bluuebunny/crossref_metadata_2025_split huggingface dataset:
GMCT : A Monte Carlo simulation package for macromolecular receptors
Authors: Ullmann R. Thomas , Ullmann G. Matthias 
Published: January 2012

AbstractGeneralized Monte Carlo titration (GMCT) is a versatile suite of computer programs for the efficient simulation of complex macromolecular receptor systems as for example proteins. The computational model of the system is based on a microstate description of the receptor and an average description of its surroundings in terms of chemical potentials. The receptor can be modeled in great detail including conformational flexibility and many binding sites with multiple different forms that can bind different ligand types. Membrane embedded systems can be modeled including electrochemical potential gradients. Overall properties of the receptor as well as properties of individual sites can be studied with a variety of different Monte Carlo (MC) simulation methods. Metropolis MC, Wang‐Landau MC and efficient free energy calculation methods are included. GMCT is distributed as free open source software at www.bisb.uni‐bayreuth.de under the terms of the GNU Affero General Public License. © 2012 Wiley Periodicals, Inc.
Healing of cutaneous wounds in a freshwater teleost, Labeo rohita: Scanning electron microscopical investigation
Authors: Rai Amita Kumari , Srivastava Nidhi , Nigam Ashwini Kumar , Kumari Usha , Mittal SWATI , Mittal Ajay Kumar 
Published: January 2012

AbstractIn this study, healing of cutaneous wounds in Labeo rohita using scanning electron microscope is reported. Wound area could be divided into three regions. Immediately after infliction of wound, edges retract exposing underlying tissues in wound gap (Region I). Simultaneously, at region close to wound edge (Region II), mucous goblet cell openings are observed with copious mucous secretions. Within 1 h, Region I gets covered by mucous secretions, and epidermis at edges starts migrating. Opposing fronts gradually advance and by 4–6 h come in contact to epithelialize wound gap. Zone of contact of fronts is demarcated by epidermal ridge, which is relatively prominent at 8 h. It gradually diminishes and is not distinguished at 24 h and afterward. At 1–4 h, microridges on epithelial cell surfaces appear irregularly arranged, widely spaced, short with abrupt ends at Region I; relatively extensive at Region II; and similar to those in controls at region surrounding Region II (Region III). At 12 h and afterward, microridges appear similar to those in controls at Regions I and II. At 1–2 h, isolated swollen epithelial cells, often in process of detachment and exfoliation at surface, are observed at Regions I and II. Such cells are infrequent at 8 h and afterward. Region I covered by migrated epidermis appears trough like at 4 h to 2 days, level of which gradually rises and at Day 4, surface of epidermis appears at a level similar to that at Regions II and III. Changes have been associated with the imbalance of osmotic homeostasis due to disruption of barrier between internal and external environment of skin. Microsc. Res. Tech. 2012. © 2012 Wiley Periodicals, Inc.
Comparison Between Two Different Synthetic Routes of Pyrrolidinium Functional Polymeric Ionic Liquids
Authors: Jovanovski Vasko , Cabañero German , Grande Hans , Mecerreyes David 
Published: January 2012

AbstractSummary: Two separate synthetic routes of preparation of new pyrrolidinium‐based polymeric ionic liquids were compared. The first method utilized the modification of a commercial poly(diallyldimethylammonium) chloride via a direct anion exchange with several anions. The second route involved the anion exchange leading to several diallyldimethylammonium ionic liquid monomers having different anions and a subsequent polymerization. The latter method is particularly interesting for attaining tunable copolymers according to the desired properties of PILs. Both methods successfully resulted in ionic liquid polymers that are finding their way in a wide range of emerging applications.
Conductive Composites Based on Metallocene Isotactic Poly(propylene): Preparation and Properties
Authors: Djoumaliisky Strashimir , Benavente Rosario , Kotzev Georgi , Vulchev Vassil , Krusteva Ekaterina , Krastev Rumen 
Published: January 2012

