bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lithium Bond Chemistry in Lithium–Sulfur Batteries
Authors: Hou Ting‐Zheng , Xu Wen‐Tao , Chen Xiang , Peng Hong‐Jie , Huang Jia‐Qi , Zhang Qiang 
Published: May 2017

AbstractThe lithium–sulfur (Li–S) battery is a promising high‐energy‐density storage system. The strong anchoring of intermediates is widely accepted to retard the shuttle of polysulfides in a working battery. However, the understanding of the intrinsic chemistry is still deficient. Inspired by the concept of hydrogen bond, herein we focus on the Li bond chemistry in Li–S batteries through sophisticated quantum chemical calculations, in combination with 7Li nuclear magnetic resonance (NMR) spectroscopy. Identified as Li bond, the strong dipole–dipole interaction between Li polysulfides and Li–S cathode materials originates from the electron‐rich donors (e.g., pyridinic nitrogen (pN)), and is enhanced by the inductive and conjugative effect of scaffold materials with π‐electrons (e.g., graphene). The chemical shift of Li polysulfides in 7Li NMR spectroscopy, being both theoretically predicted and experimentally verified, is suggested to serve as a quantitative descriptor of Li bond strength. These theoretical insights were further proved by actual electrochemical tests. This work highlights the importance of Li bond chemistry in Li–S cell and provides a deep comprehension, which is helpful to the cathode materials rational design and practical applications of Li–S batteries.
High‐Pressure NiAs‐Type Modification of FeN
Authors: Clark William P. , Steinberg Simon , Dronskowski Richard , McCammon Catherine , Kupenko Ilya , Bykov Maxim , Dubrovinsky Leonid , Akselrud Lev G. , Schwarz Ulrich , Niewa Rainer 
Published: May 2017

AbstractThe combination of laser‐heated diamond anvil cells and synchrotron Mössbauer source spectroscopy were used to investigate high‐temperature high‐pressure chemical reactions of iron and iron nitride Fe2N with nitrogen. At pressures between 10 and 45 GPa, significant magnetic hyperfine splitting indicated compound formation after annealing at 1300 K. Subsequent in situ X‐ray diffraction reveals a new modification of FeN with NiAs‐type crystal structure, as also rationalized by first‐principles total‐energy and chemical‐bonding studies.
Meta-analysis of adjuvant therapy following curative surgery for periampullary adenocarcinoma
Authors: Acharya A , Markar S R , Sodergren M H , Malietzis G , Darzi A , Athanasiou T , Khan A Z 
Published: May 2017

Abstract

Background
Periampullary cancers are uncommon malignancies, often amenable to surgery. Several studies have suggested a role for adjuvant chemotherapy and chemoradiotherapy in improving survival of patients with periampullary cancers, with variable results. The aim of this meta-analysis was to determine the survival benefit of adjuvant therapy for periampullary cancers.

Methods
A systematic review was undertaken of literature published between 1 January 2000 and 31 December 2015 to elicit and analyse the pooled overall survival associated with the use of either adjuvant chemotherapy or chemoradiotherapy versus observation in the treatment of surgically resected periampullary cancer. Included articles were also screened for information regarding stage, prognostic factors and toxicity-related events.

Results
A total of 704 titles were screened, of which 93 full-text articles were retrieved. Fourteen full-text articles were included in the study, six of which were RCTs. A total of 1671 patients (904 in the control group and 767 who received adjuvant therapy) were included. The median 5-year overall survival rate was 37·5 per cent in the control group, compared with 40·0 per cent in the adjuvant group (hazard ratio 1·08, 95 per cent c.i. 0·91 to 1·28; P = 0·067). In 32·2 per cent of patients who had adjuvant therapy, one or more WHO grade 3 or 4 toxicity-related events were noted. Advanced T category was associated worse survival (regression coefficient −0·14, P = 0·040), whereas nodal status and grade of differentiation were not.

