bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermochromic Magnetic Ionic Liquids from Cationic Nickel(II) Complexes Exhibiting Intramolecular Coordination Equilibrium
Authors: Lan Xue , Mochida Tomoyuki , Funasako Yusuke , Takahashi Kazuyuki , Sakurai Takahiro , Ohta Hitoshi
Published: November 2016

Among the various thermochromic materials, liquid thermochromic materials are comparatively rare. To produce functional thermochromic liquids, we have designed ionic liquids based on cationic nickel complexes with ether side chains, [Ni(acac)(Me2NC2H4NR1R2)]Tf2N ([1]Tf2N: R1=C3H6OEt, R2=Me; [2]Tf2N: R1=C3H6OMe, R2=Me; [3]Tf2N: R1=R2=C3H6OMe), where acac=acetylacetonate and Tf2N=(F3CSO2)2N−. The side chains (R1, R2) can moderately coordinate to the metal center, enabling temperature‐dependent coordination equilibria in the liquid state. [1]Tf2N is a liquid at room temperature. [2]Tf2N is obtained as a solid (Tm=352.7 K) but remains liquid at room temperature after melting. [3]Tf2N is a solid with a high melting point (Tm=422.3 K). These salts display thermochromism in the liquid state, appearing red at high temperatures and orange, light‐blue, or bluish‐green at lower temperatures, and exhibiting concomitant changes in their magnetic properties. This phenomenon is based on temperature‐dependent equilibrium between a square‐planar diamagnetic species and a paramagnetic species with intramolecular ether coordination.
Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines
Authors: Bertolani Arianna , Pizzi Andrea , Pirrie Lisa , Gazzera Lara , Morra Giulia , Meli Massimiliano , Colombo Giorgio , Genoni Alessandro , Cavallo Gabriella , Terraneo Giancarlo , Metrangolo Pierangelo
Published: November 2016

Although intensively studied, the high‐resolution crystal structure of the peptide DFNKF, the core‐segment of human calcitonin, has never been described. Here we report how the use of iodination as a strategy to promote crystallisation and facilitate phase determination, allowed us to solve, for the first time, the single‐crystal X‐ray structure of a DFNKF derivative. Computational studies suggest that both the iodinated and the wild‐type peptides populate very similar conformations. Furthermore, the conformer found in the solid‐state structure is one of the most populated in solution, making the crystal structure a reliable model for the peptide in solution. The crystal structure of DFNKF(I) confirms the overall features of the amyloid cross‐β spine and highlights how aromatic–aromatic interactions are important structural factors in the self‐assembly of this peptide. A detailed analysis of such interactions is reported.
Interleukin‐37 elevation in patients with atrial fibrillation
Authors: Li Weidong , Li Shijie , Li Xianjin , Jiang Shuzhong , Han Bing
Published: November 2016

Background

Inflammation is closely related to atrial fibrillation (AF) pathogenesis, and interleukin‐37 (IL‐37) represents a new member of the anti‐inflammatory cytokines.

Hypothesis

IL‐37 might play an important role in AF development and act as a potential risk factor for AF diagnosis.

Methods

The mRNA level of IL‐37 in peripheral blood mononuclear cells (PBMCs) and serum IL‐37 levels in AF patients and healthy controls were measured by real‐time polymerase chain reaction (RT‐PCR) and enzyme‐linked immunosorbent assay (ELISA). PBMCs from AF patients were stimulated with recombinant IL‐37. Levels of pro‐inflammatory cytokines IL‐6 and C‐reactive protein were determined by RT‐PCR and ELISA.

Results

IL‐37 mRNAs and serum protein levels were higher in patients with AF or lone AF compared with healthy controls. Patients with paroxysmal AF or persistent AF showed higher IL‐37 mRNAs and serum protein levels compared with those with permanent AF as well as healthy controls. In vitro, IL‐37 inhibited the production of IL‐6 and C‐reactive protein in PBMCs of patients with AF.

Conclusions

IL‐37 is elevated in AF patients and its expression is closely associated with AF subgroups. Thus, IL‐37 may provide a novel research target for the pathogenesis and therapy of AF. This study is the first to document elevated IL‐37 in AF patients.
Cardiopulmonary exercise testing improves diagnostic specificity in patients with echocardiography‐suspected pulmonary hypertension
Authors: Zhao Qin‐Hua , Wang Lan , Pudasaini Bigyan , Jiang Rong , Yuan Ping , Gong Su‐Gang , Guo Jian , Xiao Qiang , Liu Hui , Wu Cheng , Jing Zhi‐Cheng , Liu Jin‐Ming
Published: November 2016

Background

Doppler echocardiography is usually the first diagnostic investigation for patients suspected with pulmonary hypertension (PH), but it is often inaccurate when used alone, especially in mild PH.

Hypothesis

Cardiopulmonary exercise testing (CPET) may serve as a complementary tool to improve diagnostic accuracy in echocardiography‐suspected “PH possible” patients.

Methods

Eighty‐eight consecutive patients with suspected PH (referred to as “PH possible” hereafter) based on echocardiography were included in the study. CPET was assessed subsequently and PH was confirmed by right‐heart catheterization in all subjects. We analyzed CPET data from patients and derived a CPET prediction rule to hemodynamically differentiate PH.

