bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Raman spectrum of grossular garnet: a quantum mechanical simulation of wavenumbers and intensities
Authors: Maschio Lorenzo , Demichelis Raffaella , Orlando Roberto , Pierre Marco De La , Mahmoud Agnes , Dovesi Roberto 
Published: June 2014

AbstractRaman spectroscopy is a standard and powerful investigation technique for minerals, and garnet is one of the most observed and visible minerals, undoubtfully important both as a witness of our planet's evolution and as a main component in many high‐tech applications. This paper presents the Raman spectrum of grossular, the calcium–aluminium end‐member of garnets (Ca 3Al 2Si 3O12), as computed by using an ab initio quantum‐mechanical approach, an all‐electron Gaussian‐type basis set and the hybrid B3LYP functional. The wavenumbers of the 25 Raman active modes are in excellent agreement with the available experimental measurements, with the mean absolute difference being between 5 and 8 cm  − 1. The apparent disagreement between a few experimental vs calculated data can be easily justified through the analysis of the corresponding calculated peak intensities, which is very low in all of these cases. The intensities of the Raman active modes of grossular were calculated here for the first time, thanks to a recent implementation by some of the present authors that allow for accurate predictions of the Raman spectra of minerals. To the authors’ knowledge, there are no tabulated data sets for Raman intensities of grossular, although qualitative information can be extracted from the published spectra. This study can then be considered as an accurate reference data set for grossular, other than a clear evidence that quantum‐mechanical simulation is an actual tool to predict spectroscopic properties of minerals. Copyright © 2014 John Wiley & Sons, Ltd.
Elevated C‐reactive protein as a predictor of patient outcomes following palliative surgery
Authors: Blakely Andrew M. , Heffernan Daithi S. , McPhillips Jane , Cioffi William G. , Miner Thomas J. 
Published: June 2014

Background and ObjectivesOptimal surgical decision‐making and informed consent for palliative procedures is limited by a lack of appropriate outcomes data. Elevated C‐reactive protein (CRP) may help guide patient selection for palliative surgery.MethodsProcedures to palliate symptoms of advanced cancer were identified from a prospective palliative surgery database. Patients with a recorded preoperative serum CRP were identified and observed for at least 180 days or until death.ResultsFifty patients were identified who underwent an elective palliative procedure from July 2006 to June 2012. Presenting symptoms included gastrointestinal obstruction (40%), tumor‐related pain (38%) or bleeding (12%), and other (10%). Symptom improvement was documented for 37 patients (74%). Palliative procedures were associated with 30‐day postoperative morbidity (42%) and mortality (10%). CRP (range 1–144 mg/L, median 9.7 mg/L) was elevated in 27 patients (54%) and was independently associated with developing a major complication (P = 0.005) and decreased overall survival (166 vs. 659 days, P < 0.0001).ConclusionsPatients with advanced cancer can be afforded symptom improvement and the opportunity for improved quality of life following palliative procedures. Elevated preoperative CRP may help identify patients who are less likely to realize the benefits of palliative operations. J. Surg. Oncol. 2014 110:651–655. © 2014 Wiley Periodicals, Inc.
Primary non‐metastatic Ewing sarcoma of the jaw in children: Results of surgical resection and primary reconstruction
Authors: Qureshi Sajid S. , Kembhavi Seema , Bhagat Monica , Laskar Siddharth , Chinnaswamy Girish , Vora Tushar , Prasad Maya , Ramadwar Mukta , Desai Saral , Khanna Nehal , Kurkure Purna , Shah Sneha , Shankdhar Vinay , Yadav Prabha 
Published: June 2014

