bluuebunny/crossref_metadata_2025_split huggingface dataset:
Understanding Bacterial Bioluminescence: A Theoretical Study of the Entire Process, from Reduced Flavin to Light Emission
Authors: Hou Cong , Liu Ya‐Jun , Ferré Nicolas , Fang Wei‐Hai 
Published: May 2014

AbstractBacterial bioluminescence (BL) has been successfully applied in water‐quality monitoring and in vivo imaging. The attention of researchers has been attracted for several decades, but the mechanism of bacterial BL is still largely unknown due to the complexity of the multistep reaction process. Debates mainly focus on three key questions: How is the bioluminophore produced? What is the exact chemical form of the bioluminophore? How does the protein environment affect the light emission? Using quantum mechanics (QM), combined QM and molecular mechanics (QM/MM) and molecular dynamic (MD) calculations in gas‐phase, solvent and protein environments, the entire process of bacterial BL was investigated, from flavin reduction to light emission. This investigation revealed that: 1) the chemiluminescent decomposition of flavin peroxyhemiacetal does not occur through the intramolecular chemical initiated electron exchange luminescence (CIEEL) or the “dioxirane” mechanism, as suggested in the literature. Instead, the decomposition occurs according to the charge‐transfer initiated luminescence (CTIL) mechanism for the thermolysis of dioxetanone. 2) The first excited state of 4a‐hydroxy‐4a,5‐dihydroFMN (HFOH) was affirmed to be the bioluminophore of bacterial BL. This study provides details regarding the mechanism by which bacterial BL is produced and is helpful in understanding bacterial BL in general.
Mechanistic Study of a Switch in the Regioselectivity of Hydroheteroarylation of Styrene Catalyzed by Bimetallic Ni–Al through CH Activation
Authors: Chen Wen‐Ching , Lai Ying‐Chieh , Shih Wei‐Chun , Yu Ming‐Shiuan , Yap Glenn P. A. , Ong Tiow‐Gan 
Published: May 2014

AbstractWe previously reported a highly efficient protocol for bimetallic Ni–Al‐catalyzed hydroheteroarylation of styrene with benzimidazole based on CH bond activation. We have now delineated the mechanism of this process, providing a rationale for an observed switch in regioselectivity in the presence of the Lewis acid, AlMe3. The present mechanistic study gives insights for the rational development of catalysts that exhibit required linear/branched selectivity.
Preparation and Enantioselectivity Binding Studies of a New Chiral Cobalt(II)porphyrin‐Tröger's Base Conjugate
Authors: Tatar Ameneh , Valík Martin , Novotná Jana , Havlík Martin , Dolenský Bohumil , Král Vladimír , Urbanová Marie 
Published: May 2014

ABSTRACTA new bis[cobalt(II)porphyrin]‐Tröger's base conjugate was studied as a potential receptor for methyl esters of several amino acids. The conjugate was prepared as racemate, and then resolved via preparative high‐performance liquid chromatography (HPLC) on a chiral column. The high affinity to lysine, histidine, and proline methyl esters was found by complexation studies followed by UV‐Vis spectroscopy. The studies of pure enantiomers, followed by UV‐Vis and electronic circular dichroism spectroscopy, revealed the highest enantioselectivity for lysine methyl ester. Chirality 26:361–367, 2014. © 2014 Wiley Periodicals, Inc.
Comparative effectiveness of aggressive versus nonaggressive treatment among men with early‐stage prostate cancer and differing comorbid disease burdens at diagnosis
Authors: Daskivich Timothy J. , Lai Julie , Dick Andrew W. , Setodji Claude M. , Hanley Janet M. , Litwin Mark S. , Saigal Christopher ,   the Urologic Diseases in America Project
Published: May 2014