AbstractSummary: The research deals with the preparation and the further comprehensive characterization of metallocene polypropylene‐based composite materials by incorporation of carbon black nanoparticles. Composites containing up to 10 wt% of carbon black were prepared by direct melt mixing in a single screw extruder Brabender Extrusiograph type 30/25D with attached static mixer at melt temperature of 200 °C and a screw speed of 30 rpm, according to a two‐step process. Some composites were treated with 3 wt% maleic anhydride grafted polypropylene (MAH‐PP). The rheological behaviour of the miPP nanocomposites was determined by cone/plate rheological measurements at 180 °C. The composites were characterized by SEM for morphological details and uniaxial stress‐strain measurements for determining the mechanical parameters. Electric conductivity of injection molded plates from these composites was investigated. The different miPPs studied are ranked in an ascending order according to their increasing molecular weight concerning the magnitude of their rheological parameters. The maleic anhydride compatibilizer leads to lower viscosity values even at high shear gradients and to better homogenization of the nanofiller in the polymer matrix. The processing conditions, carbon black concentration and viscosity of the virgin polymer have an impact on the final conductivity of the miPP/carbon black composites.
Apparent diffusion coefficient of hyperpolarized 3He with minimal influence of the residual gas in small animals
Authors: Carrero‐González L. , Kaulisch T. , Ruiz‐Cabello J. , Pérez‐Sánchez J. M. , Peces‐Barba G. , Stiller D. , Rodríguez I. 
Published: January 2012

ABSTRACTThe apparent diffusion coefficient (ADC) of hyperpolarized (HP) gases is a parameter that reflects changes in lung microstructure. However, ADC is dependent on many physiological and experimental variables that need to be controlled or specified in order to ensure the reliability and reproducibility of this parameter. A single breath‐hold experiment is desirable in order to reduce the amount of consumed HP gas. The application of a positive end‐expiratory pressure (PEEP) causes an increase in the residual gas volume. Depending on the applied PEEP, the ratio between the incoming and residual gas volumes will change and the ADC will vary, as long as both gases do not have the same diffusion coefficient. The most standard method for human applications uses air for breathing and a bolus of pure HP 3He for MRI data acquisition. By applying this method in rats, we have demonstrated that ADC values are strongly dependent on the applied PEEP, and therefore on the residual gas volume in the lung. This outcome will play an important role in studies concerning certain diseases, such as emphysema, which is characterized by an increase in the residual volume. Ventilation with an oxygen–helium mixture (VOHeM) is a proposed single breath‐hold method that uses two different gas mixtures (O2–4He for ventilation and HP 3He–N2 for imaging). The concentration of each gas in its respective mixture was calculated in order to obtain the same diffusion coefficient in both mixtures. ADCs obtained from VOHeM are independent of PEEP, thus minimizing the effect of the different residual volumes. Copyright © 2012 John Wiley & Sons, Ltd.
DECENTRALISATION AND CORRUPTION REVISITED: EVIDENCE FROM A NATURAL EXPERIMENT
Authors: Asthana Anand N. 
Published: January 2012

SUMMARYDecentralisation of powers and responsibilities from a higher to a lower level of government has been held out as an answer to a multitude of diverse political challenges. It is often assumed that as an organising principle, decentralisation reduces corruption by bringing government closer to the people. This article adds to the small literature dealing with the relationship between decentralisation and corruption by examining decentralisation of water supply from one level of sub‐national government to another. It extends this literature by considering a dynamic situation and examining whether the relationship changes over time. The area of study covers the rural and semi‐urban areas of two large Indian states. The study compares the level of corruption in piped water supply schemes run by centralised agencies and decentralised agencies. The study is based on experiential, not perception‐based corruption measures We find that decentralisation increases corruption significantly in the immediate aftermath of decentralisation. At the same time, we observe that with time, this increase in corruption is reduced substantially, although the increase persists in the medium term. Copyright © 2012 John Wiley & Sons, Ltd.
Factors associated with the initiation of proton pump inhibitors in corticosteroid users
Authors: Munson Jeffrey C. , Wahl Peter M. , Daniel Gregory , Kimmel Stephen E. , Hennessy Sean 
Published: January 2012