Results

Eighty‐eight patients (27 patients with confirmed PH, and PH ruled out in 61 patients) were included in the study. Compared with non‐PH patients, the PH subjects had lower peak oxygen uptake (VO2
), aerobic capacity (AT), peak partial pressure of end‐tidal CO2
(PETCO2
), oxygen uptake efficiency plateau (OUEP), and oxygen uptake efficiency slope (OUES), along with higher minute ventilation (VE)/carbon dioxide output (VCO2
) slope and lowest VE/VCO2
(P < 0.001). VE/VCO2
slope and AT were independent predictors of PH derived from multivariate logistic regression adjusted for age and body mass index. A score combining VE/VCO2
slope and AT reached a high area under the curve value of 0.98. A score ≥0.5 had 95% specificity and 92.6% sensitivity for diagnosis of PH.

Conclusions

A score combining VE/VCO2
slope and AT provides high specificity in screening out PH from a pool of echocardiography‐suspected PH patients.
HLA‐E allelic genotype correlates with HLA‐E plasma levels and predicts early progression in chronic lymphocytic leukemia
Authors: Wagner Bettina , da Silva Nardi Fabiola , Schramm Sabine , Kraemer Thomas , Celik Alexander A. , Dürig Jan , Horn Peter A. , Dührsen Ulrich , Nückel Holger , Rebmann Vera
Published: November 2016

BACKGROUND

Human leukocyte antigen‐E (HLA‐E) is a nonclassical major histocompatibility complex class I molecule that recently came into sharper focus as a putative marker of advanced tumor stages and disease progression. In solid tumors, increased HLA‐E expression as well as elevated soluble HLA‐E (sHLA‐E) plasma levels are associated with a poor prognosis; however, a role for HLA‐E in hematologic malignancies remains to be established.

METHODS

The authors analyzed HLA‐E alleles and sHLA‐E levels in a cohort of 110 individuals with chronic lymphocytic leukemia (CLL).

RESULTS

In patients with CLL, levels of sHLA‐E increased with advanced disease stage (P = .01) and decreased after therapy (P = .01). Longitudinal follow‐up revealed that both HLA‐E*01:03 alleles and high levels of sHLA‐E were significantly associated with a requirement for early treatment in patients with CLL (P = .027 and P = .023, respectively). In vitro, sHLA‐E inhibited degranulation and interferon‐γ production by natural killer (NK) cells when cocultivated with tumor cells. Moreover, sHLA‐E loaded onto microspheres induced transforming growth factor‐β release by NK cells. Multivariate analysis revealed that the presence of at least 1 HLA‐E*01:03 allele was an independent predictor of a requirement for early treatment.

CONCLUSIONS

HLA‐E alleles and sHLA‐E levels may represent novel biomarkers for early disease progression in patients with CLL. Cancer 2017;123:814–23. © 2016 American Cancer Society.
Ultraviolet and Infrared Spectra of Diboron in Solid Neon at 4 K
Authors: Lo Jen‐Iu , Chou Sheng‐Lung , Lu Hsiao‐Chi , Peng Yu‐Chain , Lin Meng‐Yeh , Cheng Bing‐Ming , Ogilvie J. F.
Published: November 2016

Apart from products H, B, BH, BH2 and BH3 identified from their emission spectra in the UV/Vis region, photolysis of diborane(6) dispersed in solid neon at 4 K with far‐ultraviolet light from a synchrotron led to observation of absorption line (0,0) of the electronic transition A 3Σu−←X 3Σg− of B2 at 326.39 nm. Absorption lines (1,0) of 11B2, 11B10B and 10B2 were recorded at 316.63, 316.40 and 316.15 nm, respectively. ΔG1/2 of state A 3Σu− for 11B2, 11B10B and 10B2 in solid neon are accordingly derived to be 945, 968 and 993 cm−1, respectively. Weak lines (0,1) of 11B2 at 29586 cm−1 and of 11B10B at 29560 cm−1, corresponding to 1042±30 and 1068±30 cm−1 for vibrational modes in the electronic ground state, were recorded in emission. An absorption line recorded at 1066.5±0.5 cm−1 in infrared spectra after photolysis of either B2H6 in Ne or B2D6 with D2 in Ne is thus attributed to 11B10B.
Conductive Polymer Nanosheets Generated from the Crystal Surface of an Organic Oxidant
Authors: Sato Kosuke , Masaki Hirotaka , Arayasu Mirei , Oaki Yuya , Imai Hiroaki
Published: November 2016

Morphology control of conductive polymers contributes to improving electrochemical properties based on their redox‐active nature. In general, it is not easy to achieve simultaneous synthesis and morphology control of conductive polymers because of their low solubility and processability. Here the crystal surface of an organic oxidative agent is used for simultaneous synthesis and morphogenesis of the conductive polymer polypyrrole (PPy) under mild conditions. The oxidant crystal plays multiple roles, serving as the reaction field to supply the oxidative agent, the template for control of hierarchical morphology, and the source of dopant, with diffusion of the monomer vapor under low temperature and ambient pressure. A hollow plate‐like morphology consisting of the PPy nanosheets was obtained from crystals of quinone derivatives through oxidative polymerization in high yield. The resultant PPy nanosheets showed improved conductivity without further doping and enhanced electrochemical properties as an active material of redox capacitors. The present approach using the crystal surface can be applied to a variety of polymerization systems.
Immobilization of Redox Enzymes on Nanoporous Gold Electrodes: Applications in Biofuel Cells
Authors: Siepenkoetter Till , Salaj‐Kosla Urszula , Xiao Xinxin , Conghaile Peter Ó , Pita Marcos , Ludwig Roland , Magner Edmond
Published: November 2016