AbstractBackground and ObjectiveThe rarity of Ewing sarcoma (ES) of the jaw coupled with the technical challenge of resection and associated functional and cosmetic impairment has resulted in deficient data on surgical management of these tumors. The purpose of this study is to describe the results of surgical excision and reconstruction of primary non‐metastatic ES of the mandible and maxilla in children.MethodsConsecutive patients (mandible = 6, maxilla = 5) treated with surgery from August 2005 to January 2013 were selected. All patients received induction chemotherapy and were selected for surgical resection based on the presence of specific criteria for operability.ResultsThe median age was 11.5 years (range 5–16 years). Free fibular osteocutaneous flap was commonly used for reconstruction. There were no complications related to microvascular anastomosis or flap loss. Five patients had 100% tumor necrosis and did not receive radiotherapy. Teeth alignment, chewing, swallowing, and speech were normal in all and donor site morbidity occurred in one. The 5‐year overall, event‐free survival, and local control are 87.5%, 72.9%, and 90%, respectively.ConclusionIn eligible patients, surgery with contemporary reconstruction results in optimal oncological and functional outcome. Surgery also has the added advantage of identifying patients who may not need radiotherapy. J. Surg. Oncol. 2014 110:689–695. © 2014 Wiley Periodicals, Inc.
Percutaneous microwave ablation of stage I medically inoperable non‐small cell lung cancer: Clinical evaluation of 47 cases
Authors: Yang Xia , Ye Xin , Zheng Aimin , Huang Guanghui , Ni Xiang , Wang Jiao , Han Xiaoying , Li Wenhong , Wei Zhigang 
Published: June 2014

PurposeTo retrospectively evaluate safety and effectiveness of CT‐guided percutaneous microwave ablation (MWA) in 47 patients with medically inoperable stage I peripheral non‐small cell lung cancer (NSCLC).MethodsFrom February 2008 to October 2012, 47 patients with stage I medically inoperable NSCLC were treated in 47 MWA sessions. The clinical outcomes were evaluated. Complications after MWA were also summarized.ResultsAt a median follow‐up period of 30 months, the median time to the first recurrence was 45.5 months. The local control rates at 1, 3, 5 years after MWA were 96%, 64%, and 48%, respectively. The median cancer‐specific and median overall survivals were 47.4 and 33.8 months. The overall survival rates at 1, 2, 3, and 5 years after MWA were 89%, 63%, 43%, and 16%, respectively. Tumors ≤3.5 cm were associated with better survival than were tumors >3.5 cm. The complications after MWA included pneumothorax (63.8%), hemoptysis (31.9%), pleural effusion (34%), pulmonary infection (14.9%), and bronchopleural fistula (2.1%).ConclusionsMWA is safe and effective for the treatment of medically inoperable stage I peripheral NSCLC. J. Surg. Oncol. 2014 110:758–763. © 2014 Wiley Periodicals, Inc.
Rapid quantitative analysis of individual anthocyanin content based on high‐performance liquid chromatography with diode array detection with the pH differential method
Authors: Wang Huayin 
Published: June 2014

A new quantitative technique for the simultaneous quantification of the individual anthocyanins based on the pH differential method and high‐performance liquid chromatography with diode array detection is proposed in this paper. The six individual anthocyanins (cyanidin 3‐glucoside, cyanidin 3‐rutinoside, petunidin 3‐glucoside, petunidin 3‐rutinoside, and malvidin 3‐rutinoside) from mulberry (Morus rubra) and Liriope platyphylla were used for demonstration and validation. The elution of anthocyanins was performed using a C18 column with stepwise gradient elution and individual anthocyanins were identified by high‐performance liquid chromatography with tandem mass spectrometry. Based on the pH differential method, the high‐performance liquid chromatography peak areas of maximum and reference absorption wavelengths of anthocyanin extracts were conducted to quantify individual anthocyanins. The calibration curves for these anthocyanins were linear within the range of 10–5500 mg/L. The correlation coefficients (r2) all exceeded 0.9972, and the limits of detection were in the range of 1–4 mg/L at a signal‐to‐noise ratio ≥5 for these anthocyanins. The proposed quantitative analysis was reproducible with good accuracy of all individual anthocyanins ranging from 96.3 to 104.2% and relative recoveries were in the range 98.4–103.2%. The proposed technique is performed without anthocyanin standards and is a simple, rapid, accurate, and economical method to determine individual anthocyanin contents.
Photoresponsive Liquid‐Crystalline Dendrimers Based on a Cyclotriphosphazene Core
Authors: Jiménez Josefina , Pintre Inmaculada , Gascón Elena , Sánchez‐Somolinos Carlos , Alcalá Rafael , Cavero Emma , Serrano José Luis , Oriol Luis 
Published: June 2014