ABSTRACTPurposeProton pump inhibitors (PPIs) and corticosteroids are commonly prescribed drugs; however, each has been associated with fracture and community‐acquired pneumonia. How physicians select patients for co‐therapy may have implications for potential additive or synergistic toxicities.MethodsWe conducted a retrospective cohort study of 13 749 incident corticosteroid users with no prior PPI exposure using the HealthCore Integrated Research DatabaseSM. We used logistic regression to evaluate the association between PPI initiation in the first 30 days of steroid therapy and corticosteroid dose, clinical risk factors including comorbid diseases, and medication use including prescription nonsteroidal anti‐inflammatory drugs (NSAIDs).ResultsA new PPI prescription within 30 days of starting corticosteroids was filled by 1050 patients (7.6%). PPI use was associated with the number of baseline comorbid conditions (OR = 1.21 for each additional condition, 95%CI = 1.13–1.28), recent hospitalization (OR = 4.71, 95%CI = 4.02–5.52), prednisone dose higher than 40 mg/day (OR = 1.87, 95%CI = 1.45–2.41), history of gastroesophageal reflux or gastric ulcer disease (OR = 1.54, 95%CI = 1.24–1.91), renal insufficiency (OR = 2.06, 95%CI = 1.73–2.46), and liver disease (OR = 1.82, 95%CI = 1.45–2.28). The concomitant use of prescription NSAIDs was also associated with PPI use (OR = 1.89, 95%CI = 1.32–2.70); however, the total use of PPIs in this group was low (6.3%, 95%CI = 4.4–8.2%).ConclusionsOverall, PPI therapy among corticosteroid users was uncommon, even among those with risk factors for gastrointestinal toxicity. PPI use was significantly more common among patients who had recently been hospitalized, had a greater burden of comorbid illness, or were receiving high daily doses of corticosteroids. Copyright © 2012 John Wiley & Sons, Ltd.
Factors associated with positive consequences of serving as a family caregiver for a terminal cancer patient
Authors: Kang Jina , Shin Dong Wook , Choi Ji Eun , Sanjo Makiko , Yoon Soo Jin , Kim Hwan Kyun , Oh Myoung Suk , Kwen Hyang Suk , Choi Hae Young , Yoon Wook Hee 
Published: January 2012

AbstractBackgroundWe examined factors associated with positive consequences for family members who served as caregivers of terminal cancer patients.MethodsWe conducted a nationwide cross‐sectional survey of 501 bereaved family members who served as caregivers for terminal cancer patients. The main outcomes were measured by the previously developed Caregiving Consequences Inventory, which assesses perceived rewards and burdens of caregiving.ResultsBereaved family caregivers reported high levels of perceived rewards and burden. Among the characteristics of bereaved family members, older age, female gender, and having a religion were associated with some domains of perceived rewards, but being a spouse of a patient was negatively associated with some domains of perceived rewards. Caregiver depression or perceived burden did not affect positive consequences of caregiving. However, receiving bereavement care was significantly associated with positive outcome in all four perceived reward domains (sense of mastery [adjusted odds ratio {aOR} = 1.69; 95% CI, 1.05–2.70]; appreciation for others [aOR = 2.19; 95% CI, 1.27−3.76]; meaning in life [aOR = 1.80; 95% CI, 1.13–2.89]; and reprioritization about his/her life [aOR = 2.02; 95% CI, 1.27–3.19]).ConclusionsFamily caregivers of terminal cancer patients experience burdens, but caregiving also has positive consequences. This study has important implications for the development of bereavement interventions that aim to encourage positive outcomes and reduce negative outcomes for caregivers.Copyright © 2012 John Wiley & Sons, Ltd.
Electronic properties of asymmetrical quantum dots dressed by laser field
Authors: Kibis O. V. , Slepyan G. Ya. , Maksimenko S. A. , Hoffmann A. 
Published: January 2012

AbstractIn the present paper, we demonstrate theoretically that the strong non‐resonant interaction between asymmetrical quantum dots (QDs) and a laser field results in harmonic oscillations of their band gap. It is shown that such oscillations change the spectrum of elementary electron excitations in QDs: in the absence of the laser pumping there is only one resonant electron frequency, but QDs dressed by the laser field have a set of electron resonant frequencies. One expects that this modification of elementary electron excitations in QDs can be observable in optical experiments.
Ab initio approach to the rate of radiative electron trapping and electron–hole recombination in B‐, C‐, and N‐doped anatase
Authors: Zhukov V. P. , Chulkov E. V. 
Published: January 2012

AbstractWe propose a first‐principle method for evaluating the rate of radiative electron–hole recombination and electron trapping on impurities in semiconductors. The method is based on the Einstein–Planck theory of photon modes and the perturbation theory with dipole approximation for the electron–field interaction. The calculations employing the LMTO‐TB band structure method have been done for anatase doped with boron, carbon, and nitrogen. We find that the doping cannot induce radiative processes of electron trapping or electron–hole recombination.
Isolation and characterization of the flour and starch of plantain bananas (Musa paradisiaca)
Authors: Pelissari Franciele Maria , Andrade‐Mahecha Margarita María , Sobral Paulo José do Amaral , Menegalli Florencia Cecilia 
Published: January 2012