Nanoporous gold (NPG) electrodes were prepared by dealloying sputtered gold:silver alloys. Electrodes of different thicknesses and pore sizes areas were prepared by varying the temperature and duration of the dealloying procedure; these were then used as supports for FAD‐dependent glucose dehydrogenase (GDH) (Glomorella cingulata) and bilirubin oxidase (BOx) (Myrothecium verrucaria). Glucose dehydrogenase was immobilized by drop‐casting a solution of the enzyme with an osmium redox polymer together with a crosslinked polymer, whereas bilirubin oxidase was attached covalently through carbodiimide coupling to a diazonium‐modified NPG electrode. The stability of the bilirubin‐oxidase‐modified NPG electrode was significantly improved in comparison with that of a planar gold electrode. Enzyme fuel cells were also prepared; the optimal response was obtained with a BOx‐modified NPG cathode (500 nm thickness) and a GDH‐modified anode (300 nm), which generated power densities of 17.5 and 7.0 μW cm−2 in phosphate‐buffered saline and artificial serum, respectively.
Selective Impairments in Covert Shifts of Attention in Chinese Dyslexic Children
Authors: Ding Yun , Zhao Jing , He Tao , Tan Yufei , Zheng Lingshuang , Wang Zhiguo
Published: November 2016

Reading depends heavily on the efficient shift of attention. Mounting evidence has suggested that dyslexics have deficits in covert attentional shift. However, it remains unclear whether dyslexics also have deficits in overt attentional shift. With the majority of relevant studies carried out in alphabetic writing systems, it is also unknown whether the attentional deficits observed in dyslexics are restricted to a particular writing system. The present study examined inhibition of return (IOR)—a major driving force of attentional shifts—in dyslexic children learning to read a logographic script (i.e., Chinese). Robust IOR effects were observed in both covert and overt attentional tasks in two groups of typically developing children, who were age‐ or reading ability‐matched to the dyslexic children. In contrast, the dyslexic children showed IOR in the overt but not in the covert attentional task. We conclude that covert attentional shift is selectively impaired in dyslexic children. This impairment is not restricted to alphabetic writing systems, and it could be a significant contributor to the difficulties encountered by children learning to read. Copyright © 2016 John Wiley & Sons, Ltd.
Integrating data‐deficient species in analyses of evolutionary history loss
Authors: Veron Simon , Penone Caterina , Clergeau Philippe , Costa Gabriel C. , Oliveira Brunno F. , São‐Pedro Vinícius A. , Pavoine Sandrine
Published: November 2016

There is an increasing interest in measuring loss of phylogenetic diversity and evolutionary distinctiveness which together depict the evolutionary history of conservation interest. Those losses are assessed through the evolutionary relationships between species and species threat status or extinction probabilities. Yet, available information is not always sufficient to quantify the threat status of species that are then classified as data deficient. Data‐deficient species are a crucial issue as they cause incomplete assessments of the loss of phylogenetic diversity and evolutionary distinctiveness. We aimed to explore the potential bias caused by data‐deficient species in estimating four widely used indices: HEDGE, EDGE, PDloss, and Expected PDloss. Second, we tested four different widely applicable and multitaxa imputation methods and their potential to minimize the bias for those four indices. Two methods are based on a best‐ vs. worst‐case extinction scenarios, one is based on the frequency distribution of threat status within a taxonomic group and one is based on correlates of extinction risks. We showed that data‐deficient species led to important bias in predictions of evolutionary history loss (especially high underestimation when they were removed). This issue was particularly important when data‐deficient species tended to be clustered in the tree of life. The imputation method based on correlates of extinction risks, especially geographic range size, had the best performance and enabled us to improve risk assessments. Solving threat status of DD species can fundamentally change our understanding of loss of phylogenetic diversity. We found that this loss could be substantially higher than previously found in amphibians, squamate reptiles, and carnivores. We also identified species that are of high priority for the conservation of evolutionary distinctiveness.
Acylchalcogenourea Complexes of Silver(I)
Authors: Dörner Maik , Rautiainen J. Mikko , Rust Jörg , Lehmann Christian W. , Mohr Fabian
Published: November 2016

Acylthio‐ or acylselenoureas react with silver(I) oxide to form tetranuclear silver(I) complexes containing the deprotonated acylchalcogenourea ligands bound to the silver atoms through the chalcogen and oxygen atoms. These tetrasilver(I) species react with either 4 or 8 equiv. of a phosphine to afford either dinuclear silver(I) phosphine complexes or tetrahedral silver diphosphine complexes. In these compounds, the acylchalcogenourea ligands form six‐membered rings by coordinating to the metal atom through the chalcogen and oxygen atoms. In one case, we observed a very rare example of an acylthiourea ligand coordinated through the nitrogen and sulfur atoms to form a four‐membered ring. A silver(I) complex containing a deprotonated acylselenourea and an N‐heterocyclic carbene ligand is also reported. This was prepared from the corresponding acetate derivative and the acylselenourea; in this case, the acetate acts as the base. All of the reported compounds were characterized by spectroscopic techniques, and many were also studied by single‐crystal X‐ray diffraction.
Stereoselective Metal‐Free Reduction of Chiral Imines in Batch and Flow Mode: A Convenient Strategy for the Synthesis of Chiral Active Pharmaceutical Ingredients
Authors: Brenna Davide , Benaglia Maurizio , Porta Riccardo , Fernandes Silvia , Burke Anthony J.
Published: November 2016

