bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrochemical Water Splitting by Pseudo‐spinel, Disordered and Layered Lithium Nickel Oxides: Correlation between Structural Motifs and Catalytic Properties
Authors: Wu Jian , Wang Guofu , Du Juan , Liu J. Ping , Wang Jianguo , Fan Weibin 
Published: March 2018

AbstractIn this work, three different structures of lithium nickel oxide (LNO) synthesized by simple methods as inexpensive and efficient electrocatalyst for OER were presented. The catalytic activities of LNO catalysts for OER were pseudo‐spinel (PS‐LiNiO2) > disordered (DO‐LiNiO2) > layered (L‐LiNiO2) lithium nickel oxide. Particularly, PS‐LiNiO2 demonstrated much lower tafel slope of 62 mV dec−1 with the highest durability whereas the layered LNO catalysts exhibited the higher tafel slope of 88 mV dec −1, respectively. To elucidate the origin of high activities of LNO catalysts, three structures of LNO were studied by EXAFS measurements and DFT theoretical calculation. Compared to L‐LiNiO2, PS‐LiNiO2, including Ni4O4 cubane structural motifs, exhibited higher valent states and lower Ni d‐band center to drive the catalytic reaction. Thus, our results demonstrated that the activities of LNO can be optimized by controlling the value states, chemical and local electronic structure of Ni via novel design approaches.
One‐Step Synthesis of NiCo2S4/Graphene Composite for Asymmetric Supercapacitors with Superior Performances
Authors: Yang Xue , Niu Hao , Jiang He , Sun Zhiqin , Wang Qian , Qu Fengyu 
Published: March 2018

AbstractTo meet the demand of high‐performance electrode materials for supercapacitors, it is highly desirable to design and develop a new class of electrode materials with superior electrochemical performance. Here, we used a simple hydrothermal method to synthesize NiCo2S4‐anchored graphene nanosheets (NiCo2S4/GNS) for high‐performance supercapacitors. Benefiting from the synergistic effect of graphene and NiCo2S4, the as‐prepared composite exhibits outstanding electrochemical performances, such as high specific capacitance (1063 F g−1 at current density of 2 A g−1) and excellent cycling performance while maintaining 82 % of the initial value after 10000 cycles. Furthermore, an asymmetric supercapacitor (ASC) is fabricated using NiCo2S4/GNS as positive electrode and nitrogen‐doped graphene as negative electrode. The fabricated ASC delivers a remarkable energy density of 54.6 Wh kg−1 at a power density of 350.8 W kg−1. The outstanding performances render such composite a promising candidate for application of high‐energy‐density supercapacitors.
Metal‐ and Reagent‐Free Anodic Dehydrogenative Cross‐Coupling of Naphthylamines with Phenols
Authors: Dahms Benedikt , Franke Robert , Waldvogel Siegfried R. 
Published: March 2018

AbstractThe front cover artwork is provided by the group of Siegfried R. Waldvogel at the Johannes Gutenberg‐Universität Mainz (Germany). The image depicts the electrochemical conversion of a phenolic substrate with a naphthylamine. Read the full text of the Communication at 10.1002/celc.201800050.
Partial least squares discriminant analysis for chemometrics and metabolomics: How scores, loadings, and weights differ according to two common algorithms
Authors: Brereton Richard G. , Lloyd Gavin R. 
Published: March 2018

AbstractTwo common algorithms for partial least squares discriminant analysis developed by Wold (NIPALS) and by Martens are compared. Although their classification performance is identical, their projections into variable space (often called scores) and into object space (loadings and weights) are quite different. Martens' algorithm can be visualised as a rotation in variable space, but Wold's results in quite complex distortions. Most software presents scores plots using the Wold algorithm but fails to appreciate that variable space is distorted, so scores from both algorithms are different. Weights, which can be obtained from both methods, are identical, although loadings (as commonly defined) from the Wold algorithm differ. The paper illustrates the two methods graphically to review the difference between these two methods.
Dative and Electron‐Sharing Bonding in C2F4
Authors: Andrada Diego M. , Casals‐Sainz José Luis , Martín Pendás Ángel , Frenking Gernot 
Published: March 2018

