bluuebunny/crossref_metadata_2025_split huggingface dataset:
Understanding the Role of Gold Nanoparticles in Enhancing the Catalytic Activity of Manganese Oxides in Water Oxidation Reactions
Authors: Kuo Chung‐Hao , Li Weikun , Pahalagedara Lakshitha , El‐Sawy Abdelhamid M. , Kriz David , Genz Nina , Guild Curtis , Ressler Thorsten , Suib Steven L. , He Jie 
Published: October 2014

AbstractThe Earth‐abundant and inexpensive manganese oxides (MnOx) have emerged as an intriguing type of catalysts for the water oxidation reaction. However, the overall turnover frequencies of MnOx catalysts are still much lower than that of nanostructured IrO2 and RuO2 catalysts. Herein, we demonstrate that doping MnOx polymorphs with gold nanoparticles (AuNPs) can result in a strong enhancement of catalytic activity for the water oxidation reaction. It is observed that, for the first time, the catalytic activity of MnOx/AuNPs catalysts correlates strongly with the initial valence of the Mn centers. By promoting the formation of Mn3+ species, a small amount of AuNPs (<5 %) in α‐MnO2/AuNP catalysts significantly improved the catalytic activity up to 8.2 times in the photochemical and 6 times in the electrochemical system, compared with the activity of pure α‐MnO2.
Highly Specific Electrochemical Analysis of Cancer Cells using Multi‐Nanoparticle Labeling
Authors: Wan Ying , Zhou Yi‐Ge , Poudineh Mahla , Safaei Tina Saberi , Mohamadi Reza M. , Sargent Edward H. , Kelley Shana O. 
Published: October 2014

AbstractCirculating tumor cells (CTCs) can be collected noninvasively and provide a wealth of information about tumor phenotype. For this reason, their specific and sensitive detection is of intense interest. Herein, we report a new, chip‐based strategy for the automated analysis of cancer cells. The nanoparticle‐based, multi‐marker approach exploits the direct electrochemical oxidation of metal nanoparticles (MNPs) to report on the presence of specific surface markers. The electrochemical assay allows simultaneous detection of multiple different biomarkers on the surfaces of cancer cells, enabling discrimination between cancer cells and normal blood cells. Through multiplexing, it further enables differentiation among distinct cancer cell types. We showcase the technology by demonstrating the detection of cancer cells spiked into blood samples.
Liquid‐Free Lithium–Oxygen Batteries
Authors: Balaish Moran , Peled Emanuel , Golodnitsky Diana , Ein‐Eli Yair 
Published: October 2014

AbstractNon‐aqueous lithium–oxygen batteries are considered as most advanced power sources, albeit they are facing numerous challenges concerning almost each cell component. Herein, we diverge from the conventional and traditional liquid‐based non‐aqueous Li–O2 batteries to a Li–O2 system based on a solid polymer electrolyte (SPE‐) and operated at a temperature higher than the melting point of the polymer electrolyte, where useful and most applicable conductivity values are easily achieved. The proposed SPE‐based Li‐O2 cell is compared to Li–O2 cells based on ethylene glycol dimethyl ether (glyme) through potentiodynamic and galvanostatic studies, showing a higher cell discharge voltage by 80 mV and most significantly, a charge voltage lower by 400 mV. The solid‐state battery demonstrated a comparable discharge‐specific capacity to glyme‐based Li–O2 cells when discharged at the same current density. The results shown here demonstrate that the safer PEO‐based Li–O2 battery is highly advantageous and can potentially replace the contingent of liquid‐based cells upon further investigation.
Kinetic Resolution of Racemic Mandelic Acid Esters by N,N′‐Dioxide–Scandium‐Complex‐Catalyzed Enantiomer‐Selective Acylation
Authors: Zhang Yuheng , Liu Xiaohua , Zhou Lin , Wu Wangbin , Huang Tianyu , Liao Yuting , Lin Lili , Feng Xiaoming 
Published: October 2014