The convenient, metal‐free reduction of imines that contain an inexpensive and removable chiral auxiliary allowed for the synthesis of the immediate precursors of chiral active pharmaceutical ingredients (APIs). This protocol was carried out under batch and flow conditions to give the correspoding products in high yields with almost complete stereocontrol. In the presence of trichlorosilane, an inexpensive and nontoxic reducing agent, and an achiral Lewis base such as N,N‐dimethylformamide, the formal syntheses of Rivastgmine, calcimimetic NPS R‐568, and a Rho kinases inhibitor were successfully accomplished. For the first time, both the diastereoselective imine reduction and the auxiliary removal were efficiently performed in a micro‐ or mesoreactor under continuous‐flow conditions, which paved the way towards the development of a practical process for the syntheses of industrially relevant, biologically active, enantiopure N‐alkylamines.
Palladium‐Catalyzed Pyridine‐Directed Regioselective Oxidative C–H Acylation of Carbazoles by Using Aldehydes as the Acyl Source
Authors: Maiti Subhadip , Burgula Laxminarayana , Chakraborti Gargi , Dash Jyotirmayee
Published: November 2016

We herein report a highly regioselective reaction for the palladium‐catalyzed oxidative acylation of carbazole derivatives with various aromatic and aliphatic aldehydes as the acyl source. The carbazole derivatives are N‐protected with an easily removable pyridine moiety, which directs the Pd‐catalyzed ortho acylation to occur at the C‐1 and C‐8 positions. The reactions of dibromo‐ and diiodo‐substituted N‐pyridylcarbazole derivatives, however, provide only the 1‐acylated products. This method can be applied to a broad scope of substrates. A reaction mechanism has also been proposed.
Basal ganglia dysfunction in complex regional pain syndrome – A valid hypothesis?
Authors: Azqueta‐Gavaldon M. , Schulte‐Göcking H. , Storz C. , Azad S. , Reiners A. , Borsook D. , Becerra L. , Kraft E.
Published: November 2016

Complex regional pain syndrome (CRPS) is a poorly understood pain disorder of the limbs. Maladaptive cortical plasticity has been shown to play a major role in its pathophysiological presentation. Recently, there is increasing interest in the role of the basal ganglia (BG), since clinical findings and neuroimaging studies point to possible BG involvement in CRPS. CRPS symptoms are often characterized by movement disorders associated with BG dysfunction. Very frequently, dystonia and tremor are reported and, to a lesser extent, myoclonus. Neuroimaging studies present inconsistent findings concerning altered brain networks and mainly focus on cortical areas. Subcortical contribution to this disorder has so far been neglected. Clinical data presenting BG dysfunction‐related movement disorders in CRPS patients raise the hypothesis of BG dysfunction in this syndrome. Moreover, several neuroimaging studies documented abnormalities in the BG and in the frontal, parietal and limbic cortical areas. These regions are functionally and anatomically connected in motor, pain and working memory networks. Put together, these findings call for further characterization of the dynamic cortical and subcortical interactions in CRPS.

Significance

This paper presents an overview of our current knowledge about BG pathology in CRPS. A better understanding of the involvement of the BG in the CRPS pathology holds the potential for developing and improving efficacious, mechanism‐based treatment modalities.
Thermal and die electric properties of chemically modified municipal solid waste and banana fiber reinforced polymer composites
Authors: Ronald Aseer J. , Sankaranarayanasamy K. , Jayabalan P. , Natarajan R. , Priya Dasan K.
Published: November 2016

The thermal and dielectric properties of municipal solid waste (MSW)/banana fiber composites were investigated as a function of total volume fraction of filler (MSW+ banana fiber). The relative volume fraction of MSW/banana fiber and its chemical modification was also investigated. The total volume fraction (Vf) of filler is established by keeping the relative volume fraction of MSW and banana fiber as 50:50. The thermal conductivity of composites decreases with increase of filler ratio. Subsequently, composites with different volume ratios of MSW and banana fiber (100:0, 75:25, 50:50, 25:75, 0:100) were prepared by keeping total Vf of filler as 50%. Low thermal conductivity and diffusivity values were obtained in composites with an MSW and a banana fiber ratio as 50:50. Moreover, chemically modified filler composites show decrease in dielectric constant, dielectric loss factor and an increment in volume resistivity. Experimental dielectric constant values are correlated with theoretical models. © 2016 American Institute of Chemical Engineers Environ Prog, 36: 468–475, 2017
Direct application of sodium alginate solution via dripping technique for effective copper removal and recovery from aqueous solution
Authors: Jung Kyung‐Won , Chau Dao Minh , Choi Brian Hyun , Ahn Kyu‐Hong
Published: November 2016

This study introduces the direct application of a sodium alginate solution via a dripping technique to induce effective metal recovery by the formation of crosslinked Cu2+‐alginate capsules. The experimental results demonstrated that the performance of Cu2+ removal was highly dependent on the concentration of alginate, dose ratio of alginate to Cu2+ (Al/Cu ratio), and the solution pH condition as these factors immensely affect the mass transfer of Cu2+ into the crosslinking sites in alginate, structural alternations of Cu2+‐alginate capsule, and electrostatic relationship among Cu2+ and the functional groups present in alginate. The maximum Cu2+ removal efficiency of 93.1 ± 1.3% was achieved using 2.0% alginate solution, an Al/Cu ratio of 10:1, and solution pH of 4.5. Thermal treatment (calcination) for metal recovery indicates that a single‐phase monoclinic CuO crystal was the sole product after a simple calcination process. Therefore, it can be concluded that the newly introduced dripping method is a potent alternative technique to provide an abridged and efficient method for heavy metal removal and recovery. © 2016 American Institute of Chemical Engineers Environ Prog, 36: 489–493, 2017
Evaluation of sources for the sustainability of energy supply in Turkey
Authors: Kuleli Pak Burcu , Albayrak Yildiz Esra , Erensal Yasemin Claire
Published: November 2016