Conclusion
This systematic review found no associated survival benefit for adjuvant chemotherapy or chemoradiotherapy in the treatment of periampullary cancer.
Setting Strategies outside a Typical Environmental Perspective Using ISO 14001 Certification
Authors: Chiarini Andrea 
Published: May 2017

AbstractThe scope of this research is to evaluate whether ISO 14001 certification could be used as a strategic vehicle for achieving objectives that are not strictly linked to a technical and operative perspective, and to determine what these objectives are. In order to find these objectives, a review of the literature was first conducted to determine what they were and seven hypotheses emerged. The hypotheses concerned the possibility of using ISO 14001 as a strategy for achieving objectives related to finance and turnover, customer satisfaction, community satisfaction, employee satisfaction, health and safety in the workplace, and growth and skills of employees. The validity of each hypothesis was tested via a survey of 164 managers of European manufacturing companies. This research produced interesting findings, some of which contradicted the findings of other research, in particular for financial and turnover objectives. In addition, the research revealed interesting relationships between employees' skills and issues such as Design for the Environment and Sustainability. Furthermore, some limitations of ISO 14001 with respect to the Eco‐Management and Audit Scheme regulation emerged. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Computer programming with Python for industrial and systems engineers: Perspectives from an instructor and students
Authors: Wang Yong , Hill Kasey J. , Foley Erin C. 
Published: May 2017

AbstractThis paper examines recent efforts at Binghamton University to teach the computer programming language Python to Industrial and Systems Engineering (ISE) undergraduates who possess little prior programming experience. The rationale behind selecting Python to teach is discussed. An evaluation of students’ learning outcomes shows that performance is distinguishable by gender, class standing, and class attendance. Lessons learned from the instructor's and the students’ perspectives are presented.
Bubble Plume Oscillations in Viscous Fluids
Authors: Laupsien David , Cockx Arnaud , Line Alain 
Published: May 2017

AbstractThe mixing potential of bubble column reactors for viscous fluids was investigated experimentally. A heterogeneously aerated pseudo‐2D column was used to study hydrodynamics and especially low‐frequency oscillation. Different metrological methods, such as particle image velocity, shadowgraphy, and pressure and oxygen sensors, were applied. Water and fluids with lower surface tension and higher viscosity but still showing Newtonian rheological behavior were used. A viscosity range of 1–100 mPa s was chosen to mimic bioreactor fluids. Two different spargers were employed to produce different bubble sizes and shapes. Injection flow rate was modified to create a wide spectrum of injection conditions. Different oscillating behaviors were found depending on the sparger and the fluid properties.
Detection of Copper Bisguanidine NO Adducts by UV‐vis Spectroscopy and a SuperFocus Mixer
Authors: Oppermann Alexander , Laurini Larissa , Etscheidt Fabian , Hollmann Katharina , Strassl Florian , Hoffmann Alexander , Schurr Daniela , Dittmeyer Roland , Rinke Günter , Herres-Pawlis Sonja 
Published: May 2017

AbstractThe reaction of Cu(I) bisguanidine complexes with nitric oxide and the formation of intermediate species were monitored via UV‐vis spectroscopy at low temperature, with the occurrence of characteristic absorption bands. The origin of the emerging species and their character were substantiated by electron paramagnetic resonance (EPR) measurements and density functional theory (DFT) studies showing a delocalized {CuNO}11 radical species. Furthermore, this system was transferred to the SuperFocus mixer setup, which allows rapid mixing and the determination of decay constants at ambient temperatures of the thermally sensitive species. However, these experiments demonstrated the limits of these systems, such as the NO saturation in organic solvents and a preferably precise temperature control within the SuperFocus mixer, which should be addressed in the future.
Total Synthesis of O‐GalNAcylated Antifreeze Glycoprotein using the Switchable Reactivity of Peptidyl‐N‐pivaloylguanidine
Authors: Orii Ryo , Sakamoto Noriko , Fukami Daichi , Tsuda Sakae , Izumi Masayuki , Kajihara Yasuhiro , Okamoto Ryo 
Published: May 2017

AbstractAntifreeze glycoprotein (AFGP) is an O‐glycoprotein that displays antifreeze activity through depression of the freezing point of water. GalNAc is a core sugar structure of AFGP, and contributes to induce antifreeze activity of this glycoprotein. However, the general functional role that this sugar plays at the molecular level is still unknown. To elucidate this, it is essential to determine the relationship between structure and activity of O‐GalNAcylated AFGP using homogeneous glycoproteins. Thus, the total synthesis of homogeneous O‐GalNAcylated AFGP was conducted by using a unique peptide derivative: peptidyl‐N‐pivaloylguanidine. It was found that peptidyl‐N‐pivaloylguanidine is an “unreactive” peptide in peptide coupling reactions but is interconvertible with a “reactive” peptide‐α‐thioester by means of a simple treatment under buffer condition at pH=7 to 8. The unique switchable reactivity of peptidyl‐N‐pivaloylguanidine enabled an efficient sequential peptide coupling strategy. By using this strategy, various lengths of homogeneous O‐GalNAcylated AFGP were synthesized, including one that was 120 amino acids in length, with 40 O‐GalNAcylation sites. The structural analysis by circular dichroism spectroscopy and evaluation of the antifreeze activity of the synthetic AFGP(GalNAc)s revealed that the simple O‐glycosylation with GalNAc is essential for both structural and functional basis of AFGP to exhibit antifreeze activity.
Efficient recursive kernel canonical variate analysis for monitoring nonlinear time‐varying processes
Authors: Shang Liangliang , Liu Jianchang , Zhang Yingwei 
Published: May 2017