BACKGROUNDThis study sought to compare the effectiveness of aggressive versus nonaggressive treatment in reducing cancer‐specific mortality for older men with early‐stage prostate cancer across differing comorbid disease burdens at diagnosis.METHODSIn total, the authors sampled 140,553 men aged ≥66 years with early‐stage prostate cancer who were diagnosed between 1991 and 2007 from the Surveillance, Epidemiology, and End Results‐Medicare database. Propensity‐adjusted competing‐risks regression analysis was used to compare the risk of cancer‐specific mortality between men who received aggressive versus nonaggressive treatment among comorbidity subgroups.RESULTSIn propensity‐adjusted competing‐risks regression analysis, aggressive treatment was associated with a significantly lower risk of cancer‐specific mortality among men who had Charlson scores of 0, 1, and 2 but not among men who had Charlson scores ≥3 (subhazard ratio, 0.85; 95% confidence interval, 0.62‐1.18). The absolute reduction in 15‐year cancer‐specific mortality between men who received aggressive versus nonaggressive treatment was 6.1%, 4.3%, 3.9%, and 0.9% for men with Charlson scores of 0, 1, 2, and ≥3, respectively. Among men who had well‐differentiated and moderately‐differentiated tumors, aggressive treatment again was associated with a lower risk of cancer‐specific mortality for those who had Charlson scores of 0, 1, and 2 but not for those who had Charlson scores ≥3 (subhazard ratio, 1.14; 95% confidence interval, 0.70‐1.89). The absolute reduction in 15‐year cancer‐specific mortality between men who received aggressive versus nonaggressive treatment was 3.8%, 3%, 1.9%, and −0.5% for men with Charlson scores of 0, 1, 2, and ≥3, respectively.CONCLUSIONSThe cancer‐specific survival benefit from aggressive treatment for early‐stage prostate cancer diminishes with increasing comorbidity at diagnosis. Men with Charlson scores ≥3 garner no survival benefit from aggressive treatment. Cancer 2014;120:2432–2439. © 2014 American Cancer Society.
Climbing fiber projections in relation to zebrin stripes in the ventral uvula in pigeons
Authors: Pakan Janelle M.P. , Graham David J. , Wylie Douglas R. 
Published: May 2014

ABSTRACTThe cerebellum consists of sagittally oriented zones that are delineated by afferent input, Purkinje cell response properties, and the expression of molecular markers such as zebrin II (ZII). ZII is heterogeneously expressed in Purkinje cells such that there are parasagittal stripes of high expression (ZII+) interdigitated with stripes of little or no expression (ZII−). In pigeons, folium IXcd consists of seven pairs of ZII+/− stripes denoted P1+/− (medial) to P7+/− (lateral). In the present study we examined the climbing fiber input to the medial half of folium IXcd, the ventral uvula, which spans the medial two stripe pairs (P1+/− to P2+/−). Purkinje cells in the ventral uvula respond to patterns of optic flow resulting from self‐motion through the environment along translational axes and their climbing fibers originate in the lateral half of the medial column in the inferior olive (mcIO). Using anterograde injections into this region of the mcIO, we found the following topographic relationship: climbing fibers from the caudal lateral mcIO were located in P1+ and medial P1− ZII stripes; climbing fibers from the rostral lateral mcIO were located in lateral P2+ and P2− ZII stripes, and climbing fibers from the middle lateral mcIO were located in lateral P1− and medial P2+ ZII stripes. These data complement our previous findings showing a topographic relationship between Purkinje cell responses to optic flow visual stimuli and ZII stripes. Taken together, we suggest that a ZII+/− stripe pair may represent a functional unit in the pigeon vestibulocerebellum. J. Comp. Neurol. 522:3629–3643, 2014. © 2014 Wiley Periodicals, Inc.
Intravenous pharmacokinetics, local tolerability, and hemolysis of an SBE7‐β‐cyclodextrin formulation of the neurokinin‐1 receptor antagonist vestipitant
Authors: Brigandi Richard A. , Russ Steven F. , Petit Chantal , Johnson Brendan , Croy Scott , Hodsman Peter , Muller Fran 
Published: May 2014

AbstractVestipitant is a potent and selective neurokinin 1 (NK‐1) receptor antagonist that was investigated as a potential treatment for post‐operative nausea and vomiting (PONV). A previous mannitol‐based formulation of vestipitant was associated with hemolytic activity in preclinical studies. In an effort to reduce the hemolytic potential and develop an IV formulation of vestipitant that could be administered more rapidly, an IV formulation containing sulfobutylether‐7‐beta‐cyclodextrin (SBE7‐β‐CD, Captisol™) was developed and tested in a phase 1 clinical study. This was a randomized, single‐blind (subjects and investigator—blinded, sponsor‐unblinded), placebo controlled, dose escalation study in healthy subjects in which 7 cohorts of 8 subjects per cohort received SBE7‐β‐CD ‐based vestipitant (2 mg/mL) or placebo (saline) in a 3:1 ratio (active:placebo) at different doses and infusion rates. The results demonstrated the ability to infuse up to 48 mg vestipitant in a 2 mg/mL formulation over 30 seconds with no evidence of hemolytic effects. Cohorts of subjects at lower doses and longer infusion duration (>1 minute) reported more AEs related to the infusion site than those at the higher doses and faster infusion rates.
Synthesis of Sulfonic Acid Containing Ionic‐Liquid‐Based Periodic Mesoporous Organosilica and Study of Its Catalytic Performance in the Esterification of Carboxylic Acids
Authors: Elhamifar Dawood , Karimi Babak , Moradi Abbas , Rastegar Javad 
Published: May 2014