AbstractA simple and efficient acylative kinetic resolution of racemic mandelic acid esters was accomplished with a chiral N,N’‐dioxide–scandium(III) complex under mild and base‐free reaction conditions. A variety of mandelic acid esters performed well in the reaction, obtaining both acylated products (up to 49% yield, 97% ee) and recovered substrates (up to 49% yield, 95% ee) in high enantioselectivities with perfect selectivity factors (up to 247). The enantioselective recognition and catalytic models were also proposed for the catalytic KR reaction.
Green Colorants Based on Energetic Azole Borates
Authors: Glück Johann , Klapötke Thomas M. , Rusan Magdalena , Stierstorfer Jörg 
Published: October 2014

AbstractThe investigation of green‐burning boron‐based compounds as colorants in pyrotechnic formulations as alternative for barium nitrate, which is a hazard to health and to the environment, is reported. Metal‐free and nitrogen‐rich dihydrobis(5‐aminotetrazolyl)borate salts and dihydrobis(1,3,4‐triazolyl)borate salts have been synthesized and characterized by NMR spectroscopy, elemental analysis, mass spectrometry, and vibrational spectroscopy. Their thermal and energetic properties have been determined as well. Several pyrotechnic compositions using selected azolyl borate salts as green colorants were investigated. Formulations with ammonium dinitramide and ammonium nitrate as oxidizers and boron and magnesium as fuels were tested. The burn time, dominant wavelength, spectral purity, luminous intensity, and luminous efficiency as well as the thermal and energetic properties of these compositions were measured.
Thermodynamic Study of Dihydrogen Phosphate Dimerisation and Complexation with Novel Urea‐ and Thiourea‐Based Receptors
Authors: Bregović Nikola , Cindro Nikola , Frkanec Leo , Užarević Krunoslav , Tomišić Vladislav 
Published: October 2014

AbstractComplexation of dihydrogen phosphate by novel thiourea and urea receptors in acetonitrile and dimethyl sulfoxide was studied in detail by an integrated approach by using several methods (isothermal titration calorimetry, ESI‐MS, and 1H NMR and UV spectroscopy). Thermodynamic investigations into H2PO4− dimerisation, which is a process that has been frequently recognised, but rarely quantitatively described, were carried out as well. The corresponding equilibrium was taken into account in the anion‐binding studies, which enabled reliable determination of the complexation thermodynamic quantities. In both solvents the thiourea derivatives exhibited considerably higher binding affinities with respect to those containing the urea moiety. In acetonitrile, 1:1 and 2:1 (anion/receptor) complexes formed, whereas in dimethyl sulfoxide only the significantly less stable complexes of 1:1 stoichiometry were detected. The solvent effects on the thermodynamic parameters of dihydrogen phosphate dimerisation and complexation reactions are discussed.
Mechanistic Study of Silver‐Mediated Furan Formation by Oxidative Coupling
Authors: Daru János , Benda Zsuzsanna , Póti Ádám , Novák Zoltán , Stirling András 
Published: October 2014

AbstractDensity functional calculations and experiments have been carried out to unravel the mechanism of a silver‐mediated furan formation by oxidative coupling. Various possible reaction paths were considered and the most favorable channel has been identified on the basis of the calculated solvent‐corrected Gibbs free‐energy profiles. The mechanism represented by this route consists of a radical and a subsequent ionic route. The silver cation has a double role in the mechanism: it is the oxidant in the radical steps and the catalyst for the ionic steps, which is in accordance with the experimental observations. The two most important aspects of the optimal route are the formation of a silver–acetylide, reacting subsequently with the enolate radical, and the aromatic furan‐ring formation in a single step at the latter, ionic segment of the reaction path. Our findings could explain several experimental observations, including the “key‐promoter role” of silver, the preference for ionic cyclization, and the reduced reactivity of internal acetylides.
A Well‐Defined Monomeric Aluminum Complex as an Efficient and General Catalyst in the Meerwein–Ponndorf–Verley Reduction
Authors: McNerney Brian , Whittlesey Bruce , Cordes David B. , Krempner Clemens 
Published: October 2014

