, the departures of Cl‐KIEs from 1 denote the magnitudes of Cl‐KIEs), showing the largest magnitudes of 0.797, 0.910, and 0.892 at the highest collision energy (60 eV) for dichloromethane, trichloroethylene, and tetrachloroethylene, respectively. For dichloromethane, both intra‐ion and inter‐ion Cl‐KIEs were studied, within the ranges of 0.820–1.020 and 0.797–1.016, respectively, showing both normal and inverse Cl‐KIEs depending on collision energies. The observed Cl‐KIEs generally declined from large normal to extremely large inverse values with increasing collision energies from 0 to 60 eV but were inferred to be independent of MS signal intensities. The Cl‐KIEs are dominated by critical energies at low internal energies of precursor ions, resulting in normal Cl‐KIEs; while at high internal energies, the Cl‐KIEs are controlled by rotational barriers (or looseness/tightness of transition states), which lead to isotope‐competitive reactions in dechlorination and thereby inverse Cl‐KIEs. It is concluded that the Cl‐KIEs may depend on critical energies, bond strengths, available internal energies, and transition state looseness/tightness. The findings of this study yield new insights into the fundamentals of Cl‐KIEs of organochlorines during CID and may be conducive to elucidating the underlying mechanisms of KIEs in collision‐induced and photo‐induced reactions in the actual world.
Impact of the September Silk Road Pattern on the South China Sea summer monsoon withdrawal
Authors: Hu Peng , Chen Wen , Chen Shangfeng , Liu Yuyun , Wang Lin , Huang Ruping 
Published: April 2020

AbstractThe Silk Road Pattern (SRP) is the dominant teleconnection in the upper troposphere and is closely linked to the Asian summer monsoon in both India and subtropical East Asia. This study reveals a close interannual relationship between the SRP in September and the South China Sea (SCS) summer monsoon (SCSSM) withdrawal. During positive phases of the September SRP (characterized by negative geopotential height anomalies over eastern Europe and central China and positive geopotential height anomalies over western Europe, western and central Asia, and Northeast Asia), withdrawal of the SCSSM tends to be later than normal. The September SRP could impact the SCSSM withdrawal via modulating atmospheric circulation anomalies over the SCS. In particular, the notable low‐level cyclonic anomaly over central China related to the positive phase of the September SRP induces significant southwesterly wind anomalies over the northern SCS, which favour a late withdrawal of the SCSSM. This study suggests that besides the tropical factors that have been identified by previous studies, the climate systems over mid‐latitudes may also play an important role in contributing to interannual variability of the SCSSM withdrawal.
Precipitation trends in the island of Ireland using a dense, homogenized, observational dataset
Authors: Domonkos Peter , Coll John , Guijarro José , Curley Mary , Rustemeier Elke , Aguilar Enric , Walsh Séamus , Sweeney John 
Published: April 2020

AbstractA dense monthly precipitation dataset of Ireland and Northern Ireland was homogenized with several modern homogenization methods. The efficiency of these homogenizations was tested by examining the similarity of homogenization results both in the real data homogenization and in the homogenization of a simulated dataset. The analysis of homogenization results shows that the real dataset is characterized by a large number of, but mostly small, non‐climatic biases, and a moderate reduction of such biases can be achieved with homogenization. Finally, a combination of the ACMANT and Climatol homogenization results was applied to improve the data accuracy before the trend calculations. These two methods were selected for their proven high accuracy, missing data tolerance and ability to complete time series via the infilling of missing values before the trend calculations. Metadata were used within the Climatol method. To facilitate this analysis the study area was split into smaller climatic regions by using the Ward clustering method. Five climatic zones consistent with the known spatial patterns of precipitation in Ireland were established. Linear regression fitting and the Mann‐Kendall test were applied. Low frequency fluctuations were also examined by applying a Gaussian filter. The results show that the precipitation amount generally increases in the study area, particularly in the northwestern region. The most significant increasing trends for the whole study period (1941–2010) are found for late winter and spring precipitation, as well as for the annual totals. In the period from the early 1970s the increase of precipitation is general in all seasons of the year except in winter, but the statistical significance of this increase is weak.
Sr isotope composition of Golden Delicious apples in Northern Italy reflects the soil 87Sr/86Sr ratio of the cultivation area
Authors: Aguzzoni Agnese , Bassi Michele , Pignotti Emanuela , Robatscher Peter , Scandellari Francesca , Tirler Werner , Tagliavini Massimo 
Published: April 2020