AbstractPlantain bananas of the variety “Terra” (Musa paradisiaca) may have industrial value due to their high starch content. In this research, the flour and starch of such unripe fruit were isolated and their chemical, physicochemical, and structural characteristics were determined. Banana flour and starch had a dry basis yield of 50.6 and 28.5%, and an average granule size of 31.7 and 47.3 µm, respectively. Both raw materials revealed a C‐type pattern and high gelatinization temperatures. The peak viscosity was greater for flour (378.0 RVU) than for starch (252.6 RVU), although the final viscosity was lower. At temperatures above 65°C, the swelling power of banana flour was lower than that of starch, while the solubility of flour was greater than that of starch at all temperatures. Furthermore, the presence of other components in banana flour influenced its physicochemical properties. In general, the flour and starch processed from unripe bananas have numerous possible uses as ingredients in food systems and for other industrial purposes.
Performances of a metallic magnetic calorimeter for the measurement of hard X‐ray emission intensities
Authors: Rodrigues M. , Loidl M. , Le‐Bret C. 
Published: January 2012

The energy spectrum analysis of X‐ray intensities with semiconductor detectors is often difficult because their energy resolution is usually not good enough to separate the different X‐ray lines. Metallic magnetic calorimeters (MMCs) can be an alternative; they can offer both high energy resolution and high intrinsic detection efficiency from 0 to 100 keV. MMCs are thermal detectors; that is to say, the energy of each absorbed photon is measured as a temperature elevation. At very low temperature, typically few tens of mK, a very large pulse height‐to‐noise ratio can be obtained that is an essential condition for high energy resolution.We are involved in the development of MMCs for metrology applications such as the determination of hard X‐ray emission intensities. For that purpose, we conceived an MMC with an energy resolution of 57 eV around 30 keV. The absorber is made of gold providing high intrinsic detection efficiency even for a small volume, greater than 90% below 60 keV. We will describe the physical principle and the practical realisation of this detector and discuss its performances by analysing the energy spectrum obtained from a 133Ba source. Preliminary outcomes of relative emission intensities of the K X‐ray of cesium are presented and compared with other experimental data and theoretical calculations. Copyright © 2012 John Wiley & Sons, Ltd.
A Cadmium Coordination Polymer with a (4, 6)‐Connected 3D Network: Synthesis, Crystal Structure, and Luminescent Properties
Authors: Xu Yun , Che Yun‐Xia , Zheng Ji‐Min 
Published: January 2012

AbstractA 3D coordination polymer [Cd3(btrc)2(L1)2]n (1) [H3btrc = 1, 2, 4‐benzenetricarboxylic acid; L1 = 1, 4‐bis(1‐imidazolyl)butane] was synthesized under hydrothermal conditions. Single crystal X‐ray diffraction study revealed that polymer 1 presents an unusual example of a trinodal (4, 6)‐connected net with (44·62)(44·610·8) fsc topology. In addition, this polymer was investigated by IR and luminescence spectroscopy, as well as thermogravimetric analyses.
Solvothermal Synthesis and Characterization of One‐dimensional Indium Polyselenides with Transition Metal Complexes
Authors: Yao Hua‐Gang , Ji Min , Ji Shou‐Hua , An Yong‐Lin 
Published: January 2012

AbstractTwo different systems were used for syntheses of metal selenides, [Mn(en)3][In2Se5] (1) and [MnSe(en)0.5] (2) by the reactions of In2Se3, MnCl2, and selenium powder at 170 °C for 6 days. Compound 1 contains a one‐dimensional [In2Se5]2– chain propagating along the crystallographic c axis separated by [Mn(en)3]2+ complex cations. The anionic chain is constructed by vertex‐linked InSe4 tetrahedra linked by Se–Se bridges and contains four‐membered [In2Se2] rings and five‐membered [(In3+)2(Se22–)(Se2–)] rings. Compound 2 has a three‐dimensional network containing a monolayer of [MnSe] slabs, which is interconnected by bridging en linkers. The [MnSe] slab is a puckered 63 (honeycomb) net formed by alternating three‐coordinate manganese and selenium atoms.
The role of genital pathogens in morbidity following diathermy loop excision of the transformation zone of the uterine cervix
Authors: Arko Darja , Dovnik Andraž , Fokter Nina , Takač Iztok 
Published: January 2012