AbstractThe reaction pathway for the rupture of the carbon–carbon double bond of C2F4has been calculated with ab initio methods at the CASSCF(8,8)+NEVPT2/aug‐cc‐pVTZ and CCSD(T)/aug‐cc‐pVTZ levels and with density functional theory using M06‐L and M06‐2X functionals in conjunction with aug‐cc‐pVTZ basis sets. The calculations suggest that the bond dissociation pathway proceeds by a nonlinear reaction course without an activation barrier yielding the CF2fragments in the (1A1) ground state. A bonding analysis indicates that there is a continuous change in the electronic structure of the CF2fragments during the elongation of the C–C distance from a (3B1) excited state at the equilibrium geometry of C2F4to the (1A1) ground state. EDA‐NOCV calculations suggest that the carbon–carbon interactions in C2F4at equilibrium distance and longer C–C values up to ≈1.60 Å are best described in terms of electron‐sharing bonding between the CF2fragments in the (3B1) excited state. At longer distances, the situation changes toward dative bonding between CF2fragments in the (1A1) ground state.
Topology and Electronic Density Driven Generation of Alkali Cation Complexes
Authors: Boufroura Hamza , Poyer Salomé , Gaucher Anne , Huin Cécile , Salpin Jean‐Yves , Clavier Gilles , Prim Damien 
Published: March 2018

AbstractThe formation and characterization of K+ and Cs+ complexes originating from the cooperativity of three non‐covalent interactions is explored. The tridimensional preorganization of the naphthothiophene platform displays a favorable well‐defined bay region combining a π fragment and a carbonyl moiety flanking a central sulfur atom. A joint theoretical and experimental infrared multiple photon dissociation (IRMPD) study allowed deciphering the key contribution of the orthogonal phenyl fragment to the elaboration of alkali metal complexes. In combination with S and CO interactions, the π–cation interaction significantly enhances the binding energies of naphthothiophene derivatives.
Visible Light Activation of Spin‐Silenced Fluorescence
Authors: Eing Matthias , Tuten Bryan T. , Blinco James P. , Barner‐Kowollik Christopher 
Published: March 2018

AbstractA self‐reporting, profluorescent, visible light‐induced release system is introduced. Fluorescence activation is enabled by a mild remote trigger signal that can be monitored with the naked‐eye in real time. The light‐responsive spin‐silenced polymer is synthesized via an Ugi post‐polymerization modification incorporating paramagnetic nitroxides and a light cleavable fluorophore moiety.
Investigation of Bistetramethylammonium Hydrogencyclotriphosphate—A Molecular Rotor?
Authors: Mangstl Martin , Weber Johannes , Jardón‐Álvarez Daniel , Burghaus Olaf , Roling Bernhard , Schmedt auf der Günne Jörn 
Published: March 2018

AbstractThe crystalline phase β‐[N(CH3)4]2HP3O9 undergoes a reversible phase transition to γ‐[N(CH3)4]2HP3O9, which was studied by dynamic scanning calorimetry and X‐ray diffraction. The rotational dynamics of the anion [P3O9]3− were evident from variable temperature 31P magic angle spinning (MAS) NMR spectroscopy. The rotational dynamics could be simulated with a 3‐site jump model, which yields spectra in good agreement with experiment. An activation energy of 0.6 eV could be estimated from line shape analysis. Impedance spectra reflect a bulk proton conductivity of γ‐[N(CH3)4]2HP3O9 of 6.9×10−5 S cm−1 at 240 °C and an activation energy of approximately 1.0 eV. Thus this salt features bulk protonic motion, while local rotational anionic motion happens with activation energies of the same order, as suggested by the paddle‐wheel mechanism.
Gold(I)‐Catalyzed Diastereo‐ and Enantioselective Synthesis of Polysubstituted Pyrrolo[3,4‐d][1,2]oxazines
Authors: Zhang Mei , Di Xiaoyu , Zhang Mingrui , Zhang Junliang 
Published: March 2018