AbstractA new sulfonic acid containing ionic‐liquid‐based periodic mesoporous organosilica (PMO‐IL‐SO3H) material was prepared and its catalytic application was investigated in the esterification of carboxylic acids with alcohols. The PMO‐IL‐SO3H nanocatalyst was first characterized with diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy, transmission electron microscopy (TEM), thermogravimetric analysis (TGA), and nitrogen sorption analysis. Then, the catalytic performance of this material was studied in the esterification of carboxylic acids with short‐ and long‐chain aliphatic alcohols, cyclic alcohols, and benzylic alcohols under solvent‐free conditions. The results showed that the catalyst has superior activity for the conversion of several alcohols to afford the corresponding ester products in excellent yields and high purity. Moreover, the catalyst could be recovered and reused several times without a significant decrease in activity and product selectivity.
Recycling Nanoparticle Catalysts without Separation Based on a Pickering Emulsion/Organic Biphasic System
Authors: Liu Huifang , Zhang Zhiming , Yang Hengquan , Cheng Fangqin , Du Zhiping 
Published: May 2014

AbstractA conceptually novel methodology is explored for in situ recycling of nanoparticle catalysts based on transforming a conventional organic/aqueous biphasic system into a Pickering emulsion/organic biphasic system (PEOBS). The suggested PEOBS exists as two phases, with the nanoparticle catalyst “anchored” in the Pickering emulsion phase, but is “continuous” between the organic phase and the continuous phase of the Pickering emulsion. Aqueous hydrogenations are used to evaluate the reaction performances of PEOBS, and the underlying principles of PEOBS are preliminarily elaborated. The unique properties of PEOBS lead to many intriguing findings, which are unlikely to be achieved in the reported biphasic systems. PEOBS exhibits more than a fourfold enhancement in catalysis efficiency in comparison with a conventional biphasic system. Impressively, PEOBS enables the organic product to be facilely isolated through simple decantation and the nanoparticle catalyst can be recycled in situ without the need for “separation”. Its recycling effectiveness is justified by ten reaction cycles without significant catalyst loss. The simple protocol, in conjunction with the stability to simultaneously achieve high catalysis efficiency and excellent catalyst recyclability, makes PEOBS a promising methodology to develop more sustainable nanocatalysis.
A multi‐objective optimization model based on immune algorithm in wireless mesh networks
Authors: Chen Jing , He Kun , Du Ruiying , Yu Fajiang , Yuan Quan , Wang Lina , Fu Cai 
Published: May 2014

SummaryWith the characteristics of high self‐organized, dynamic, and interoperable, the wireless mesh network (WMN) is deemed as a potential technology to be applied widely for home, enterprise, and social public service. Many current optimization schemes usually focus on a single metric such as network deployment cost, throughput, QoS, and so on, but few schemes consider that the optimized metric may affect other metrics of WMN. In practice, the influence among the different metrics is often nonignorable. To optimize the performance from a global perspective, we propose a multi‐objective optimization model based on immune algorithm (MOM‐IA), which provides a paradigm to find the optimal solution satisfying some different restriction conditions. To simplify, MOM‐IA mainly analyzes the restriction relationship of connectivity, redundancy, and throughput, which are the multiple objects. Considering the characteristic of dynamic and the discrete integer parameters in WMN, we design a longtime evolution immune algorithm to solve the MOM. Finally, the analysis of experiments presents that MOM‐IA has good performance in solution set diversity and Pareto‐front distribution, which means the probability to find the optimal solution in WMN. Copyright © 2014 John Wiley & Sons, Ltd.
Desmoplastic small round cell tumor with sphere‐like clusters mimicking adenocarcinoma
Authors: Hattori Yukinori , Yoshida Akihiko , Sasaki Naoshi , Shibuki Yasuo , Tamura Kenji , Tsuta Koji 
Published: May 2014