AbstractObjectiveTo evaluate the role of genital pathogens in postoperative morbidity following diathermy loop excision of the transformation zone (LETZ) of the uterine cervix.MethodsPatients with cervical intraepithelial neoplasia (CIN) who underwent diathermy LETZ were included in a prospective study. Cervical swabs for genital pathogens were collected before the diathermy procedure. After surgery, women were followed‐up regarding the occurrence and severity of postoperative pain, bleeding, and discharge.ResultsGenital pathogens were present in 463 of 788 (58.8%) cases. The most frequently isolated groups of microorganisms were group B β‐hemolytic Streptococcus, α‐hemolytic Streptococcus, Enterococcus species, and coliforms. In patients with genital pathogens, postoperative pain was present in 298 (37.8%), discharge in 262 (33.2%), and bleeding in 236 (29.9%) cases. In patients without genital pathogens, 199 (25.3%) experienced pain, 181 (23.0%) discharge, and 143 (18.1%) bleeding. The differences between the 2 groups were not statistically significant (χ2 for pain = 0.675; χ2 for discharge = 0.031; χ2 for bleeding = 3.444; P > 0.05).ConclusionGenital pathogens are very common among patients with CIN and do not affect the occurrence or severity of pain, discharge, or postoperative bleeding after diathermy LETZ.
Group B streptococcus and Escherichia coli colonization in pregnant women and neonates in Lithuania
Authors: Barcaite Egle , Bartusevicius Arnoldas , Tameliene Rasa , Maleckiene Laima , Vitkauskiene Astra , Nadisauskiene Ruta 
Published: January 2012

AbstractObjectiveTo evaluate the prevalence of maternal and neonatal colonization with group B streptococcus (GBS) and Escherichia coli, and examine GBS serotypes and susceptibility to antibiotics.MethodsA prospective cross‐sectional study was carried out in Lithuania between October 2006 and June 2007. Lower vaginal/rectal swabs were obtained from pregnant women (n = 998) and ear canal/throat swabs were obtained from their newborns (n = 827) for culture.ResultsOverall, maternal and neonatal GBS colonization rates were 15.3% and 6.4%, respectively. Serotypes III (34.5%) and Ia (29.7%) were most common. All GBS isolates were susceptible to penicillin and 4.1% were resistant to erythromycin. Overall, maternal and neonatal E. coli colonization rates were 19.9% and 14.4%, respectively. In total, 71.4% of newborns with E. coli colonization were born to E. coli‐negative mothers. E. coli was resistant to ampicillin and piperacillin in 25.9% and 16.6% of cases, respectively. The majority of E. coli‐colonized newborns were contaminated with maternal fecal, but not vaginal, E. coli strains.ConclusionMaternal and neonatal GBS colonization rates, serotypes, and susceptibility to antibiotics were comparable to those reported in previous studies. Population‐based data regarding early‐onset neonatal infection rates will enable the formulation of a prevention program for early‐onset GBS disease in Lithuania.
A SIMPLIFIED PROOF OF HESSELHOLT’S CONJECTURE ON GALOIS COHOMOLOGY OF WITT VECTORS OF ALGEBRAIC INTEGERS
Authors: ONG WILSON 
Published: January 2012

AbstractLet K be a complete discrete valuation field of characteristic zero with residue field kK of characteristic p>0. Let L/K be a finite Galois extension with Galois group G=Gal(L/K) and suppose that the induced extension of residue fields kL/kK is separable. Let 𝕎n(⋅) denote the ring of p-typical Witt vectors of length n. Hesselholt [‘Galois cohomology of Witt vectors of algebraic integers’, Math. Proc. Cambridge Philos. Soc.137(3) (2004), 551–557] conjectured that the pro-abelian group {H1 (G,𝕎n (𝒪L))}n≥1 is isomorphic to zero. Hogadi and Pisolkar [‘On the cohomology of Witt vectors of p-adic integers and a conjecture of Hesselholt’, J. Number Theory131(10) (2011), 1797–1807] have recently provided a proof of this conjecture. In this paper, we provide a simplified version of the original proof which avoids many of the calculations present in that version.
XXX. History of the Boat which gave Peter the Great the first Thought of building the Russian Fleet
Authors: Ellis Henry 
Published: January 2012

Among the Sloane Manuscripts in the British Museum there is one, entitled “The Story of the Ship's Boat which gave Peter the Great the first Thought of building the Russian Fleet.”I am not aware that it has been in print; nor have I found it known to persons whose literary means, and whose knowledge of all which has been published in this or any other country relating to Russia, has enabled them to call such a Tract to recollection. It must have been written more than a century ago, since it is found in Sir Hans Sloane's Collection of Manuscripts, which was transferred to the Trustees of the British Museum in, or soon after, 1753.