AbstractA gold(I)‐catalyzed highly diastereo‐ and enantioselective intermolecular cycloaddition of oxime ethers with nitrones under mild conditions was developed, which provides an facile access to optically pure highly substituted pyrrolo[3,4‐d][1,2]oxazines. The salient features of this reaction include general substrate scope, high efficiency, high enantioselectivity, readily available starting materials, and the use of commercially available ligand.
The impact of right ventricular function assessed by 2‐dimensional speckle tracking echocardiography on early mortality in patients with inferior myocardial infarction
Authors: Kanar Batur G. , Tigen Mustafa K. , Sunbul Murat , Cincin Altug , Atas Halil , Kepez Alper , Ozben Beste 
Published: March 2018

BackgroundRight ventricular (RV) involvement in inferior myocardial infarction (MI) increases in‐hospital morbidity and mortality.HypothesisRV systolic dysfunction assessed by 2‐dimensional speckle tracking echocardiography (STE) might be a predictor of early mortality in patients with acute inferior MI.MethodsEighty‐one consecutive patients with acute inferior MI (mean age, 60.8 ± 12.7 years; 18 females) were included. RV myocardial involvement was defined as an elevation >1 mm in V1 or V4R within 12 hours of symptom onset. RV function was assessed by STE. Patients were followed for 30 days for all‐cause mortality.ResultsThirty‐eight patients had RV myocardial involvement, and they had significantly lower tricuspid annular plane systolic excursion (TAPSE), tricuspid annular systolic velocity (RVS), and left ventricular (LV) and RV global longitudinal strain (GLS). Nine patients (11%) died within 30 days. The mean age of mortality group was higher with more female frequency. They had significantly higher pro‐BNP, hs‐troponin T, and creatinine levels, but lower hemoglobin levels. TIMI 3 flow was significantly less achieved in mortality group. RV myocardial involvement was more frequent in the mortality group, and they had significantly lower TAPSE, RVS, and LV and RV GLS. Multivariate analysis revealed that age and RV GLS were independent predictors of early mortality. RV GLS ≤ –14% predicted early mortality in patients with acute inferior MI with a sensitivity of 88.9% and a specificity of 62.5% (AUC: 0.817, P = 0.002).ConclusionsRV GLS may be useful in predicting early mortality in patients with acute inferior MI.
Increased resource use in men with metastatic prostate cancer does not result in improved survival or quality of care at the end of life
Authors: Golan Ron , Bernstein Adrien N. , Gu Xiangmei , Dinerman Brian F. , Sedrakyan Art , Hu Jim C. 
Published: March 2018

BACKGROUNDCancer care and end‐of‐life (EOL) care contribute substantially to health care expenditures. Outside of clinical trials, to our knowledge there exists no standardized protocol to monitor disease progression in men with metastatic prostate cancer (mPCa). The objective of the current study was to evaluate the factors and outcomes associated with increased imaging and serum prostate‐specific antigen use in men with mPCa.METHODSUsing Surveillance, Epidemiology, and End Results‐Medicare data from 2004 to 2012, the authors identified men diagnosed with mPCa with at least 6 months of follow‐up. Extreme users were classified as those who had either received prostate‐specific antigen testing greater than once per month, or who underwent cross‐sectional imaging or bone scan more frequently than every 2 months over a 6‐month period. Associations between extreme use and survival outcomes, costs, and quality of care at EOL, as measured by timing of hospice referral, frequency of emergency department visits, length of stay, and intensive care unit or hospital admissions, were examined.RESULTSOverall, a total of 3026 men with mPCa were identified, 791 of whom (26%) were defined as extreme users. Extreme users were more commonly young, white/non‐Hispanic, married, higher earning, and more educated (P<.001, respectively). Extreme use was not associated with improved quality of care at EOL. Yearly health care costs after diagnosis were 36.4% higher among extreme users (95% confidence interval, 27.4%‐45.3%; P<.001).CONCLUSIONSIncreased monitoring among men with mPCa significantly increases health care costs, without a definitive improvement in survival nor quality of care at EOL noted. Monitoring for disease progression outside of clinical trials should be reserved for those in whom findings will change management. Cancer 2018;124:2212‐9. © 2018 American Cancer Society.
Long‐term outcome of relapsed acute promyelocytic leukemia treated with oral arsenic trioxide‐based reinduction and maintenance regimens: A 15‐year prospective study
Authors: Gill Harinder , Yim Rita , Lee Harold K. K. , Mak Vivien , Lin Shek‐Ying , Kho Bonnie , Yip Sze‐Fai , Lau June S. M. , Li Wah , Ip Ho‐Wan , Hwang Yu‐Yan , Chan Thomas S. Y. , Tse Eric , Au Wing‐Yan , Kumana Cyrus R. , Kwong Yok‐Lam 
Published: March 2018