Energy is one of the main factors that must be considered in the discussions of sustainable development. Renewable, clean and cost effective energy sources are preferred but unfortunately no one of the alternative energy sources can meet these demands solely. So, the problem of determining the appropriate energy policy is a multiple criteria decision making problem. In this study, firstly sustainability indicators for energy planning are determined. Then dependencies and feedbacks between indicators and the values of the indicators were investigated and it was seen that Analytic Network Process with benefits, opportunities, costs and risks merits is a suitable method for this complex problem. Both the objective values and group decision of experts were used in the model to cover the quantitative and qualitative judgments. The results indicated that the energy system of Turkey is not sustainable and the sustainable energy scenario of Turkey must increase the share of renewables. This article is an important framework for the sustainable development pathway of Turkey. © 2016 American Institute of Chemical Engineers Environ Prog, 36: 627–637, 2017
Electrocoagulation and ultrasonic removal of humic acid from wastewater
Authors: Asgharian F. , Khosravi‐Nikou M.R. , Anvaripour B. , Danaee I.
Published: November 2016

In the present research, electrocoagulation, ultrasonic, and simultaneous application of both methods were investigated to remove humic acid (HA) from wastewater. For the electrocoagulation method, the effects of five combinations of platinum, graphite, and aluminum electrodes, pH, time, voltage, temperature, and concentration of electrolyte on removal efficiency were evaluated. Results revealed that the combination of Pt (anode)/Al (cathode) at neutral pH, 10 V voltage, 0.02 M concentration of electrolyte support, and temperature of 25°C had the best removal efficiency. Under optimum conditions the maximum removal efficiency of HA at 15 min by Pt/Al and without ultrasonic wave was 96.5%. Finally, it was found when ultrasonic used simultaneously with electrocoagulation, the removal efficiency decreased drastically. © 2016 American Institute of Chemical Engineers Environ Prog, 36: 822–829, 2017
Monoclonal gammopathy of undetermined significance (MGUS) and smoldering myeloma (SMM): a practical guide to management
Authors: Maciocia Nicola , Wechalekar Ashutosh , Yong Kwee
Published: November 2016

Monoclonal gammopathy of undetermined significance and smoldering multiple myeloma are precursor conditions of symptomatic multiple myeloma (MM). Diagnostic principles are aimed at excluding MM requiring therapy, other conditions associated with paraproteins that may require different management, and risk stratifying patients for the purposes of tailored follow‐up and investigation. The International Myeloma Working Group have recently published a revised definition of MM, which singles out a small group of patients with smoldering multiple myeloma who are at very high risk of progression and organ damage; such patients are now included under the definition of MM and recommended to start anti‐myeloma treatment. Furthermore, the recently published National Institute of Health and Care Excellence guideline recommends cross‐sectional imaging techniques in place of skeletal survey. These recent recommendations are discussed, and practical guidance for investigation and management are presented.
Efficient Construction of the Nucleus of Rosuvastatin Calcium
Authors: Zhou Yingtao , Lin Chenhui , Xing Yuzhi , Chen Ligong , Yan Xilong
Published: November 2016

A novel and efficient five‐step synthetic route, including a Biginelli reaction, dehydrogenation, chlorination, sulfonamidation, and reduction, for the core of Rosuvastatin was established. All steps were systematically studied. Tert‐butylhydroperoxide aqueous solution was applied in the dehydrogenation instead of nitric acid.N,N‐dimethylaniline was employed as a catalyst to accelerate the chlorination proceeding smoothly, and its catalytic mechanism is discussed. In the sulfonamidation, the conversion of compound5was obviously improved by use of NaH and acetonitrile. In addition, two sulfonamidation side products6and7were detected and isolated. Thus, under the optimized reaction conditions, the target product was obtained in 60.4% total yield, much higher than the reported yield (36.4%).
Piloting electronic medical record–based early detection of inpatient deterioration in community hospitals
Authors: Escobar Gabriel J. , Turk Benjamin J. , Ragins Arona , Ha Jason , Hoberman Brian , LeVine Steven M. , Ballesca Manuel A. , Liu Vincent , Kipnis Patricia
Published: November 2016

Patients who deteriorate in the hospital outside the intensive care unit (ICU) have higher mortality and morbidity than those admitted directly to the ICU. As more hospitals deploy comprehensive inpatient electronic medical records (EMRs), attempts to support rapid response teams with automated early detection systems are becoming more frequent. We aimed to describe some of the technical and operational challenges involved in the deployment of an early detection system. This 2‐hospital pilot, set within an integrated healthcare delivery system with 21 hospitals, had 2 objectives. First, it aimed to demonstrate that severity scores and probability estimates could be provided to hospitalists in real time. Second, it aimed to surface issues that would need to be addressed so that deployment of the early warning system could occur in all remaining hospitals. To achieve these objectives, we first established a rationale for the development of an early detection system through the analysis of risk‐adjusted outcomes. We then demonstrated that EMR data could be employed to predict deteriorations. After addressing specific organizational mandates (eg, defining the clinical response to a probability estimate), we instantiated a set of equations into a Java application that transmits scores and probability estimates so that they are visible in a commercially available EMR every 6 hours. The pilot has been successful and deployment to the remaining hospitals has begun.Journal of Hospital Medicine2016;11:S18–S24. © 2016 Society of Hospital Medicine
Early detection of critical illness outside the intensive care unit: Clarifying treatment plans and honoring goals of care using a supportive care team
Authors: Granich Russ , Sutton Zoe , Kim Yan S. , Anderson Megan , Wood Helen , Scharf John E. , Ragins Arona , Escobar Gabriel J.
Published: November 2016