AbstractThe metal‐catalyzed Meerwein–Ponndorf–Verley (MPV) reduction allows for the mild and sustainable reduction of aldehydes and ketones but has not found widespread application in organic synthesis due to the high catalyst loading often required to obtain satisfactory yields of the reduced product. We report here on the synthesis and structure of a sterically extremely overloaded siloxide‐supported aluminum isopropoxide capable of catalytically reducing a wide range of aldehydes and ketones (52 examples) in excellent yields under mild conditions and with low catalyst loadings. The unseen activity of the developed catalyst system in MPV reductions is due to its unique monomeric nature and the neutral donor isopropanol weakly coordinating to the aluminum center. The present work implies that monomeric aluminum alkoxide catalysts may be attractive alternatives to transition‐metal‐based systems for the selective reduction of aldehydes and ketones to primary and secondary alcohols.
Computational Cogitation of Cn@Al12 Clusters
Authors: Irving Benjamin J. , Naumkin Fedor Y. 
Published: October 2014

AbstractA variety of novel CnAl12 core–shell nanoclusters have been investigated using density functional calculations. A series of Cn cores (n=1–4) have been encapsulated by icosahedral Al12, with characteristic physical properties (energetics and stabilities, ionisation energies, electron affinities) calculated for each cluster. Other isomers, with the Cn moiety bound externally to the Al12 shell, have also been studied. For both series, a peak in stability was found for n(C)=2, a characteristic that appears to be inextricably linked with the relaxation of the constituent parts upon dissociation. Analysis of trends for ionisation energies and electron affinities includes evaluation of contributions from the carbon and aluminium components, which highlights the effects of composition and morphology on cluster properties.
Alpha thalassemia allelic frequency in Lebanon
Authors: Farra Chantal , Badra Rebecca , Fares Farah , Muwakkit Samar , Dbaibo Ghassan , Dabbous Ibrahim , Ashkar Hanine , Mounsef Carla , Abboud Miguel R. 
Published: October 2014

BackgroundHemoglobinopathies are the most common reported monogenic disorders worldwide. It is well established that Mediterranean and Arab countries are high risk areas for thalassemia in general, and for alpha thalassemia in particular. Reports of alpha thalassemia gene mutations from the Lebanese population are limited.ProcedureWe investigated the spectrum of alpha thalassemia mutations in a sample of 70 unrelated Lebanese families. Six different mutations of alpha thalassemia gene were identified.ResultsThe most prevalent mutations were the single gene deletion −α3.7 (43%) and the non‐gene deletion α2 IVS1 [–5nt] (37%). The double deletional determinant –MED was detected only in 14% of thalassemic chromosomes.ConclusionWe determined the mutational spectrum of alpha thalassemia which might be used in the future for molecular investigations of the disease in susceptible patients in our population. Pediatr Blood Cancer 2015;62:120–122. © 2014 Wiley Periodicals, Inc.
Radiation exposure to comforters and carers during paediatric molecular radiotherapy
Authors: Gains J. E. , Walker C. , Sullivan T. M. , Waddington W. A. , Fersht N. L. , Sullivan K. P. , Armstrong E. , D'Souza D. P. , Aldridge M. D. , Bomanji J. B. , Gaze M. N. 
Published: October 2014

