bluuebunny/crossref_metadata_2025_split huggingface dataset:
Stoichiometric modeling of oxidation of reduced inorganic sulfur compounds (Riscs) in Acidithiobacillus thiooxidans
Authors: Bobadilla Fazzini Roberto A. , Cortés Maria Paz , Padilla Leandro , Maturana Daniel , Budinich Marko , Maass Alejandro , Parada Pilar 
Published: February 2013

AbstractThe prokaryotic oxidation of reduced inorganic sulfur compounds (RISCs) is a topic of utmost importance from a biogeochemical and industrial perspective. Despite sulfur oxidizing bacterial activity is largely known, no quantitative approaches to biological RISCs oxidation have been made, gathering all the complex abiotic and enzymatic stoichiometry involved. Even though in the case of neutrophilic bacteria such as Paracoccus and Beggiatoa species the RISCs oxidation systems are well described, there is a lack of knowledge for acidophilic microorganisms. Here, we present the first experimentally validated stoichiometric model able to assess RISCs oxidation quantitatively in Acidithiobacillus thiooxidans (strain DSM 17318), the archetype of the sulfur oxidizing acidophilic chemolithoautotrophs. This model was built based on literature and genomic analysis, considering a widespread mix of formerly proposed RISCs oxidation models combined and evaluated experimentally. Thiosulfate partial oxidation by the Sox system (SoxABXYZ) was placed as central step of sulfur oxidation model, along with abiotic reactions. This model was coupled with a detailed stoichiometry of biomass production, providing accurate bacterial growth predictions. In silico deletion/inactivation highlights the role of sulfur dioxygenase as the main catalyzer and a moderate function of tetrathionate hydrolase in elemental sulfur catabolism, demonstrating that this model constitutes an advanced instrument for the optimization of At. thiooxidans biomass production with potential use in biohydrometallurgical and environmental applications. Biotechnol. Bioeng. 2013; 110: 2242–2251. © 2013 Wiley Periodicals, Inc.
A Dopamine Electrochemical Sensor Based on Molecularly Imprinted Poly(acrylamidophenylboronic acid) Film
Authors: Hong Shuangjin , Lee Lawrence Yoon Suk , So Ming‐Him , Wong Kwok‐Yin 
Published: February 2013

AbstractMolecularly imprinted polymeric films were prepared on the surface of a gold electrode by reductive electrochemical co‐polymerization of 3‐acrylamidophenylboronic acid (AABA), acrylamide (as spacer monomer), and N,N′‐methylenebisacrylamide (as crosslinker monomer) in the presence of dopamine in water. The analytical determination of dopamine was investigated with this molecularly imprinted poly(AABA) film‐modified gold electrode using cyclic voltammetry, electrochemical quartz crystal balance, and differential pulse voltammetry. The covalent nature of dopamine‐boronic acid interaction as well as the negative charge on the molecularly imprinted polymeric film at physiological pH allowed excellent selectivity against ascorbic acid and other structurally similar interferents. The sensitivity of molecularly imprinted poly(AABA)‐modified electrode was further improved by depositing a thin layer of multiwalled carbon nanotubes on the gold electrode surface prior to electropolymerization. The increased surface area due to the presence of carbon nanotubes improved the dopamine sensor’s detection limit to ∼20 nM as determined by differential pulse voltammetry. A linear dependence of peak current in the differential pulse voltammograms was obtained over the dopamine concentration range from 50 nM to 2 µM.
High‐resolution estimate for the depositional duration of the Triassic Latemar Platform: A new magnetostratigraphy and magnetic susceptibility cyclostratigraphy from basinal sediments at Rio Sacuz, Italy
Authors: Spahn Z. P. , Kodama K. P. , Preto N. 
Published: February 2013