AbstractDesmoplastic small round cell tumor (DSRCT) is a rare and aggressive neoplasm that predominantly affects young men. DSRCT often presents as multiple nodules on the serosal surface and is histologically categorized as a small round cell tumor. However, the cytological spectrum of DSRCT is not fully understood because of its rarity. Here, we report an unusual case of DSRCT that showed spheres of cells without stromal cores in pleural fluid cytology material, a finding that is typically associated with metastatic adenocarcinoma and mesothelioma. The specimen from a simultaneous needle biopsy showed the classic histology of DSRCT, comprising nests of small round cells set in desmoplasia. The diagnosis of DSRCT was further supported by immunohistochemical coexpression of cytokeratin and desmin, as well as Ewing sarcoma breakpoint region 1 gene rearrangement, which was determined by fluorescence in situ hybridization. The unusual cytological finding in this case illustrates a potential pitfall of the cytological diagnosis of pleural fluid or ascites. DSRCT should not be excluded from the differential diagnosis when sphere‐like round cell clusters are observed in pleural or abdominal effusion, particularly in young male patients. Diagn. Cytopathol. 2015;43:214–217. © 2014 Wiley Periodicals, Inc.
Development of Sensor and Control Systems of a Wearable Robot to Walk on a Step
Authors: Oda Yuki , Kagawa Takahiro , Uno Yoji 
Published: May 2014

SUMMARYThe goal of our study is to develop a system for walking on a step using a wearable robot. Our system consists of (1) sensing of a step from the movement of the walker, (2) detection of the foot placement state related to the step, and (3) generation of gait patterns of climbing and stepping down for the step. In the generation of gait patterns for the step, toe trajectories are generated according to the height of the step to avoid collision of the swinging leg with the step. The hip trajectory is generated by an optimization technique that minimizes the sum of the joint angular jerk of the robot subject to constraints on the hip position and the velocity at toe liftoff. Each joint angle trajectory is calculated from the generated trajectories by means of inverse kinematic equations. We investigated the feasibility of the proposed sensor and control systems for two steps with different heights.
Optimal Digital Controller Design for a Servo Motor Taking Account of Intersample Behavior
Authors: Akiyoshi Tatsuro , Imai Jun , Funabiki Shigeyuki 
Published: May 2014

SUMMARYA continuous‐time plant with a discretized continuous‐time controller does not yield stability if the sampling rate is lower than some certain level. Thus far, high‐performance electronic control has made use of expensive hardware needed to implement discretized continuous‐time controllers; low‐cost hardware generally does not have a sufficiently high sampling rate. This technical note presents results comparing performance indexes with and without intersample behavior, and provides some answers to the question of how a low‐specification device can control a plant effectively. We consider a machine simulating wafer handling robots, which is an electromechanical system driven by a direct drive motor, at a semiconductor factory. We illustrate the controller design for the robot with and without intersample behavior, and present simulations and experimental results using these controllers. Taking intersample behavior into account proves to be effective in improving control performance and makes it possible to choose a relatively long sampling period. Controller design in terms of the performance index with intersample behavior makes it possible to deal with situations in which a sufficiently short sampling period may not be employed, and freedom of controller design may be widened, especially regarding the choice of the sampling period.
Cyanido‐Bearing Cobalt(II/III) Metalloligands – Synthesis, Crystal Structure, and Magnetic Properties
Authors: Alexandru Maria‐Gabriela , Visinescu Diana , Marino Nadia , De Munno Giovanni , Vallejo Julia , Lloret Francesc , Julve Miguel 
Published: May 2014

AbstractNew examples of cyanido‐bearing cobalt(III/II) complexes have been obtained by treatment of CoCl2·6H2O with bidentate nitrogen donors and potassium cyanide in a methanol/water mixture. Depending on the chelating ligand, the cobalt(III) complexes PPh4[Co(en)(CN)4] (1, en = ethylenediamine), PPh4[Co(ampy)(CN)4]·1.5H2O [2, ampy = 2‐(aminomethyl)pyridine], and PPh4[Co(phen)(CN)4]·CH3OH·0.25H2O (3, phen = 1,10‐phenanthroline) and the cobalt(II) complex PPh4[Co(dmphen)(CN)3]·3H2O (4, dmphen = 2,9‐dimethyl‐1,10‐phenanthroline) were obtained. The complexes were characterized by single‐crystal X‐ray diffraction and variable‐temperature magnetic measurements. They are all mononuclear species with six‐coordinate cobalt(III) (1–3) and five‐coordinate cobalt(II) centers (4), and two nitrogen atoms from each bidentate ligand (1–4) and four (1–3) or three cyanide carbon atoms (4) build somewhat distorted octahedral (1–3) or square‐pyramidal (4) surroundings. Complexes 1–3 are diamagnetic cobalt(III) compounds, whereas 4 is a low‐spin cobalt(II) complex that exhibits Curie behavior in the temperature range 10–300 K. The g values of the X‐band electron paramagnetic resonance (EPR) spectrum of 4 both in the solid state and in dichloromethane solution at 4.0 K (g⟂ = 2.28 > g∥ = 2.0) reveal that its unpaired electron is defined by a d‐type orbital. Complexes 1–4 can be viewed as new metalloligands for metal assemblies.
Iron‐Catalyzed Arylation of Aromatic Ketones and Aldehydes Mediated by Organosilanes
Authors: Savela Risto , Majewski Marcin , Leino Reko 
Published: May 2014