BACKGROUNDFor patients who have acute promyelocytic leukemia (APL) in second complete remission (CR2), optimal postremission strategies remain undefined.METHODSThe role of an oral arsenic trioxide (As2O3)‐based regimen in the management of patients who had APL in CR2 was examined.RESULTSSeventy‐three patients with APL in first relapse (R1) were studied. Oral As2O3‐based reinduction resulted uniformly in CR2, irrespective of previous As2O3 exposure. All patients received oral As2O3‐based maintenance in CR2. At a median follow‐up of 94 months (range, 9‐205 months), 43 patients (58.9%) were still in CR2, and 49 (67.1%) had finished the planned 2‐year CR2 maintenance with all‐trans retinoic acid, oral As2O3, and ascorbic acid. Reinduction and maintenance treatments were well tolerated. Grade 1 and 2 headache occurred in 20 patients (27.4%). Hepatotoxicity, all in the form of transaminitis, occurred in 35 patients (47.9%; grade 1 and 2, n = 26; grade 3 and 4, n = 9). Three patients had self‐limiting QTc prolongation. The 10‐year leukemia‐free survival rate was 56.8%. Thirty patients developed R2. Oral As2O3‐based reinduction led to CR3 in 27 patients (90%). Post‐CR3 strategies included autologous hematopoietic stem cell transplantation and oral As2O3 maintenance. At a post‐CR3 follow‐up of 30 months (range, 3‐166 months), 11 patients were still in CR3. The 5‐year and 10‐year overall survival rates in the R1 cohort were 79.5% and 67.3%, respectively. Prior receipt of oral As2O3 maintenance in CR1 was the only risk factor for inferior leukemia‐free survival. Central nervous system involvement occurred in 15 patients, including 5 who remained alive. Relapse during oral As2O3 therapy was the only significant risk factor for central nervous system involvement.CONCLUSIONSFor patients with relapsed APL, As2O3 remained effective despite repeated As2O3 exposures. Oral As2O3 maintenance was an effective postremission strategy for CR2. Cancer 2018;124:2316‐26. © 2018 American Cancer Society.
Development of CNS metastases and survival in patients with inflammatory breast cancer
Authors: Uemura Marc I. , French John T. , Hess Kenneth R. , Liu Diane , Raghav Kanwal , Hortobagyi Gabriel N. , Arun Banu K. , Valero Vicente , Ueno Naoto T. , Alvarez Ricardo H. , Woodward Wendy A. , Debeb Bisrat G. , Moulder Stacy L. , Lim Bora , Tripathy Debu , Ibrahim Nuhad K. 
Published: March 2018