A series of new liquid‐crystalline dendrimers is synthesized from hexa(4‐hydroxyphenyloxy)­cyclotriphosphazene as the central core and bis(MPA) as a branching agent. The dendrimers are functionalized with azobenzene mesogenic moieties. The monodisperse nature of the dendrimers is confirmed by 1H and 31P{1H} NMR and by matrix assisted laser desorption/ionization (MALDI) mass spectrometry (MS). A study of the thermal properties reveals mesomorphic behavior. All of the materials exhibit a lamellar phase and this is confirmed to be smectic A in nature by X‐ray diffraction. A nematic phase is also observed for the dendrimers that contain 4‐cyanoazobenzene. A calamitic arrangement in which the mesogenic moieties point both upwards and downwards with respect to the cyclotriphosphazene core is proposed to explain the mesomorphic properties. The introduction of photochromic moieties leads to a photoresponse for these materials. The response to linearly polarized light is studied and an order parameter of about 0.5 is measured for dendrimer G1‐Azo‐3.
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A Modular Approach to Introduce Function into Single‐Chain Polymeric Nanoparticles
Authors: Huerta Elisa , van Genabeek Bas , Stals Patrick J. M. , Meijer E. W. , Palmans Anja R. A. 
Published: June 2014

Here, a modular approach is reported to introduce a specific function into single‐chain polymeric nanoparticles (SCPNs). Hereto, an amphiphilic polymer with pendant benzene‐1,3,5‐tricarboxamide (BTA) units is mixed with a “free” BTA that contains a functional group, either a fluorescent naphthalimide or a catalytically active l‐proline. Taking advantage of hydrophobic interactions and self‐recognition properties of the BTA units, the “free” BTAs are captured into the interior of the SCPN in water as evidenced by fluorescence studies. To illustrate that function can be readily introduced using a modular approach, l‐proline‐based BTAs are incorporated to procure a catalytically active SCPN in water. The aldol reaction between p‐nitrobenzaldehyde and cyclohexanone shows good conversions at low catalyst loadings and substrate concentrations, and high stereoselectivities are obtained (de = 91% and ee = 98%).
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Paroxysmal dyskinesias revisited: A review of 500 genetically proven cases and a new classification
Authors: Erro Roberto , Sheerin Una‐Marie , Bhatia Kailash P. 
Published: June 2014

AbstractParoxysmal movement disorders are a heterogeneous group of conditions manifesting as episodic dyskinesia with sudden onset and lasting a variable duration. Based on the difference of precipitating factors, three forms are clearly recognized, namely, paroxysmal kinesigenic (PKD), non‐kinesigenic (PNKD), and exercise induced (PED). The elucidation of the genetic cause of various forms of paroxysmal dyskinesia has led to better clinical definitions based on genotype–phenotype correlations in the familial forms. However, it has been increasingly recognized that (1) there is a marked pleiotropy of mutations in such genes with still expanding clinical spectra; and (2) not all patients clinically presenting with either PKD, PNKD, or PED have mutations in these genes. We aimed to review the clinical features of 500 genetically proven cases published to date. Based on our results, it is clear that there is not a complete phenotypic–genotypic correlation, and therefore we suggest an algorithm to lead the genetic analyses. Given the fact that the reliability of current clinical categorization is not entirely valid, we further propose a novel classification for paroxysmal dyskinesias, which takes into account the recent genetic discoveries in this field. © 2014 International Parkinson and Movement Disorder Society
Numerical simulation of liquefaction in porous media using nonlinear fluid flow law
Authors: Taslimian Ruhhollah , Noorzad Ali , Maleki Javan Mohammad Reza 
Published: June 2014