AbstractA simple and efficient iron‐catalyzed method for arylation of aromatic carbonyl compounds is reported. The use of 4 % FeCl3 or Fe(acac)3 as the catalyst, in combination with a slight excess of chlorotrimethylsilane and triethylsilane, chlorination of benzylic ketones and aldehydes with subsequent Friedel–Crafts alkylation of arenes is achieved. Although the method is limited by the general constraints associated with Friedel–Crafts alkylation reactions, robust applications for the synthesis of pharmaceutical intermediates and so on can be envisioned.
Pascal's Wager and Information
Authors: Schredelseker Klaus 
Published: May 2014

ABSTRACTShould we make financial forecasts? The usual answer looks like Pascal's wager: we don't know whether God exists; who erroneously believes loses nothing, who correctly believes wins everything; who correctly disbelieves, gains nothing, who erroneously disbelieves loses everything. Believing is thus a dominant choice. Turned to finance: markets are efficient or not. In an efficient market forecasters and non‐forecasters win nothing; in a non‐ efficient market forecasters win and non‐forecasters lose. Forecasting is rational if inefficiencies have a probability > 0. We use an agent‐based approach in studying the information value in a market with endogenous prices. We show that in inefficient markets rational traders don't make forecasts and an improvement in public information may even be harmful for the users. On average, an investor who has no information (index investor) performs like the market does; it is impossible that all others—those who know more than nothing—perform better. Pascal's wager does not apply. Copyright © 2014 John Wiley & Sons, Ltd.
The Synthesis of Pamidronic Derivatives in Different Solvents: An Optimization and a Mechanistic Study
Authors: Kovács Rita , Grün Alajos , Németh Orsolya , Garadnay Sándor , Greiner István , Keglevich György 
Published: May 2014

ABSTRACTThe synthesis of pamidronic acid and sodium pamidronate dihydrate from β‐alanine and P‐reagents (phosphorus trichloride and phosphorous acid) was investigated at 75°C in different solvents, and the preparation was optimized. In sulfolane, the use of 2 equiv of phosphorus trichloride and phosphorous acid was found the optimum to lead to pamidronic acid in a yield of 63%. In methanesulfonic acid, 3.2 equiv of phosphorus trichloride was necessary without any phosphorous acid to give pamidronate dihydrate in the best yield (57%) after hydrolysis and pH adjustment. In the first case, the P‐nucleophile may be (HO)2P–O–PCl–O–P(OH)2 or (HO)2P–O–PCl2, whereas in the second case, the P‐reactant is probable Cl2P–O–S(O)2Me. It can be said that the mechanism proposed for the formation of pamidronic acid is highly influenced by the solvent used, as it determines the necessary P‐reagent(s). Our results promote the “on purpose” planning of the synthesis of dronates.
Chromosomal aberrations of cancer–testis antigens in myeloma patients
Authors: Curioni‐Fontecedro Alessandra , Martin Vittoria , Vogetseder Alexander , Knuth Alexander , Moch Holger , Soldini Davide , Tinguely Marianne 
Published: May 2014

AbstractCancer–testis antigens (CTAgs) play a major role in the immune response against cancer, but their biological functions in germ and cancer cells is still unclear. MAGE‐C1 and MAGE‐C2 are two CTAgs located at the Xq27 region of chromosome X and frequently expressed in multiple myeloma. Chromosomal rearrangements often occur in myeloma. We therefore investigated whether numerical and structural chromosomal aberrations correlate with their protein expression in primary multiple myelomas. To this aim, we designed new fluorescence in situ hybridization probes specific for the MAGE region in the Xq27 region and evaluated simultaneously aberrations of the X chromosome centromere. The comparison of MAGE copy number and chromosome X status revealed that MAGE copy number changes occurred in 6/43 (14%) cases, independent of concomitant X chromosome alterations. These numerical aberrations are less frequent than the expression of MAGE‐C1 and MAGE‐C2 (63% and 27% of patients, respectively) and do not always correlate with MAGE‐C1 and MAGE‐C2 expressions, suggesting alternative regulatory mechanisms in the expression of these genes. Copyright © 2014 John Wiley & Sons, Ltd.