AbstractA new magnetostratigraphy and magnetic susceptibility cyclostratigraphy from Middle Triassic basinal sediments at Rio Sacuz, northern Italy, suggests a depositional duration of ~1 myr for most of the 670 m carbonate Latemar Platform, giving a high‐resolution estimate for the duration for the Latemar's deposition. The new magnetostratigraphy from Rio Sacuz clarifies the ambiguities in a previous magnetostratigraphic study of the Latemar caused by lightning strike remagnetizations. Our Rio Sacuz study was unaffected by lightning. Using thermal demagnetization, we show a Normal‐Reversed‐Normal‐Reversed sequence at the Latemar‐correlated locality of Rio Sacuz. With a polarity interval duration of ~0.25–0.5 myr for the Middle Triassic, this gives a depositional duration of ~1–2 myr. Rock magnetic experiments show that the magnetic carrier is magnetite, suggesting a primary, depositional‐age remanence. Measurement of magnetic susceptibility at 1 m intervals from Rio Sacuz reveals eight short eccentricity cycles (~95–125 kyr) bundled into slightly more than two 405 kyr long eccentricity cycles indicating a more precise duration for the Rio Sacuz section of 0.8 to 1 myr. The shorter depositional duration required by this study forces a sub‐Milankovitch time scale of 1–2 kyr for the Latemar platform's meter‐scale rhythmic bedding and provides strong evidence for nonorbitally driven climate change in the Middle Triassic.
Large mineralogically distinct impact melt feature at Copernicus crater – Evidence for retention of compositional heterogeneity
Authors: Dhingra Deepak , Pieters Carle M. , Head James W. , Isaacson Peter J. 
Published: February 2013

AbstractDespite several lines of evidence for efficient mixing of impact melt in complex craters, we document mineralogical heterogeneity in impact melt deposit on a scale of tens of kilometers on the Moon in the 96 km‐diameter Copernicus crater. This heterogeneity is in the form of a large, sinuous impact melt feature on the floor and northern wall that is spectrally distinct from melt in its immediate vicinity. This melt feature spanning >30 km in length and 0.5–5 km in width has relatively short‐wavelength, narrow ferrous absorption bands near ~900 nm and ~2000 nm indicating a more Mg‐rich pyroxene composition as compared to impact melt deposit in the vicinity which is relatively rich in Fe/Ca‐pyroxenes. This distinction provides evidence for the preservation of compositional heterogeneity in impact melt in complex craters on the Moon and documents an example of inefficient mixing of melt during the cratering process.
Constructing China's Roads as Works of Art: A Case Study of “Esthetic Greenway” Construction in the Shennongjia Region of China
Authors: Cheng B. , Lv Y. , Zhan Y. , Su D. , Cao S. 
Published: February 2013

AbstractSustainable development based on economic growth that is environmentally sound is increasingly essential. To achieve both ecological and social progress without detracting from China's primary economic objectives, China's Ministry of Communications has promoted the strategy of harmonious road systems, for which artistic principles are incorporated in the road's design to balance the needs of the environment with those of socioeconomic development without neglecting human esthetic needs. To illustrate the new strategy's impact, we examined a project that has been conducted following this approach in the Shennongjia region of China's Hubei Province since 2004. As in the use of ecological corridors, the new strategy emphasizes the need to decrease the impact of road construction on plant and animal habitats by emphasizing the protection of existing natural habitats and the use of local species for revegetation of the land surrounding the roads. However, it also emphasizes the need to improve traffic safety, promote local tourism and economic growth, and provide a demonstration to citizens (including bureaucrats) of the need for environmental protection both during and after road construction. After 6 years of monitoring, we found that the new strategy both satisfies the human desire for beauty and improves the road's harmony with nature and the surrounding visual landscape while promoting environmental conservation, ecotourism, traffic safety, socioeconomic development, and cultural values. This approach will help to guide future landscape design, planning, and management. Copyright © 2013 John Wiley & Sons, Ltd.
Comment on SESAM‐free mode‐locked semiconductor disk laser
Authors: Wilcox Keith G. , Tropper Anne C. 
Published: February 2013

AbstractThe authors of the recent paper titled “SESAM‐free mode‐locked semiconductor disk laser” [1] make the claim that Kerr lens mode‐locking has been observed in a SESAM free semiconductor disk laser. However, the data presented in the manuscript at best weakly support the central claim that this laser is mode‐locked and at worst are simply the characterisation of a continuous‐wave (CW) laser. The physical principles of mode‐locking are clearly defined in many text books as well as in the first paper reporting mode‐locking [2] and more recently the work of H. A. Haus [3]. When reporting a new mode‐locking technique for a particular class of laser, it is essential to pay detailed attention to the measured characteristics. It is also helpful to comment on the strength of the mode‐locking mechanism. In this case, for example, the effective Kerr lens could be calculated, or better, experimentally measured, to further support the central claim.
Rationalization of interpretation of uroflowmetry for a non‐caucasian (Indian) population: conceptual development and validation of volume‐normalized flow rate index
Authors: Agarwal Mayank Mohan , Patil ShivKumar , Roy Kishore , Bandawar Mayur , Choudhury Sunirmal , Mavuduru Ravimohan , Sharma Suresh K. , Mandal Arup K. , Singh Shrawan K. 
Published: February 2013