SummaryIt is well known that for a sufficiently high seepage velocity, the governing flow law of porous media is nonlinear (J. Computers & Fluids 2010; 39: 2069–2077). However, this fact has not been considered in the studies of soil‐pore fluid interaction and in conventional soil mechanics. In the present paper, a fully explicit dynamic finite element method is developed for nonlinear Darcy law. The governing equations are expressed for saturated porous media based on the extension of the Biot (J. Appl. Phys. 1941; 12: 155–164) formulation. The elastoplastic behavior of soil under earthquake loading is simulated using a generalized plasticity theory that is composed of a yield surface along with non‐associated flow rule. Numerical simulations of porous media subjected to horizontal and vertical components of ground motion excitations with different permeability coefficients are carried out; while computed maximum pore water pressure is specially taken into consideration to make the difference between Darcy and non‐Darcy flow regimes tangible. Finally, the effect of non‐Darcy flow on the evaluated liquefaction potential of sand in comparison to conventional Darcy law is examined. Copyright © 2014 John Wiley & Sons, Ltd.
Sonographic evaluation of the fetal conus medullaris
Authors: Rodriguez Mª Angeles , Prats Pilar , Muñoz Ana , Rodríguez Ignacio , Comas Carmina 
Published: June 2014

What is already known about this topic?By assessment of the position of the conus medullaris has the potential to allow prenatal diagnosis of closed spina bifidaThe optimal methodology to assess the position of the conus medullaris is presently unknown.What does this study add?The distance between the most caudal point of the conus medullaris and the last ventral ossification of the sacrum is reproducible and has the potential to aid for the prenatal diagnosis of closed spina bifida.
Cost‐utility analysis of daily versus intermittent inhaled corticosteroids in mild‐persistent asthma
Authors: Rodriguez‐Martinez Carlos E. , Nino Gustavo , Castro‐Rodriguez Jose A. 
Published: June 2014

SummaryIntroductionDespite the many benefits that have been demonstrated by the continuous administration of inhaled corticosteroids (ICS) in persistent asthma, a new strategy for mild‐asthma is emerging, consisting of using intermittent or as‐needed ICS treatment in conjunction with short‐acting beta2 agonists in response to symptoms. However, no previous studies have reported an economic evaluation comparing these two therapeutic strategies.MethodsA Markov‐type model was developed in order to estimate costs and health outcomes of a simulated cohort of pediatric patients with persistent asthma treated over a 12‐month period. Effectiveness parameters were obtained from a systematic review of the literature. Cost data were obtained from official databases provided by the Colombian Ministry of Health. The main outcome was the variable “quality‐adjusted life‐years” (QALYs).ResultsFor the base‐case analysis, the model showed that compared to intermittent ICS, daily therapy with ICS had lower costs (US$437.02 vs. 585.03 and US$704.62 vs. 749.81 average cost per patient over 12 months for school children and preschoolers, respectively), and the greatest gain in QALYs (0.9629 vs. 0.9392 QALYs and 0.9238 vs. 0.9130 QALYS for school children and preschoolers, respectively), resulting in daily therapy being considered dominant.ConclusionsThe present analysis shows that compared to intermittent therapy, daily therapy with ICS for treating pediatric patients with recurrent wheezing and mild persistent asthma is a dominant strategy (more cost effective), because it showed a greater gain in QALYs with lower total treatment costs.Pediatr Pulmonol. 2015; 50:735–746.© 2014 Wiley Periodicals, Inc.
Flameless Combustion Synthesis of Ni and Ag Nanoparticles in Ballasted Systems: A Time‐Resolved X‐ray Diffraction Study
Authors: Mikhailov Yurii M. , Aleshin Victor V. , Kolesnikova Alexandra M. , Kovalev Dmitrii Yu. , Ponomarev Vasilii. I. 
Published: June 2014

AbstractThe combustion of cellulose nitrate in ballasted mixtures containing an organic binder and nickel hydroxycarbonate or silver carbonate as precursors resulted Ni or Ag nanoparticles. The formation of Ni and Ag nanoparticles from flameless combustion of cellulose nitrate was monitored by time‐resolved X‐ray diffraction. During the formation of the Ag nanoparticles, the diffraction patterns exhibited only signals from decreasing amounts of the precursor and newly simultaneously formed 20–30 nm silver particles. It was detected that in the systems with Ni precursor the formation of the Ni 5–10 nm crystals proceeded by some 2–3 s diffraction‐silent intermediate states of the whole system.
An osmolyte mitigates the destabilizing effect of protein crowding
Authors: Sarkar Mohona , Pielak Gary J. 
Published: June 2014