Given the high mortality experienced by patients who deteriorate outside the intensive care unit, issues related to patient preferences around escalation of care are common. However, the literature on early warning systems (EWSs) provides limited information on how respecting patient preferences can be incorporated into clinical workflows. In this report, we describe how we developed workflows for integrating supportive care with an automated EWS in the context of a 2‐hospital pilot. We used the Institute for Healthcare Improvement's Plan‐Do‐Study‐Act approach to achieve consensus with clinicians and administrators. The workflows will serve as the basis for dissemination to an additional 19 hospitals. We were successful in integrating an automated EWS with supportive care. Our workflows take local resource availability into account and have been well received by hospitalists, nurses, and families. Our work demonstrates that one can achieve integration of proactive supportive care into the operation of an EWS. Creation of a palliative care response arm that is complementary to a clinical rescue arm ensures that patient preferences are respected.Journal of Hospital Medicine2016;11:S40–S47. © 2016 Society of Hospital Medicine
Interviewing asylum seekers: A vignette study on the questions asked to assess credibility of claims about origin and persecution
Authors: van Veldhuizen Tanja S. , Horselenberg Robert , Landström Sara , Granhag Pär Anders , van Koppen Peter J.
Published: November 2016

The aim of the current vignette study is to map the style, type, and themes of questions that are asked when assessing the credibility of asylum seekers' claims. Sixty‐five officials from the Swedish Migration Agency (Migrationsverket), were asked to respond to one out of four different vignettes that contained fictitious asylum narratives. Each vignette presented the types of problems often encountered by officials at the migration board. Two of the vignettes contained no evidence of the origin of the asylum seeker. The other two contained no evidence for the claim of persecution. The asylum officials were asked to formulate five questions that would help them to assess the veracity of the applicant's claim. Our analyses showed that they mainly formulated open questions in an information gathering style. A thematic analysis of the questions revealed that when a claim about origin was assessed, asylum officials mostly asked questions about life in the country of origin, identity documents, and the flight to Europe. When the claim about persecution was assessed, in contrast, asylum officials mostly formulated case‐specific questions (e.g., how the applicant was arrested). Hence, when the credibility of claims about origin is assessed, there seems to be a typical set of questions that asylum officials use. The asylum officials seem to assume that if the applicant is truly originating from a specific country or area, he or she should have ample knowledge about that area, its customs, and frequently encountered objects.
Optimization of alcohol‐assisted dispersive liquid–liquid microextraction by experimental design for the rapid determination of fluoxetine in biological samples
Authors: Hamedi Raheleh , Hadjmohammadi Mohammad Reza
Published: November 2016

A sensitive and rapid method based on alcohol‐assisted dispersive liquid–liquid microextraction followed by high‐performance liquid chromatography for the determination of fluoxetine in human plasma and urine samples was developed. The effects of six parameters on the extraction recovery were investigated and optimized utilizing Plackett–Burman design and Box–Benken design, respectively. According to the Plackett–Burman design results, the volume of disperser solvent, extraction time, and stirring speed had no effect on the recovery of fluoxetine. The optimized conditions included a mixture of 172 μL of 1‐octanol as extraction solvent and 400 μL of methanol as disperser solvent, pH of 11.3 and 0% w/v of salt in the sample solution. Replicating the experiment in optimized condition for five times, gave the average extraction recoveries equal to 90.15%. The detection limit of fluoxetine in human plasma was obtained 3 ng/mL, and the linearity was in the range of 10–1200 ng/mL. The corresponding values for human urine were 4.2 ng/mL with the linearity range from 10 to 2000 ng/mL. Relative standard deviations for intra and inter day extraction of fluoxetine were less than 7% in five measurements. The developed method was successfully applied for the determination of fluoxetine in human plasma and urine samples.
Application of tandem dispersive liquid–liquid microextraction for the determination of doxepin, citalopram, and fluvoxamine in complicated samples
Authors: Fahimirad Bahareh , Asghari Alireza , Bazregar Mohammad , Rajabi Maryam , Fahimi Ebrahim
Published: November 2016

A new type of dispersive liquid–liquid microextraction is used for the determination of doxepin, citalopram, and fluvoxamine in aqueous matrices. This method is based upon the tandem utilization of dispersive liquid–liquid microextraction, and by providing a high sample clean‐up, it efficiently improves the applicability of the method in complicated matrices. For this purpose, in the first step, the analytes contained in an aqueous sample solution (8.0 mL) were extracted into an organic solvent, and then these analytes were simply back‐extracted into an aqueous acceptor phase (50 μL). The overall extraction time was 7 min, and very simple tools were required for this aim. Optimization of the variables affecting the method such as the type and volume of the organic solvent used and effect of ionic strength was carried out to achieve the best extraction efficiency. Under the optimized experimental conditions, tandem dispersive liquid–liquid microextraction with high‐performance liquid chromatography and UV detection showed a good linearity in the range of 10–5000 ng/mL. The limits of detection were in the range of 3–10 ng/mL. The Intra‐day precisions (relative standard deviation) were 9.2, 4.5, and 4.8, and the recoveries were 58.5, 52.9, and 39.3% for citalopram, doxepin, and fluvoxamine, respectively.
Determination of dasatinib in the tablet dosage form by ultra high performance liquid chromatography, capillary zone electrophoresis, and sequential injection analysis
Authors: Gonzalez Aroa Garcia , Taraba Lukáš , Hraníček Jakub , Kozlík Petr , Coufal Pavel
Published: November 2016