AbstractAimsWe intended to define volume‐normalized flow rates (cQ; VQI) and to construct and validate uroflow (Q)–volume (V) nomograms in our Indian (non‐Caucasian) population.MethodsProspective observational study. Participants: Group A, male healthy volunteers 18–45 years without LUTS. Group B, men >18 years with LUTS (IPSS > 7; global QOL > 2). The participants voided in standing on normal‐to‐strong desire into digital gravimetric uroflowmeter. Data of <50 ml void and intermittent flow was discarded. Reference cQ calculated using (i) Von Garrelts equations (=Q/), (ii) cubic equations (=Q/). Bladder volume (BV) rather than voided volume (VV) was considered for Q–V relation (BV = VV + PVR). VQI derived from present data were compared with the reference‐VQI in terms of differences in area‐under‐curve of receiver operating characteristics. For comparing sensitivity, specificity and predictive values of study nomograms with Caucasian nomograms (Liverpool and Siroky), data of group‐A and ‐B were plotted on each nomogram and no. of observations above and below the cutoffs (defined as equivalent to −1 SD) manually counted.ResultsTotal 542 voids of group‐A and 465 of group‐B included for final analysis. Q–V relation was best described as [Q ∝ BV2.4 ≅ BV2]. The derived VQI (=Q/ ≅ Q/) fared significantly superior to reference VQI with VV as denominator. Nomograms, constructed on Q ∝ BV2, were less sensitive but had higher specificity and positive predictive values compared to Caucasian nomograms.ConclusionsVolume‐normalized flow‐rate index with BV as denominator (Q/) is has highly discriminative value in screening for voiding dysfunction. Population‐specific Q–BV nomograms are more specific and predictive than Caucasian Q–VV nomograms. Neurourol. Urodynam. 33:135–141, 2014. © 2013 Wiley Periodicals, Inc.
Influence of stereoregularity and linkage groups on chiral recognition of poly(phenylacetylene) derivatives bearing L‐leucine ethyl ester pendants as chiral stationary phases for HPLC
Authors: Zhang Chunhong , Liu Fangbin , Li Yufa , Shen Xiande , Xu Xiaodong , Sakai Ryosuke , Satoh Toshifumi , Kakuchi Toyoji , Okamoto Yoshio 
Published: February 2013

AbstractStereoregular poly(phenylacetylene) derivatives bearing L‐leucine ethyl ester pendants, poly‐1 and poly‐2a, were, respectively, synthesized by the polymerization of N‐(4‐ethynylphenylcarbamoyl)‐L‐leucine ethyl ester (1) and N‐(4‐ethynylphenyl‐carbonyl)‐L‐leucine ethyl ester (2) using Rh(nbd)BPh4 as a catalyst, while stereoirregular poly‐2b was synthesized by solid‐state thermal polymerization of 2. Their chiral recognition abilities for nine racemates were evaluated as chiral stationary phases (CSPs) for high‐performance liquid chromatography (HPLC) after coating them on silica gel. Both poly‐1 and poly‐2a with a helical conformation showed their characteristic recognition depending on coating solvents and the linkage groups between poly(phenylacetylene) and L‐leucine ethyl ester pendants. Poly‐2a with a shorter amide linkage showed higher chiral recognition than poly‐1 with a longer urea linkage. Coating solvents played an important role in the chiral recognition of both poly‐1 and poly‐2a due to the different conformation of the polymer main chains induced by the solvents. A few racemates were effectively resolved on the poly‐2a coated with a MeOH/CHCl3 (3/7, v/v) mixture. The separation factors for these racemates were comparable to those obtained on the very popular CSPs derived from polysaccharide phenylcarbamates. Stereoirregular poly‐2b exhibited much lower chiral recognition than the corresponding stereoregular, helical poly‐2a, suggesting that the regular structure of poly(phenylacetylene) main chains is essential to attain high chiral recognition. © 2013 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013
Ring‐opening polymerization of lactones using binaphthyl‐diyl hydrogen phosphate as organocatalyst and resulting monosaccharide functionalization of polylactones
Authors: Miao Yong , Phuphuak Yupin , Rousseau Cyril , Bousquet Till , Mortreux André , Chirachanchai Suwabun , Zinck Philippe 
Published: February 2013