AbstractBACKGROUNDApples have a leading role in the Italian fruit sector, and high‐quality apples, including the Golden Delicious variety, are cultivated mainly in the Northern mountain districts. In the present study, Golden Delicious apples from PDO (Protected Designation of Origin) and PGI (Protected Geographical Indication) cultivation districts were characterized according to their Sr isotope composition and compared with apples from other Northern Italian districts.RESULTSApples collected in two consecutive years (2017 and 2018) confirmed the low annual variability of the 87Sr/86Sr ratio. The isotope ratio of apples was highly correlated with that of the soil extracts of the respective orchards. Statistical differences were highlighted between cultivation districts. However, because similar geological features characterized some areas, their ratios overlapped and a complete separation of the districts was not possible.CONCLUSIONThe 87Sr/86Sr ratio is an excellent marker for studies of food traceability because it retains the information about the place of origin. However, its strength is limited when comparing products from cultivation areas sharing similar geological features. In the perspective of geographical traceability, a multichemical characterization can overcome the limits of single‐parameter approach. © 2020 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Identification of components and metabolites in plasma of type 2 diabetic rat after oral administration of Jiao‐Tai‐Wan using ultra‐performance liquid chromatography/quadrupole time‐of‐flight mass spectrometry
Authors: Li Zhihui , Chen Jianhua , Gao Xing , Zhang Ting , Zheng Wei , Wei Guijie , Huang Yunfang , Qi Jing , Zhang Yujie , Ma Pengkai 
Published: April 2020

AbstractJiao‐Tai‐Wan, which is composed of Coptis Rhizoma and Cinnamon Cortex, has been recently used to treat type 2 diabetes. Owing to lack of data on its prototypes and metabolites, elucidation of the pharmacological and clinically safe levels of this formula has been significantly hindered. To screen more potential bioactive components of Jiao‐Tai‐Wan, we identified its multiple prototypes and metabolites in the plasma of type 2 diabetic rats by ultra high performance liquid chromatography/quadrupole‐time‐of‐flight mass spectrometry. A total of 47 compounds were identified in the plasma of type 2 diabetic rats, including 22 prototypes and 25 metabolites, with alkaloids constituting the majority of the absorbed prototype components. In addition, this is the first study to detect vanillic acid, gallic acid, chlorogenic acid, protocatechuic acid, 2‐hydroxycinnamic acid, 3‐hydroxycinnamic acid, 4‐hydroxycinnamic acid, and 2‐methoxy cinnamic acid after oral administration of Jiao‐Tai‐Wan. The prototypes from Jiao‐Tai‐Wan were extensively metabolized by demethylation, hydroxylation, and reduction in phase Ⅰ metabolic reactions and by methylation or conjugation of glucuronide or sulfate in phase Ⅱ reactions. This is the first systematic study on the components and metabolic profiles of Jiao‐Tai‐Wan in vivo. This study provides a useful chemical basis for further pharmacological research and clinical application of Jiao‐Tai‐Wan.
The Role of Salvage Transplantation in Patients Initially Treated With Open Versus Minimally Invasive Liver Surgery: An Intention‐to‐Treat Analysis
Authors: Levi Sandri Giovanni B. , Lai Quirino , Ravaioli Matteo , Di Sandro Stefano , Balzano Emanuele , Pagano Duilio , Magistri Paolo , Di Benedetto Fabrizio , Rossi Massimo , Gruttadauria Salvatore , De Simone Paolo , Ettorre Giuseppe M. , De Carlis Luciano , Cescon Matteo , Colasanti Marco , Mennini Gianluca , Serenari Matteo , Ferla Fabio , Tincani Giovanni , Francesco Fabrizio Di , Guidetti Cristiano 
Published: April 2020