AbstractKernel canonical variate analysis (KCVA) cannot be adopted for monitoring nonlinear time‐varying processes because of changes in variance, mean, and correlation between variables. Efficient recursive kernel canonical variate analysis (ERKCVA) is thus proposed to monitor the nonlinear time‐varying processes. In a high‐dimensional feature space, the covariance matrix can be updated recursively by the exponentially weighted moving average approach. The first‐order perturbation theory is introduced to obtain the recursive singular value decomposition of the Hankel matrix, which can significantly reduce the computational cost of the proposed method. Prediction errors and state variables are non‐Gaussian; thus, upper control limits can be derived from the estimated probability density function by kernel density estimation. The proposed method is demonstrated by simulating a continuous stirred tank reactor. Simulation results indicate that ERKCVA could efficiently capture the predefined normal and natural changes in nonlinear time‐varying processes. In addition, ERKCVA can also identify 4 types of sensor faults.
The effect of initial molecular profile on response to recombinant interferon‐α (rIFNα) treatment in early myelofibrosis
Authors: Silver Richard T. , Barel Ariella C. , Lascu Elena , Ritchie Ellen K. , Roboz Gail J. , Christos Paul J. , Orazi Attilio , Hassane Duane C. , Tam Wayne , Cross Nicholas C. P. 
Published: May 2017

BACKGROUNDAlthough recombinant interferon‐α (rIFNα) effectively treats patients with early myelofibrosis, the effect of driver and high molecular risk (HMR) mutations has not been considered. In this phase 2 study, for the first time, the authors correlate response to rIFNα treatment with driver and HMR mutations.METHODSPatients were diagnosed using World Health Organization or International Working Group for Myeloproliferative Neoplasms Research and Treatment criteria. Only patients who had low or intermediate‐1 Dynamic International Prognostic Scoring System scores with ≥15% hematopoietic bone marrow foci were included. History, symptom assessment, physical examination, and blood and bone marrow studies were performed. Genomic DNA was extracted from frozen cells, and next‐generation targeted sequencing of 45 genes was performed. Either rIFNα‐2b (0.5 million units subcutaneously 3 times weekly) or pegylated rIFNα‐2a (45 μg weekly) with escalation was initiated. All patients were followed at the authors' institution, and regular bone marrow biopsies were encouraged. International Working Group for Myeloproliferative Neoplasms Research and Treatment and European LeukemiaNet treatment response criteria were used.RESULTSOf 30 patients (16 women and 14 men; median age, 58 years), 22 were classified as low risk, and 8 were classified as intermediate‐1 risk. Two patients achieved complete remission, 9 achieved partial remission, 4 had clinical improvement, 7 had stable disease; 3 had progressive disease, 1 relapsed, and 4 died. There were 22 patients with JAK mutations, 6 with CALR mutations, and 2 with MPL mutations. Seventy‐three percent of patients improved or remained stable with acceptable toxicity, including 37% who achieved complete or partial remission. There was no correlation between treatment response and baseline driver mutations or Dynamic International Prognostic Scoring System scores. Of 8 poor responders, 3 had ASXL1 or SRSF2 mutations.CONCLUSIONSEarly treatment with rIFNα in patients without HMR mutations may prevent the development of marked splenomegaly, anemia, and florid myelofibrosis. Molecular profiling at the time of diagnosis may predict prognosis and treatment response. Cancer 2017;123:2680‐87. © 2017 American Cancer Society.
Layered Tb‐Doped Yttrium Carboxyphosphonate Nanocrystals as Efficient Filler for PEDOT:PSS Composite Films
Authors: Posati Tamara , Nocchetti Morena , Vivani Riccardo , Pistola Michela , Bolognesi Margherita , Seri Mirko , Costantino Ferdinando 
Published: May 2017