AbstractBinaphthyl‐diyl hydrogen phosphate has been assessed for the first time as a catalyst for the ring‐opening polymerization of ε‐caprolactone (CL) and δ‐valerolactone (VL). In the presence of benzyl alcohol as coinitiator at 40–60 °C, the polymerization is quantitative and controlled both in terms of dispersity and of number‐average molecular weight corresponding to the monomer/initiator ratio. The use of a selectively protected D‐glucose derivative bearing the primary C6 hydroxyl group as initiator leads to the quantitative end‐functionalization of the polyesters in rather short reaction times (ca. 10 min at 60 °C for δ‐VL) with dispersities around 1.08–1.10. Methyl‐α‐D‐glucopyranoside has been used as a carbohydrate polyol initiator in bulk. The initiation efficiency is partial, leading to hydrophilic carbohydrates functionalized polylactones in a one‐step procedure. © 2013 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013
Application of parylene for surface (polymer) enhanced laser desorption/ionization of synthetic polymers
Authors: Miksa Beata J. , Sochacki Marek , Sroka‐Bartnicka Anna , Uznański Paweł , Nosal Andrzej , Potrzebowski Marek J. 
Published: February 2013

RATIONALESynthetic polymers of molecular masses up to a few kDa can be analyzed without the use of any matrix by direct laser desorption/ionization mass spectrometry (LDI‐MS). In this technique, the surface of the sample plate plays a crucial role, and many attempts have been made to understand the influence of the surface on the ease of desorption. Since this technique requires no tedious sample pretreatment, it is a promising method for the rapid characterization of various synthetic polymers.METHODSParylene (poly(p‐xylylenes), PPX) was tested as a surface support for studying the molecular masses of biocompatible polymers: poly(ethylene glycol) (PEG), poly(L‐lactide) (PLLA), and poly(methyl methacrylate) (PMMA). The average molecular masses of the polymers were: PEG (600.0 Da and 3.5 kDa), PMMA (2.0 kDa), and PLLA (2.8 kDa).RESULTSLDI mass spectra of polymers deposited on parylene were enhanced by a factor of two over those obtained directly from the gold target plate.CONCLUSIONSModification of the surface of the target plate by the addition of a PPX layer extended the functionality of LDI‐TOF MS, especially for the analysis of low‐mass compounds. The LDI analysis using the PPX‐coated target plate provided details of polymers including: end‐group, composition, monomer unit, and molecular mass distribution. The average molecular weights of four tested polymers on the gold target plate and the PPX support were unchanged, indicating that sample degradation was not occurring despite the high energy of the laser beam. The LDI investigations showed that the PPX support boosted ion yields by a factor of two compared with the gold target plate. Copyright © 2013 John Wiley & Sons, Ltd.
Penalized regression and risk prediction in genome‐wide association studies
Authors: Austin Erin , Pan Wei , Shen Xiaotong 
Published: February 2013

AbstractAn important task in personalized medicine is to predict disease risk based on a person's genome, e.g. on a large number of single‐nucleotide polymorphisms (SNPs). Genome‐wide association studies (GWAS) make SNP and phenotype data available to researchers. A critical question for researchers is how to best predict disease risk. Penalized regression equipped with variable selection, such as least absolute shrinkage and selection operator (LASSO) and smoothly clipped absolute deviation (SCAD), is deemed to be promising in this setting. However, the sparsity assumption taken by the LASSO, SCAD, and many other penalized regression techniques may not be applicable here: it is now hypothesized that many common diseases are associated with many SNPs with small to moderate effects. In this article, we use the GWAS data from the Wellcome Trust Case Control Consortium (WTCCC) to investigate the performance of various unpenalized and penalized regression approaches under true sparse or non‐sparse models. We find that in general penalized regression outperformed unpenalized regression; SCAD, truncatedL1−penalty (TLP), and LASSO performed best for sparse models, while elastic net regression was the winner, followed by ridge, TLP, and LASSO, for non‐sparse models. © 2013 Wiley Periodicals, Inc. Statistical Analysis and Data Mining, 2013
Tautomerism in nucleic acid bases and base pairs: a brief overview
Authors: Shukla Manoj K. , Leszczynski Jerzy 
Published: February 2013