BackgroundTo show whether the incidental radiation exposure received by comforters and carers of children undergoing molecular radiotherapy was kept as low as reasonably achievable and was within English national dose constraints.ProcedureThe radiation exposure of adult comforters and carers was routinely monitored with a whole body personal dose meter while the child was in hospital. Data were collected on iodine‐131 meta‐iodobenzylguanidine (131I‐mIBG), lutetium‐177 DOTATATE (177Lu‐DOTATATE), and iodine‐131 sodium iodide (131I‐NaI) treatments.ResultsData were available for 50 treatments with high‐administered activity double‐infusion 131I‐mIBG and 12 single administrations; 15 177Lu‐DOTATATE treatments and 28 131I‐NaI administrations. The median age was 7 years (1–18). The median administered activity of: 131I‐mIBG was 16.2 GBq (6.8–59 GBq) for double infusion patients and 8.1 GBq (5.26–16.25 GBq) for single administrations; 177Lu‐DOTATATE was 7.2 GBq (2.5–7.5 GBq); and 131I‐NaI was 3 GBq for thyroid remnant ablation and 5.5 GBq for cancer therapy. The median number of comforters and carers for all administrations was 2 (range 1–9). The median exposure values for comforters and carers for high‐administered activity 131I‐mIBG administrations was 302 µSv (0–5282 µSv); for single fraction 131I‐mIBG 163 µSv (3–3104 µSv); 177Lu‐DOTATATE 6 µSv (1–79 µSv); and 131I‐NaI 37 µSv (0–274 µSv). Only one of the comforters and carers exceeded the dose constraint of 5 mSv.ConclusionsDoses to comforters and carers were in all but one case within the dose constraint nationally recommended by the Health Protection Agency, now part of Public Health England. New evidence is presented which show that comforter and carer radiation exposure levels from paediatric molecular radiotherapy in routine clinical practice are acceptably low. Pediatr Blood Cancer 2015;62:235–239. © 2014 Wiley Periodicals, Inc.
Genetic analysis and clinical picture of severe congenital neutropenia in Israel
Authors: Lebel Asaf , Yacobovich Joanne , Krasnov Tanya , Koren Ariel , Levin Carina , Kaplinsky Chaim , Ravel‐Vilk Shoshana , Laor Ruth , Attias Dina , Barak Ayelet Ben , Shtager Dalia , Stein Jerry , Kuperman Amir , Miskin Hagit , Dgany Orly , Giri Neelam , Alter Blanche P. , Tamary Hannah 
Published: October 2014

BackgroundThe relative frequency of mutated genes among patients with severe congenital neutropenia (SCN) may differ between various ethnic groups. To date, few population‐based genetic studies have been reported. This study describes the genetic analysis of 32 Israeli patients with SCN.ProceduresClinical data were retrieved from the prospective Israeli Inherited Bone Marrow Failure Registry. Recruitment included living and deceased patients who were diagnosed between 1982 and 2012, for whom molecular diagnosis was performed. ELANE, HAX1 and G6PC3 genes were sequenced in all patients, and GFI‐1 and WAS genes were sequenced if other genes were wildtype.ResultsEleven patients (34%) had heterozygous mutations in ELANE (10 kindreds), eight (25%) had homozygous mutations in G6PC3 (5 kindreds) and 13 (41%) had no detected mutations. No patients had mutations in HAX1 or WAS. Four of the eight patients with G6PC3 mutations had congenital anomalies. The probability of survival for all patients was 50% at age of 18. Deaths were mainly due to sepsis (5 patients, 4/5 not responding to G‐CSF, none with G6PC3 mutation). Two patients developed acute myelogenous leukemia (AML) and one myelodysplastic syndrome (MDS), none with G6PC3 mutation.ConclusionsWe found a unique pattern of SCN mutations in Israel with homozygous G6PC3 mutations in eight (25%) patients, the highest frequency described so far. HAX1 mutations, reported mainly in Sweden and Iran, were absent. Patients with G6PC3 mutations had congenital anomalies, appeared to have a better response to G‐CSF, and so far have not developed AML or MDS. Pediatr Blood Cancer 2015;62:103–108. © 2014 Wiley Periodicals, Inc.
Bone marrow transplantation for non‐malignant diseases using treosulfan‐based conditioning
Authors: Dinur‐Schejter Yael , Krauss Aviva C. , Erlich Odeya , Gorelik Natan , Yahel Anat , Porat Iris , Weintraub Michael , Stein Jerry , Zaidman Irina , Stepensky Polina 
Published: October 2014