AbstractA layered yttrium phosphonate based on N‐(phosphonomethyl)glycine (H3L) and of formula Y(PO3CH2NHCH2COOH)(HPO3CH2NHCH2COOH) was synthesized in mild hydrothermal conditions. Its crystal structure was first determined by single‐crystal X‐ray diffraction. Then, the synthetic parameters were changed in order to reduce the particle size of the compound. The use of microwave (MW) irradiation during the synthesis allowed a) to obtain the compound in form of nanoparticles (NP) in the 50–300 nm range dispersed in water, b) to strongly reduce the reaction time by a factor 150, and c) to successfully introduce into the structure small amounts of a luminescent ion like terbium(III) as an isomorphic substituent of yttrium(III). The obtained NP were used to prepare composite materials by dispersing them in poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS). The resulting optical, photophysical, morphological and electrical properties of modified and pristine PEDOT:PSS films were investigated and compared, in order to test the potential use of Y(H2L)(HL) NP as luminescent downshifting materials in optoelectronic devices.
The Absence of Quadrupolar Nuclei Facilitates Efficient 13C Hyperpolarization via Reversible Exchange with Parahydrogen
Authors: Barskiy Danila A. , Shchepin Roman V. , Tanner Christian P. N. , Colell Johannes F. P. , Goodson Boyd M. , Theis Thomas , Warren Warren S. , Chekmenev Eduard Y. 
Published: May 2017

AbstractNuclear spin hyperpolarization techniques are revolutionizing the field of 13C molecular MRI. While dissolution dynamic nuclear polarization (d‐DNP) is currently the leading technique, it is generally slow (requiring ≈1 h) and costly (≈$USD106). As a consequence of carbon's central place in biochemistry, tremendous progress using 13C d‐DNP bioimaging has been demonstrated to date including a number of clinical trials. Despite numerous attempts to develop alternatives to d‐DNP, the competing methods have faced significant translational challenges. Efficient hyperpolarization of 15N, 31P, and other heteronuclei using signal amplification by reversible exchange (SABRE) has been reported in 2015, but extension of this technique to 13C has proven to be challenging. Here, we present efficient hyperpolarization of 13C nuclei using micro‐Tesla SABRE. Up to ca. 6700‐fold enhancement of nuclear spin polarization at 8.45 T is achieved within seconds, corresponding to P13C ≈4.4 % using 50 % parahydrogen (P13C >14 % would be feasible using more potent ≈100 % parahydrogen). Importantly, the 13C polarization achieved via SABRE strongly depends not only upon spin–lattice relaxation, but also upon the presence of 15N (I=1/2) versus quadrupolar 14N (I=1) spins in the site binding the hexacoordinate Ir atom of the catalytic complex. We show that different 13C nuclei in the test molecular frameworks—pyridine and acetonitrile—can be hyperpolarized, including 13C sites up to five chemical bonds away from the exchangeable hydrides. The presented approach is highly scalable and can be applied to a rapidly growing number of biomolecules amendable to micro‐Tesla SABRE.
Clinical profiles and prognosis of acute heart failure in adult patients with dystrophinopathies on home mechanical ventilation
Authors: Fayssoil Abdallah , Yaou Rabah Ben , Ogna Adam , Leturcq France , Nardi Olivier , Clair Bernard , Wahbi Karim , Lofaso Frederic , Laforet Pascal , Duboc Denis , Orlikowski David , Annane Djillali 
Published: May 2017

AbstractAimsDuchenne muscular dystrophy (DMD) is characterized by respiratory and heart involvements. In the context of permanently wheelchair bound and on mechanical ventilation (MV) patients, the clinical presentation of acute heart failure (AHF) syndrome may be atypical. We sought to describe clinical and genetic profiles and to determine prognosis of DMD and Becker muscular dystrophy (BMD) patients on home MV (HMV), hospitalized for AHF.Methods and resultsWe included genetically proven DMD and BMD patients on HMV admitted for AHF. A total of 13 patients (11 DMD and 2 BMD) fulfilled the inclusion criteria. Median age was 34.0 [interquartile range (IQR) 26.0; 40.0] years. Median pulmonary vital capacity was 9.0% (6.0; 15.0) of predicted value. Long‐term invasive ventilation was performed in 69% of patients. All the 11 DMD patients carried out‐of‐frame DMD gene mutations. At admission, dyspnoea was present in 46%, lipothymia in 23%, and abdominal discomfort in 38.4% of patients. A total of 53.8% of patients showed anasarca. Cardiogenic shock presentation was found in six patients (46%). Ejection fraction was severely altered [median 25% (IQR 20; 30)]. Intra‐hospital mortality rate was 30%, reaching 53.8 % after 1 year. Previous episodes of AHF ≥ 2 were associated with intra‐hospital mortality (P = 0.025). In patients with cardiogenic shock, intra‐hospital mortality rate was 66.6%, reaching 83.3% after 1 year.ConclusionsIn adult DMD and BMD patients with severe ejection fraction alteration and on HMV, admitted for AHF, right cardiac signs are frequent. The intra‐hospital and 1 year mortality rate was high and was associated with previous episodes of AHF ≥ 2.
Synthesis and thermal study of polymers from soybean, sunflower, and grape seed maleinated oil
Authors: Alarcon Rafael Turra , Vinícius de Almeida Marcos , Rinaldo Daniel , Bannach Gilbert 
Published: May 2017