AbstractThis article provides a brief overview of current status of studies on nucleic acid bases and base pairs tautomeric properties in the different environments. Applications of high‐level theoretical calculations have been found to be extremely useful in interpreting and enlightening complex experimental results. Actually, theory and experiments are complementary to each other and therefore it is not surprising that application of theoretical calculations were necessary to assign relatively higher energy tautomers of guanine in the gas phase. Inability to observe the stable tautomers in the laser‐desorbed guanine in the jet‐cooled beam demands more experiments and rigorous analysis. The usefulness of theoretical methods in the assignment of tautomeric forms of other bases and base pairs has also been discussed. Furthermore, we would like to state that recent surge in the high‐level computation of system such as nucleic acid bases and base pairs is only possible due to the advancement in state‐of‐the‐art computer hardware and computational algorithms. Afterward, it is not unexpected to assume that future investigations would utilize high‐level quantum chemistry calculation more rigorously in explaining complex experimental data as well as in revealing new phenomena not studied by experiments. WIREs Comput Mol Sci 2013, 3:637–649. doi: 10.1002/wcms.1145This article is categorized under:

Structure and Mechanism > Molecular Structures
Structure and Mechanism > Computational Biochemistry and Biophysics
Challenges of safe medication practice in paediatric care – a nursing perspective
Authors: Star Kristina , Nordin Karin , Pöder Ulrika , Edwards I Ralph 
Published: February 2013

AbstractAimTo explore nurses’ experiences of handling medications in paediatric clinical practice, with a focus on factors that hinder and facilitate safe medication practices.MethodsTwenty nurses (registered nurses) from four paediatric wards at two hospitals in Sweden were interviewed in focus groups. The interviews were analysed using content analysis.ResultsSix themes emerged from the analysed interviews: the complexity specific for nurses working on paediatric wards is a hindrance to safe medication practices; nurses’ concerns about medication errors cause a considerable psychological burden; the individual nurse works hard for safe medication practices and values support from other nurse colleagues; circumstances out of the ordinary are perceived as critical challenges for maintaining patient safety; nurses value clear instructions, guidelines and routines, but these are often missing, variable or changeable; management, other medical professionals, the pharmacy, the pharmaceutical industry and informatics support need to respond to the requirements of the nurses’ working situations to improve safe medication practices.ConclusionWeaknesses were apparent in the long chain of the medication‐delivery process. A joint effort by different professions involved in that delivery process, and a nationwide collaboration between hospitals is recommended to increase safe medication practices in paediatric care.
Contrast‐induced acute kidney injury following PCI
Authors: Tehrani Shana , Laing Chris , Yellon Derek M. , Hausenloy Derek J. 
Published: February 2013

AbstractBackgroundCoronary revascularization using percutaneous coronary intervention (PCI) is one of the major treatments for patients with stable coronary artery disease, with approximately 1.5 million patients undergoing PCI in the United States and Europe every year. An important neglected complication of PCI is contrast‐induced acute kidney injury (CI‐AKI).DesignIn this article, we review the definition, pathogenesis and management of CI‐AKI and highlight potential therapeutic options for preventing CI‐AKI in post‐PCI patients.ResultsCI‐AKI is an important but underdiagnosed complication of PCI that is associated with increased in‐hospital morbidity and mortality. Patients with pre‐existing renal impairment and diabetes are particularly susceptible to this complication post‐PCI. Optimization of the patients' circulating volume remains the mainstay for preventing CI‐AKI, although the best strategy for achieving this is still controversial.ConclusionFollowing PCI, CI‐AKI is an overlooked complication which is associated with significant morbidity and mortality. In this article, we review the pathophysiology of CI‐AKI in patients undergoing PCI and discuss the potential therapeutic options for preventing it.