BACKGROUNDInflammatory breast cancer (IBC) is associated with a poor prognosis and high risk of central nervous system (CNS) metastases.METHODSWe retrospectively reviewed stage III‐IBC patients compared with noninflammatory invasive ductal carcinoma (NI‐IDC) patients treated between January 1, 1984, and December 31, 2011, who began primary treatment within 1 year of diagnosis and had been followed up for at least 1 year before the development of CNS metastasis or death. Cumulative CNS metastasis incidence and post‐CNS metastasis overall survival (OS) estimates were computed. Multivariable Cox proportional hazard models explored factors for post‐CNS metastasis survival.RESULTSA total of 2323 patients were identified (589‐IBC/1734‐NI‐IDC). Eighty‐one IBC patients developed CNS metastasis, versus 154 NI‐IDC patients. The 2‐, 5‐, and 10‐year cumulative CNS metastasis incidence rates in IBC and NI‐IDC were 9.8%, 15.8%, 17.4% and 6.5%, 10.1%, and 12.7%, respectively. This was significantly different between IBC and NI‐IDC patients (P = .0037). Multicovariate competing risk regression models in IBC and NI‐IDC patients showed no statistically significant associations with the risk of developing CNS metastasis, except neoadjuvant taxane use in NI‐IDC patients (hazard ratio, 0.45; 95% confidence interval, 0.24‐0.83; P = .011). The median follow‐up was 7.2 years, and the median post‐CNS metastasis OS was not significantly different between IBC (7.6 months) and NI‐IDC (5.6 months) patients. One hundred ninety patients with CNS metastasis died. HER2‐positive patients had better OS, with a median 14.1 versus 4.3 months (P < .0001). Age >50 years (P = .012) but not IBC status was a significant predictor of post‐CNS metastasis survival.CONCLUSIONIBC patients demonstrated higher CNS metastasis incidence rates but OS following CNS metastases is similar in both groups. HER2 status and age may play prognostic roles. Cancer 2018;124:2299‐305. © 2018 American Cancer Society.
Impact of the posttransplant lymphoproliferative disorder subtype on survival
Authors: Koff Jean L. , Li Jing‐Xia , Zhang Xinyan , Switchenko Jeffrey M. , Flowers Christopher R. , Waller Edmund K. 
Published: March 2018

BACKGROUNDPosttransplant lymphoproliferative disorder (PTLD) is a life‐threatening complication of solid organ transplantation. Histologic heterogeneity and a lack of treatment standards have made evaluating clinical outcomes in specific patient populations difficult. This systematic literature review investigated the impact of the PTLD histologic subtype on survival in a large data set.METHODSCase series were identified on PubMed with the search terms post‐transplant lymphoproliferative disorder/disease, PTLD, and solid organ transplantation, with additional publications identified through reference lists. The patient characteristics, immunosuppressive regimen, treatment, survival, and follow‐up time for 306 cases were extracted from 94 articles, and these cases were combined with 11 cases from Emory University Hospital. Patients with a recorded subtype were included in a Kaplan‐Meier survival analysis (n = 234). Cox proportional hazards regression analyses identified predictors of overall survival (OS) for each subtype and B‐cell subgroup.RESULTSOS differed significantly between monomorphic T‐cell neoplasms (median, 9 months) and polymorphic, monomorphic B‐cell, and Hodgkin‐type neoplasms, for which the median OS was not reached (P = .0001). Significant differences in OS among B subgroups were not detected, but there was a trend toward decreased survival for patients with Burkitt‐type PTLD. Kidney transplantation and a reduction of immunosuppression were associated with increased OS for patients with B‐cell neoplasms in a multivariate analysis. Immunosuppression with azathioprine was associated with decreased OS for patients with T‐cell neoplasms, whereas radiotherapy was associated with improved OS for patients with that subtype.CONCLUSIONSThe histologic subtype represents an important prognostic factor in PTLD, with patients with T‐cell neoplasms exhibiting very poor OS. Possibly lower survival for certain subsets of patients with B‐cell PTLD should be explored further and suggests the need for subtype‐specific therapies to improve outcomes. Cancer 2018;124:2327‐36. © 2018 American Cancer Society.
Association of externalizing religious and spiritual beliefs on stage of colon cancer diagnosis among black and white multicenter urban patient populations
Authors: Polite Blase N. , Cipriano‐Steffens Toni M. , Hlubocky Fay J. , Jean‐Pierre Pascal , Cheng Ying , Brewer Katherine C. , Rauscher Garth H. , Fitchett George A. 
Published: March 2018