Dasatinib is a novel oral prescription drug proposed for treating adult patients with chronic myeloid leukemia. Three analytical methods, namely ultra high performance liquid chromatography, capillary zone electrophoresis, and sequential injection analysis, were developed, validated, and compared for determination of the drug in the tablet dosage form. The total analysis time of optimized ultra high performance liquid chromatography and capillary zone electrophoresis methods was 2.0 and 2.2 min, respectively. Direct ultraviolet detection with detection wavelength of 322 nm was employed in both cases. The optimized sequential injection analysis method was based on spectrophotometric detection of dasatinib after a simple colorimetric reaction with folin ciocalteau reagent forming a blue‐colored complex with an absorbance maximum at 745 nm. The total analysis time was 2.5 min. The ultra high performance liquid chromatography method provided the lowest detection and quantitation limits and the most precise and accurate results. All three newly developed methods were demonstrated to be specific, linear, sensitive, precise, and accurate, providing results satisfactorily meeting the requirements of the pharmaceutical industry, and can be employed for the routine determination of the active pharmaceutical ingredient in the tablet dosage form.
Rotating periodic solutions for second‐order dynamical systems with singularities of repulsive type
Authors: Chang Xiaojun , Li Yong
Published: November 2016

In this paper, we study the following second‐order dynamical system:

urn:x-wiley:mma:media:mma4223:mma4223-math-0001
where c⩾0 is a constant,
and
. When g admits a singularity at zero of repulsive type without the restriction of strong force condition, we apply the coincidence degree theory to prove that the system admits nonplanar collisionless rotating periodic solutions taking the form u(t + T) = Qu(t),
with T > 0 and Q an orthogonal matrix under the assumption of Landesman–Lazer type. Copyright © 2016 John Wiley & Sons, Ltd.
Quantification of oxygen metabolic rates in Human brain with dynamic 17O MRI: Profile likelihood analysis
Authors: Kurzhunov Dmitry , Borowiak Robert , Hass Helge , Wagner Philipp , Krafft Axel Joachim , Timmer Jens , Bock Michael
Published: November 2016

Purpose

Parameter identifiability and confidence intervals were determined using a profile likelihood (PL) analysis method in a quantification model of the cerebral metabolic rate of oxygen consumption (CMRO2) with direct 17O MRI.

Methods

Three‐dimensional dynamic 17O MRI datasets of the human brain were acquired after inhalation of 17O2 gas with the help of a rebreathing system, and CMRO2 was quantified with a pharmacokinetic model. To analyze the influence of the different model parameters on the identifiability of CMRO2, PLs were calculated for different settings of the model parameters. In particular, the 17O enrichment fraction of the inhaled 17O2 gas,
, was investigated assuming a constant and a linearly varying model. Identifiability was analyzed for white and gray matter, and the dependency on different priors was studied.

Results

Prior knowledge about only one
‐related parameter was sufficient to resolve the CMRO2 nonidentifiability, and CMRO2 rates (0.72–0.99 µmol/gtissue/min in white matter, 1.02–1.78 µmol/gtissue/min in gray matter) are in a good agreement with the results of 15O positron emission tomography studies. Nonconstant
values significantly improved model fitting.

Conclusion

The profile likelihood analysis shows that CMRO2 can be measured reliably in 17O gas MRI experiment if the 17O enrichment fraction is used as prior information for the model calculations. Magn Reson Med 78:1157–1167, 2017. © 2016 International Society for Magnetic Resonance in Medicine.
Solvenshaut – äußere und innere Oberflächen von Flüssigkeiten
Authors: Langhals Heinz
Published: November 2016

Gelöste Moleküle sind Punktstörungen der Flüssigkeitsstruktur. Wie weit sich solche Störungen in das Innere der Flüssigkeit fortsetzen, lässt sich durch solvatochrome Sonden mit kompensierenden Dipolmomenten untersuchen.
Molekulare Maschinen
Authors: Herges Rainer
Published: November 2016

Der Nobelpreis für Chemie geht in diesem Jahr an Bernard L. Feringa, Jean‐Pierre Sauvage und James Fraser Stoddart. Sie haben die Grundlagen für die Konstruktion molekularer Maschinen gelegt und die ersten Prototypen synthetisiert.
Two‐grid variational multiscale algorithms for the stationary incompressible Navier‐Stokes equations with friction boundary conditions
Authors: Qiu Hailong , Mei Liquan , Zhang Yongchao
Published: November 2016

Two‐grid variational multiscale (VMS) algorithms for the incompressible Navier‐Stokes equations with friction boundary conditions are presented in this article. First, one‐grid VMS algorithm is used to solve this problem and some error estimates are derived. Then, two‐grid VMS algorithms are proposed and analyzed. The algorithms consist of nonlinear problem on coarse grid and linearized problem (Stokes problem or Oseen problem) on fine grid. Moreover, the stability and convergence of the present algorithms are established. Finally, Numerical results are shown to confirm the theoretical analysis. © 2016 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 546–569, 2017
Depression, its comorbidities and treatment, and childhood body mass index trajectories
Authors: Schwartz Brian S. , Glass Thomas A. , Pollak Jonathan , Hirsch Annemarie G. , Bailey‐Davis Lisa , Moran Timothy H. , Bandeen‐Roche Karen
Published: November 2016

Objective

No prior studies have evaluated depression diagnoses and cumulative antidepressant use in relation to longitudinal body mass index (BMI) trajectories in a population‐representative sample.

Methods

Electronic health record data from 105,163 children ages 8 to 18 years with 314,648 BMI values were used. Depression diagnoses were evaluated as ever versus never, cumulative number of encounters with diagnoses, and total duration of diagnoses. Antidepressants were evaluated as months of use. Associations were evaluated with diagnoses alone, antidepressants alone, and then together, adjusting for covariates.