BackgroundTreosulfan (treo) is an alkylating agent with a low acute toxicity profile that is increasingly used in hematopoietic stem cell transplantation, predominantly in non‐malignant diseases. Treosulfan is usually combined with additional agents, but there is scant evidence to allow comparison between different conditioning protocols using treosulfan. We present the experience of three pediatric transplantation centers in Israel using different treosulfan‐based conditioning regimens.ProcedureData were collected retrospectively on 44 children who underwent 45 hematopoietic stem cell transplantations using treosulfan in combination with either fludarabine (flu) and thiotepa (tt) (n = 20), cyclophosphamide (cy) (n = 6) or fludarabine alone (n = 19).ResultsOverall survival (OS) was 70.5%. Disease free survival (DFS) was 54.6%. There was no statistically significant difference between treatment groups in either OS or DFS. Overall survival in patients younger than one year was higher (88.2%). There were significantly more patients with 100% donor chimerism transplanted with flu/treo/tt compared with flu/treo or treo/cy (94.7% compared to 66.7% and 16.7%, respectively). Further prospective studies are required to determine the optimal treosulfan‐based preparative regimen for children with non‐malignant diseases. Pediatr Blood Cancer 2015;62:299–304. © 2014 Wiley Periodicals, Inc.
Deletion at 6q24.2–26 predicts longer survival of high‐grade serous epithelial ovarian cancer patients
Authors: Kamieniak Marta M. , Rico Daniel , Milne Roger L. , Muñoz-Repeto Ivan , Ibáñez Kristina , Grillo Miguel A. , Domingo Samuel , Borrego Salud , Cazorla Alicia , García-Bueno José M. , Hernando Susana , García-Donas Jesús , Hernández-Agudo Elena , y Cajal Teresa Ramón , Robles-Díaz Luis , Márquez-Rodas Ivan , Cusidó Maite , Sáez Raquel , Lacambra-Calvet Carmen , Osorio Ana , Urioste Miguel , Cigudosa Juan C. , Paz-Ares Luis , Palacios José , Benítez Javier , García María J. 
Published: October 2014

Standard treatments for advanced high‐grade serous ovarian carcinomas (HGSOCs) show significant side‐effects and provide only short‐term survival benefits due to disease recurrence. Thus, identification of novel prognostic and predictive biomarkers is urgently needed. We have used 42 paraffin‐embedded HGSOCs, to evaluate the utility of DNA copy number alterations, as potential predictors of clinical outcome. Copy number‐based unsupervised clustering stratified HGSOCs into two clusters of different immunohistopathological features and survival outcome (HR = 0.15, 95%CI = 0.03–0.81; Padj = 0.03). We found that loss at 6q24.2–26 was significantly associated with the cluster of longer survival independently from other confounding factors (HR = 0.06, 95%CI = 0.01–0.43, Padj = 0.005). The prognostic value of this deletion was validated in two independent series, one consisting of 36 HGSOCs analyzed by fluorescent in situ hybridization (P = 0.04) and another comprised of 411 HGSOCs from the Cancer Genome Atlas study (TCGA) (HR = 0.67, 95%CI = 0.48–0.93, Padj = 0.019). In addition, we confirmed the association of low expression of the genes from the region with longer survival in 799 HGSOCs (HR = 0.74, 95%CI = 0.61–0.90, log‐rank P = 0.002) and 675 high‐FIGO stage HGSOCs (HR = 0.76, 95%CI = 0.61–0.96, log‐rank P = 0.02) available from the online tool KM‐plotter. Finally, by integrating copy number, RNAseq and survival data of 296 HGSOCs from TCGA we propose a few candidate genes that can potentially explain the association. Altogether our findings indicate that the 6q24.2–26 deletion is an independent marker of favorable outcome in HGSOCs with potential clinical value as it can be analyzed by FISH on tumor sections and guide the selection of patients towards more conservative therapeutic strategies in order to reduce side‐effects and improve quality of life.
Improved Functional Capacity Evaluation Performance Predicts Successful Return to Work One Year After Completing a Functional Restoration Rehabilitation Program
Authors: Fore Lisa , Perez Yoheli , Neblett Randy , Asih Sali , Mayer Tom G. , Gatchel Robert J. 
Published: October 2014