BACKGROUNDThis study explores whether externalizing religious and spiritual beliefs is associated with advanced‐stage colon cancer at initial oncology presentation and whether this association is stronger for blacks than for whites.METHODSPatients who had newly diagnosed, invasive colon cancer were recruited at 9 sites in the Chicago metropolitan area. Eligible patients were non‐Hispanic white or black, ages 30 to 79 years, and diagnosed with a primary invasive colon cancer. Patients were interviewed on prior screening and diagnosis. Social and attitudinal constructs were measured, including the God Locus of Health Control (GLHC) and Religious Problem Solving. The final response rate was 52% and included 407 patients.RESULTSThe median age was 59 years (range, 30‐79 years), and 51% of participants were black. Cancer stage was available for 389 (96%) patients and was divided between late stage (stages III‐IV; 60%) and early stage (stages I‐II; 40%). Multivariate analysis indicated that patients in the highest tertile of scores on the GLHC were more likely have an advanced stage of disease at presentation (odds ratio, 2.14; 95% confidence interval, 1.00‐4.59; P = .05) compared with those in the lowest tertile. No significant interaction was identified between race and GLHC scores for stage at presentation (P = .78).CONCLUSIONSIn a large sample of black and white individuals across diverse health care systems, higher scores on the GLHC predicted late disease stage at presentation. Although blacks had significantly higher GLHC scores, race was not associated with stage at presentation, nor was the association between GLHC and stage limited to blacks. Further work is needed to better understand this association and to develop interventions to better connect the religious and health care spheres. Cancer 2018;124:2578‐87. © 2018 American Cancer Society.
Northern Italy in the American South: Assessing interobserver reliability within the Milan System for Reporting Salivary Gland Cytopathology
Authors: Hollyfield Johnathan M. , O'Connor Siobhan M. , Maygarden Susan J. , Greene Kevin G. , Scanga Lori R. , Tang Sherry , Dodd Leslie G. , Wobker Sara E. 
Published: March 2018

BACKGROUNDThe Milan System for Reporting Salivary Gland Cytopathology (MSRSGC) has been proposed to standardize salivary gland fine‐needle aspiration (FNA) diagnoses. This study assessed salivary gland FNA results and risk of malignancy (ROM) rates at the University of North Carolina as well as the interobserver reliability (IOR) of the atypia of undetermined significance (AUS) and salivary gland neoplasm of uncertain malignant potential (SUMP) categories.METHODSThe electronic medical record was searched for FNA cases from 2010 to 2017 with subsequent surgical resections. Histologic diagnosis was used for gold‐standard comparison. The original cytologic results were then converted into MSRSGC categories (nondiagnostic, nonneoplastic, AUS, benign neoplasm, SUMP, suspicious, and malignant). For the assessment of IOR, 23 cases were selected with enrichment for cases diagnosed as AUS (n = 11) or SUMP (n = 9). Six boarded cytopathologists and 1 cytopathology fellow assessed representative slides and provided an MSRSGC diagnosis for each case. Fleiss' κ coefficients were calculated to determine IOR.RESULTSThe ROM was 33% for both AUS and SUMP cases; however, the risk of neoplasia was 56% for AUS cases and 100% for SUMP cases. Fleiss' κ for the AUS category was 0.217 (P < .05), and Fleiss' κ for the SUMP category was 0.024 (P = .74).CONCLUSIONSIn this study assessing the IOR of MSRSGC categories, fair agreement and slight agreement were found for the AUS and SUMP categories, respectively. Observers preferentially used the AUS or benign neoplasm category for SUMP cases, perhaps because of unfamiliarity with SUMP as a diagnostic option. The initial adoption of a new reporting system will require a quality assessment to ensure that the system is reliable and useful for clinicians. Cancer Cytopathol 2018;126:390‐6. © 2018 American Cancer Society.