Results

A total of 6,172 (5.9%) and 10,628 (10.1%) children had a diagnosis of depression or received antidepressant treatment, respectively. At all ages, children receiving Medical Assistance (30.9%) were more likely to be treated with antidepressants. Depression diagnosis and antidepressant use were each independently and positively associated with BMI trajectories; associations were stronger with longer durations of diagnosis and treatment. Among children who received 12 or more months of antidepressants (vs. none), the mean (95% CI) weight gain at 18 years associated with antidepressant use (all classes) was 2.10 (1.76–2.45) kg.

Conclusions

Depression and antidepressant use were both independently associated with increasing BMIs over time, suggesting an important unintended consequence of healthcare to the obesity epidemic.
Residential proximity to major roadways, fine particulate matter, and adiposity: The framingham heart study
Authors: Li Wenyuan , Dorans Kirsten S. , Wilker Elissa H. , Rice Mary B. , Schwartz Joel , Coull Brent A. , Koutrakis Petros , Gold Diane R. , Fox Caroline S. , Mittleman Murray A.
Published: November 2016

Objective

Higher traffic‐related air pollution has been associated with higher body mass index (BMI) among children. However, few studies have assessed the associations among adults.

Methods

Participants (N = 2,372) from the Framingham Offspring and Third Generation cohorts who underwent multidetector‐computed tomography scans (2002–2005) were included. Residential‐based proximity to the nearest major roadway and 1‐year average levels of fine particulate matter (PM2.5) air pollution were estimated. BMI was measured at Offspring examination 7 (1998–2001) and Third Generation examination 1 (2002–2005); subcutaneous adipose tissue (SAT) and visceral adipose tissue (VAT) were measured using multidetector‐computed tomography. Linear regression models were used for continuous BMI, SAT, and VAT and logistic models for the binary indicator of obesity (BMI ≥30 kg/m2), adjusting for demographic variables, individual‐ and area‐level measures of socioeconomic position, and clinical and lifestyle factors.

Results

Participants who lived 60 m from a major roadway had 0.37 kg/m2 higher BMI (95% CI: 0.10 to 0.65 kg/m2), 78.4 cm3 higher SAT (95% CI: 4.5 to 152.3 cm3), and 41.8 cm3 higher VAT (95% CI: −4.7 to 88.2 cm3) than those who lived 440 m away.

Conclusions

Living closer to a major roadway was associated with higher overall and abdominal adiposity.
Baseline gray‐ and white‐matter volume predict successful weight loss in the elderly
Authors: Mokhtari Fatemeh , Paolini Brielle M. , Burdette Jonathan H. , Marsh Anthony P. , Rejeski W. Jack , Laurienti Paul J.
Published: November 2016

Objective

The purpose of this study was to investigate whether structural brain phenotypes could be used to predict weight loss success following behavioral interventions in older adults with overweight or obesity and cardiometabolic dysfunction.

Methods

A support vector machine with a repeated random subsampling validation approach was used to classify participants into the upper and lower halves of the weight loss distribution following 18 months of a weight loss intervention. Predictions were based on baseline brain gray matter and white matter volume from 52 individuals who completed the intervention and a magnetic resonance imaging session.

Results

The support vector machine resulted in an average classification accuracy of 72.62% based on gray matter and white matter volume. A receiver operating characteristic analysis indicated that classification performance was robust based on an area under the curve of 0.82.

Conclusions

Findings suggest that baseline brain structure was able to predict weight loss success following 18 months of treatment. The identification of brain structure as a predictor of successful weight loss was an innovative approach to identifying phenotypes for responsiveness to intensive lifestyle interventions. This phenotype could prove useful in future research focusing on the tailoring of treatment for weight loss.
Cardiac‐specific down‐regulation of carnitine palmitoyltransferase‐1b (CPT‐1b) prevents cardiac remodeling in obese mice
Authors: Zhang Yijie , Fang Xianlong , Dai Mingyan , Cao Quan , Tan Tuantuan , He Wenbo , Huang Yan , Chu Liang , Bao Mingwei
Published: November 2016

Objective

To determine whether inhibiting cardiac carnitine palmitoyltransferase‐1b (CPT‐1b) improves obesity‐related cardiomyopathy.

Methods

Four‐week‐old male C57BL/6J mice were fed with high‐fat diet (HFD) for 12 weeks to induce obesity. At 6 weeks of age, mice were subjected to intramyocardial injection with lentivirus to down‐regulate the expression of either cardiac CPT‐1b or green fluorescent protein. Morphological, biochemical, functional, histological, and ultrastructural profiles were assessed at 16 weeks of age.

Results

HFD administration elicited obesity, cardiac hypertrophy, and systolic dysfunction accompanied with altered biochemical parameters. In addition, HFD consumption promoted lipid accumulation and reactive oxygen species generation in cardiomyocytes and damaged myocardial ultrastructure. Cardiac CPT‐1b silencing protected against HFD‐induced cardiac remodeling by decreasing heart weight/tibial length ratio and increasing left ventricular ejection fraction and fractional shortening, as well as normalizing left ventricular diameter. Meanwhile, CPT‐1b inhibition mitigated the changes in biochemical parameters, aggravated myocardial lipid accumulation, reduced intramyocardial reactive oxygen species production, and partly amended myocardial ultrastructural alterations in obese mice.

Conclusions

Cardiac CPT‐1b suppression protects against the aggravation of cardiac morphology and function associated with HFD feeding. CPT‐1b represents a potential therapeutic target for the treatment of cardiac dysfunction related to metabolic diseases such as obesity and diabetes.