AbstractObjectiveTo evaluate whether functional capacity evaluation (FCE) scores are responsive to functional restoration treatment, and to assess the ability of FCEs at program discharge to predict work outcomes.DesignAn interdisciplinary cohort study of prospectively collected data.SettingA functional restoration center.PatientsA consecutive sample of 354 patients with chronic disabling occupational musculoskeletal disorders (CDOMDs) completed a functional restoration program consisting of quantitatively directed exercise progression and multi‐modal disability management with interdisciplinary medical supervision.MethodsEach patient participated in an FCE at admission and discharge from treatment. The results of each FCE yielded the physical demand level (PDL) at which patients were functioning. Patients were initially divided into 5 PDL groups, based on job‐of‐injury lifting, carrying, and pushing/pulling requirements, for the pre‐ to posttreatment responsiveness analyses. Patients were subsequently divided into 5 PDL groups, based on their performance on the FCE upon program completion.Main Outcome MeasuresOutcome measures included admission‐to‐discharge changes in PDLs and 2 specific FCE lifting tasks: isokinetic lifting; and the Progressive Isoinertial Lifting Evaluation (PILE). Socioeconomic outcomes were also evaluated, including post‐discharge work return and work retention 1‐year after treatment completion.ResultsOverall, 96% of the patients demonstrated improvement in their PDLs from admission to discharge. A majority of patients (56%) were able to achieve a discharge PDL that was comparable to their estimated job‐of‐injury lifting requirement or higher (P < .001). Lifting ability improved from admission to discharge by approximately 50% (all P < .001). Discharge PDLs predicted both work return (P < .001) and work retention (P < .001) 1 year later.ConclusionsFCE scores were responsive to functional restoration treatment, and the associated discharge PDLs predicted work return after treatment completion and work retention 1 year later.
LocalAli: an evolutionary-based local alignment approach to identify functionally
conserved
modules in multiple networks
Authors: Hu Jialu , Reinert Knut 
Published: October 2014

Abstract
Motivation: Sequences and protein interaction data are of significance to understand the underlying molecular mechanism of organisms. Local network alignment is one of key systematic ways for predicting protein functions, identifying functional modules and understanding the phylogeny from these data. Most of currently existing tools, however, encounter their limitations, which are mainly concerned with scoring scheme, speed and scalability. Therefore, there are growing demands for sophisticated network evolution models and efficient local alignment algorithms.
Results: We developed a fast and scalable local network alignment tool called LocalAli for the identification of functionally conserved modules in multiple networks. In this algorithm, we firstly proposed a new framework to reconstruct the evolution history of conserved modules based on a maximum-parsimony evolutionary model. By relying on this model, LocalAli facilitates interpretation of resulting local alignments in terms of conserved modules, which have been evolved from a common ancestral module through a series of evolutionary events. A meta-heuristic method simulated annealing was used to search for the optimal or near-optimal inner nodes (i.e. ancestral modules) of the evolutionary tree. To evaluate the performance and the statistical significance, LocalAli were tested on 26 real datasets and 1040 randomly generated datasets. The results suggest that LocalAli outperforms all existing algorithms in terms of coverage, consistency and scalability, meanwhile retains a high precision in the identification of functionally coherent subnetworks.
Availability: The source code and test datasets are freely available for download under the GNU GPL v3 license at https://code.google.com/p/localali/ .
Contact: jialu.hu@fu-berlin.de or knut.reinert@fu-berlin.de .
Supplementary information: Supplementary data are available at Bioinformatics online.