This paper presents the synthesis of some polymers from maleinated vegetable oils (soybean, sunflower, and grape seed) and glycerol. First, all the vegetable oils were previously maleinated with maleic anhydride, then, the maleinated oils were esterified with glycerol to obtain the polymers; the synthetic route is simple and not use organic solvents, the results indicate that the synthesis was effortless and use inexpensive reagents, such as vegetable oils, maleic anhydride, and glycerol. These polymers could be applied in the area of adhesives and waterproofing materials. The results obtained by TGA‐DTA and DSC data showed that these polymers had different thermal behaviors, which is related to the different quantity of unsaturated fatty acids in each oil structure. Finally, the FTIR and 1H‐NMR analysis help to clarify the polymers structure and the reaction sites: hence, it was possible to propose a reaction mechanism and the structure.Practical applications: The polymer synthesis of each vegetable oil was similar in time and process; however, the final product presented different physical characteristics. The results obtained by TGA‐DTA and DSC data showed that these polymers had different thermal behaviors, which is related by different quantity of unsaturated fatty acids in each oil structure. Finally, the FTIR and 1H‐NMR analysis help to clarify the polymers structure and the reaction sites: hence, it was possible propose a reaction mechanism and the structure. The results indicate that the synthesis was effortless and use inexpensive reagents, such as vegetable oils, maleic anhydride, and glycerol. These polymers could be applied in the area of ​​adhesives and waterproofing materials.In this work synthesis of polymers from maleinated oils (soybean, sunflower, and grape‐seed) is shown. Possible structure is made by FTIR and 1H‐NMR analysis as well as its thermal characterization by TGA‐DTA and DSC.
Friend or foe? Evidence that anxious people are better at distinguishing targets from non‐targets
Authors: Ein‐Dor Tsachi , Perry‐Paldi Adi , Hirschberger Gilad 
Published: May 2017

AbstractArmed conflict necessitates the ability to quickly distinguish friend from foe. Failure to make accurate shooting decisions may result in harm either to oneself or to innocent others. The factors that predict such rapid decision making, however, remain unclear. Based on social defense theory, we contend that people high on attachment anxiety possess characteristics that are particularly advantageous in this domain such that anxiously attached individuals will show greater vigilance and accuracy in a realistic shooting paradigm in which they must quickly distinguish between militants (people holding a gun) and innocents (people holding an item with the same color and shape as a gun—Coca‐Cola bottle, black wallet, and black mobile phone). Using signal detection theory algorithms, we calculated sensitivity in performing the behavioral shooting task [D(prime)]. Results indicate that as expected, anxious people demonstrated significantly better shooting accuracy. Implication for contemporary violent conflict is discussed.
Self‐Stacked, Small‐Sized MoS2 Nanosheets for High‐Performance Lithium‐Ion Batteries
Authors: Liu Hong , Yi Min , Liu Lei , Shen Zhigang , Liang Shuaishuai , Zhang Xiaojing , Ma Shulin 
Published: May 2017

AbstractA liquid exfoliation route has allowed the environmentally friendly, scalable, and cost‐effective production of high‐quality 2D MoS2 nanosheets. However, high capacity achieved by the liquid‐exfoliated pristine MoS2 is rarely reported in lithium‐ion batteries. For the first time, it is demonstrated that liquid‐exfoliated small‐sized MoS2 nanosheets exhibit a high reversible capacity of 1133 mA h g−1 after 130 cycles and an excellent rate capability; these values are comparable to the high performances achieved by the available chemical routes.