Despite gaining wide consensus in the management of hepatocellular carcinoma (HCC), minimally invasive liver surgery (MILS) has been poorly investigated for its role in the setting of salvage liver transplantation (SLT). A multicenter retrospective analysis was carried out in 6 Italian centers on 211 patients with HCC who were initially resected with open (n = 167) versus MILS (n = 44) and eventually wait‐listed for SLT. The secondary endpoint was identification of risk factors for posttransplant death and tumor recurrence. The enrolled patients included 211 HCC patients resected with open surgery (n = 167) versus MILS (n = 44) and wait‐listed for SLT between January 2007 and December 2017. We analyzed the intention‐to‐treat survival of these patients. MILS was the most important protective factor for the composite risk of delisting, posttransplant patient death, and HCC recurrence (OR, 0.26; 95% confidence interval [CI], 0.11‐0.63; P = 0.003). MILS was also the only independent protective factor for the risk of post‐SLT patient death (OR, 0.29; 95% CI, 0.09‐0.93; P = 0.04). After propensity score matching, MILS was the only independent protective factor against the risk of delisting, posttransplant death, and HCC recurrence (OR, 0.22; 95% CI, 0.07‐0.75; P = 0.02). On the basis of the current analysis, MILS seems protective over open surgery for the risk of delisting, posttransplant patient death, and tumor recurrence. Larger prospective studies balancing liver function and tumor stage are strongly favored to better clarify the beneficial effect of MILS for HCC patients eventually referred to SLT.
FACING A TOUGH PROBLEM? TRY REFRAMING IT
Authors: Wedell‐Wedellsborg Thomas 
Published: April 2020

AbstractThis article discusses the need for leaders to reframe problems, by changing perspectives. Reframing is not a new process; in 1938, Albert Einstein and his fellow physicist Leopold Infeld wrote about the need “to regard old problems from a new angle.” Reframing strategies here are headed into sections: 1. First, frame the Problem 2. Use outsiders to test your problem framing 3. Look outside the frame 4. Devise a hard test. Various examples are provided, in companies such as Cisco, Samsung, and Managed by Q. Also described is the work of Georgina de Rocquigny, founder of the Hong Kong–based branding agency Untapped. She was tapped by a local management consulting firm that wanted to become known as a strategy firm, but her interviews and research turned up something different. The end result was a powerful new positioning around bridging strategy and execution that has resonated with the firm and its clients, and has contributed to the firm's continued growth. As noted in the Samsung example, don't just focus on the product itself, or the problems you already know about. Take a step back and focus on the entire situation, seeking to discover pain points that have hitherto gone unnoticed.
CONSCIOUS LEADERSHIP: MOVING TO AN INTENTIONAL FOCUS FOR A THRIVING WORKPLACE CULTURE
Authors: Wallace Natasha 
Published: April 2020

AbstractBased on observation and her own experience, the author contends that people who are successful in their functional roles are promoted into management roles and expected to lead. Some organizations figure out that developing leadership capability at the earliest stages is central to success. However, in helping leaders achieve better performance, we're not seeing enough of that investment. The author learned leadership the hard way: through making it up. She draws on her own experience moving from sales into a managerial/leadership role and on research from professors Amy Edmondson of Harvard Business School and Martin Seligman of the University of Pennsylvania. The author expounds on the following steps for new leaders: (1) wise up, (2) accept you'll need to change, (3) leadership is a balancing act, and (4) stay connected. For instance, within point 2; regardless of how good you are at delivering, project managing, and managing efficiency, you won't come into leadership as a fully rounded leader. There are also steps for employers: (1) mentor them, (2) build leadership mind‐set early, (3) promote based on technical and behavioral competence, and (4) create a listening culture. Within point 3, no one should be promoted for technical or professional capability alone.
Selective Control of Cell Activity with Hydrophilic Polymer‐Covered Cationic Nanoparticles
Authors: Lin Hsiu‐Pen , Akimoto Jun , Li Yaw‐Kuen , Ito Yoshihiro 
Published: April 2020

AbstractCationic polymers exhibit high cytotoxicity via strong interaction with cell membranes. To reduce cell membrane damage, a hydrophilic polymer is introduced to the cationic nanoparticle surface. The hydrophilic polymer coating of cationic nanoparticles resulted in a nearly neutral nanoparticle. These particles are applied to mouse fibroblast (3T3) and human cervical adenocarcinoma (Hela) cells. Interestingly, nanoparticles with a long cationic segment decrease cell activity regardless of cell type, while those with a short segment only affect 3T3 cell activity at lower concentrations less than 500 µg mL−1. Most nanoparticles are located inside 3T3 cells but on the cell membrane of Hela cells. The short cationic nanoparticle shows negligible cell membrane damage despite its high accumulation on Hela cell membranes. Cell activity changed by hydrophilic polymer‐coated cationic nanoparticles is caused by incorporated nanoparticle accumulation in the cells, not cell membrane damage. To suppress the cytotoxicity from the cationic polymer, cationic nanoparticle needs to completely cover with hydrophilic polymer so as not to exhibit the cationic effect and applies to cell with low concentrations to reduce the nonselective cytotoxicity from the cationic polymer.
A fibrinogen biosensing platform based on plasmonic Ga nanoparticles and aminosilane–titanate antibody trapping
Authors: Magdaleno Alvaro J. , Gordillo Nuria , Pau Jose Luis , Manso Silván Miguel 
Published: April 2020

AbstractThe era of personalized medicine calls for rapid detection of key biomolecules, such as serum proteins, as general indicators of a healthy/sickness state. The fabrication, biofunctionalization and calibration of a fibrinogen biosensing platform based on plasmonic gallium nanoparticles are detailed in the present work. The first step consisted in the deposition of Ga nanoparticles on Si substrates by means of Joule‐effect thermal evaporation technique. A distribution of nanodroplets could be evidenced by scanning electron microscopy. The biofunctionalization of the samples was carried out using aminosilane–titanate thin hybrid layers prepared by a sol–gel route. The integration of functional amino groups could be confirmed by spectroscopic methods. Then, in order to sensitize the platform surface to fibrinogen, specific immunoglobulins have been immobilized. We monitored the plasmon wavelength changes along the fabrication cascade and during detection assays with calibrated fibrinogen solutions in phosphate‐buffered saline. From the ellipsometric analysis, three operational ranges as a function of fibrinogen concentration can be identified, with an out‐of‐range response for low concentration, a linear response behaviour in the 1–10 µM healthy range and a tendency to saturation at high concentration.
Adaptive neuro‐fuzzy inference system to estimate the predictability of visibility during fog over Delhi, India
Authors: Goswami S. , Chaudhuri S. , Das D. , Sarkar I. , Basu D. 
Published: April 2020

AbstractIn the present research it was attempted to estimate the predictability of visibility during fog over the airport of the most polluted city Delhi (28 ° 38 ′ N, 77 ° 12 ′ E), India, with an adaptive neuro‐fuzzy inference system (ANFIS). The investigation started with the evaluation of fuzzy membership to categorize the data into different ranges. The output variables of fuzzy membership are used as the input in the multilayer perceptron model of artificial neural networks. In this hybrid computing system, the ANFIS was trained with the data from 2000 to 2010 for estimating the predictability of visibility during fog over Delhi airport. The results show that the ANFIS provides minimum forecast errors (9.09%) with 12 hr lead time in comparison to other neural network models and the existing forecast models. The results were validated with observations from 2011 to 2015. The coupled model ANFIS shows minimum error in visibility forecasting during fog over Delhi airport with validation from observations as well. The study therefore suggests that the ANFIS may be adopted as an alternative operational model for forecasting visibility during fog with 90.91% accuracy for a 12 hr lead time.
Calculated coupling constants 1J(X–Y) and 1K(X–Y), and fundamental relationships among the reduced coupling constants for molecules HmX–YHn, with X, Y ═ 1H, 7Li, 9Be, 11B, 13C, 15N, 17O, 19F, 31P, 33S, and 35Cl
Authors: Elguero José , Alkorta Ibon , Del Bene Janet E. 
Published: April 2020

AbstractEquation‐of‐motion coupled‐cluster singles and doubles (EOM‐CCSD) calculations have been performed to determine coupling constants 1J(X–Y) for 65 molecules HmX–YHn, with X,Y ═ 1H, 7Li, 9Be, 11B, 13C, 15N, 17O, 19F, 31P, 33S, and 35Cl. The computed 1J(X–Y) values are in good agreement with available experimental data. The reduced coupling constants 1K(X–Y) have been derived from 1J(X–Y) by removing the dependence on the magnetogyric ratios of X and Y. Patterns are found for the reduced coupling constants on a 1K(X–Y) surface that are related to the positions of X and Y in the periodic table.
Ultrasound analysis of cervical paraspinal muscles for needle EMG examination
Authors: Mrkobrada Serge 
Published: April 2020

AbstractBackgroundUltrasound was used to determine optimal needle insertion parameters and assess the vasculature of paraspinal muscles at C5‐T1 spinal levels across patients with different body mass indices (BMIs).MethodsThirty patients underwent ultrasound examination of the cervical paraspinal muscles at the C5‐T1 levels. Images were analyzed to determine the optimal distance and angle of needle insertion to reach the base of the right lamina. Color and spectral Doppler analysis were used to identify and map paraspinal blood vessels.ResultsMean distances and angles varied from 35.1 mm and 17.27 degrees for the low BMI group at C5 to 65.1 mm and 9.85 degrees for the high BMI group at T1. Paraspinal blood vessel mapping revealed a random distribution of vasculature.ConclusionsLonger distances and steeper angles of needle insertion are required for patients with higher BMIs. Cervical paraspinal arteries vary in distribution and can be visualized with ultrasound.
The Origin of the σ‐Hole in Halogen Atoms: a Valence Bond Perspective
Authors: Franchini Davide , Forni Alessandra , Genoni Alessandro , Pieraccini Stefano , Gandini Enrico , Sironi Maurizio 
Published: April 2020

AbstractA detailed Valence Bond‐Spin Coupled analysis of a series of halogenated molecules is here reported, allowing to get a rigorous ab initio demonstration of the qualitative models previously proposed to explain the origin of halogen bonding. The concepts of σ‐hole and negative belt observed around the halogen atoms in the electrostatic potential maps are here interpreted by analysis of the relevant Spin Coupled orbitals.
Development of waste tire‐derived graphene reinforced polypropylene nanocomposites with controlled polymer grade, crystallization and mechanical characteristics via melt‐mixing
Authors: Zanjani Jamal Seyyed Monfared , Poudeh Leila Haghighi , Ozunlu Burcu Girginer , Yagci Yavuz Emre , Menceloglu Yusuf , Saner Okan Burcu 
Published: April 2020

AbstractIn the present work, single layer graphene nanoplatelets (GNPs) derived from waste tires by recycling and upcycling approaches were integrated in homopolymer (Homo‐) and copolymer (Copo‐) polypropylene (PP) matrices by fast and efficient mixing in the melt phase. The effect of GNP content on crystallization and mechanical behaviors was investigated in detail at different loading levels. Regarding isothermal and non‐isothermal crystallization experiments, GNPs significantly accelerated the nucleation and growth of crystallites, and the crystallization degree in Homo‐PP nanocomposites was slightly higher than that of Copo‐PP based nanocomposites. Also, there was significant improvement in mechanical and thermal properties of GNP reinforced polymers compared to neat polymers. As the GNP concentration increased from 1 to 5 wt%, there was a gradual increase in flexural modulus and strength values. In tensile tests, an increase in GNP content in both polymer grades led to a slight increase in yield strength coming from the proper distribution of nano‐reinforcement by creating stress concentration sites. After the yield point, Homo‐PP based nanocomposites showed higher strain hardening than GNP reinforced Copo‐PP owing to a high crystallization degree and linear chains of Homo‐PP. This work showed that functionalized graphene can act as both nucleating and reinforcing agent in the compounding process and its exfoliation through polymer chains is much better in homopolymers at a faster and high shear rate. © 2020 Society of Chemical Industry
Microplasma direct writing of a copper thin film in the atmospheric condition with a novel copper powder electrode
Authors: Wang Tao , Lv Li , Shi Liping , Tong Baohong , Zhang Xingquan , Zhang Guotao , Liu Jingquan 
Published: April 2020

AbstractThis study presents the microplasma direct writing of copper film in the open air using a novel copper powder electrode. The powder electrode acted as a high‐voltage electrode and the precursor source. The deposition process is realized through ion sputtering of the powder in the microplasma. The bombarded copper nanoparticles were deposited and accumulated on a silicon substrate. The deposited film is composed of copper nanoparticles with sizes in the range from tens to hundreds of nanometers, and its electrical conductivity could reach 3.96 × 105 S/m. The morphologies, chemical compositions and electrical property of the thin film can be adjusted by changing the input current, and maskless film deposition with different micropatterns can be achieved by direct microplasma scanning.