AbstractMost theories predict that macromolecular crowding stabilizes globular proteins, but recent studies show that weak attractive interactions can result in crowding‐induced destabilization. Osmolytes are ubiquitous in biology and help protect cells against stress. Given that dehydration stress adds to the crowded nature of the cytoplasm, we speculated that cells might use osmolytes to overcome the destabilization caused by the increased weak interactions that accompany desiccation. We used NMR‐detected amide proton exchange experiments to measure the stability of the test protein chymotrypsin inhibitor 2 under physiologically relevant crowded conditions in the presence and absence of the osmolyte glycine betaine. The osmolyte overcame the destabilizing effect of the cytosol. This result provides a physiologically relevant explanation for the accumulation of osmolytes by dehydration‐stressed cells.
A note on approximating ABC‐MCMC using flexible classifiers
Authors: Pham Kim Cuc , Nott David J. , Chaudhuri Sanjay 
Published: June 2014

AbstractA method for approximating Markov chain Monte Carlo algorithms is considered in the setting where the likelihood is intractable. The approach is based on interpreting the likelihood ratio in the Metropolis–Hastings acceptance probability as the odds in the Bayes classification rule for distinguishing whether the observed data were generated using the proposal parameter value or the current one. Approximating the Bayes rule using simulated data from the model and modern flexible classifiers capable of dealing with high‐dimensional feature vectors results in new approximate Bayesian computation procedures that are able to perform well with high‐dimensional summary statistics. In problems of small to moderate size, it may even be possible to dispense with summary statistics altogether. The synthetic likelihood of Wood corresponds to classification by quadratic discriminant analysis in this framework. Copyright © 2014 John Wiley & Sons, Ltd.
Xist Repression Shows Time-Dependent Effects on the Reprogramming of Female Somatic Cells to Induced Pluripotent Stem Cells
Authors: Chen Qi , Gao Shuai , He Wenteng , Kou Xiaochen , Zhao Yanhong , Wang Hong , Gao Shaorong 
Published: June 2014

Abstract
Although the reactivation of silenced X chromosomes has been observed as part of the process of reprogramming female somatic cells into induced pluripotent stem cells (iPSCs), it remains unknown whether repression of the X-inactive specific transcript (Xist) can greatly enhance female iPSC induction similar to that observed in somatic cell nuclear transfer studies. In this study, we discovered that the repression of Xist plays opposite roles in the early and late phases of female iPSCs induction. Our results demonstrate that the downregulation of Xist by an isopropyl β-d-1-thiogalactopyranoside (IPTG)-inducible short hairpin RNA (shRNA) system can greatly impair the mesenchymal-to-epithelial transition (MET) in the early phase of iPSC induction but can significantly promote the transition of pre-iPSCs to iPSCs in the late phase. Furthermore, we demonstrate that although the knockdown of Xist did not affect the H3K27me3 modification on the X chromosome, macroH2A was released from the inactivated X chromosome (Xi). This enables the X chromosome silencing to be a reversible event. Moreover, we demonstrate that the supplementation of vitamin C (Vc) can augment and stabilize the reversible X chromosome by preventing the relocalization of macroH2A to the Xi. Therefore, our study reveals an opposite role of Xist repression in the early and late stages of reprogramming female somatic cells to pluripotency and demonstrates that the release of macroH2A by Xist repression enables the transition from pre-iPSCs to iPSCs. Stem Cells 2014;32:2642–2656
Electrification and rural development: issues of scale in distributed generation
Authors: Baldwin Elizabeth , Brass Jennifer N. , Carley Sanya , MacLean Lauren M. 
Published: June 2014

Despite the importance of electrification for economic and social development, over one billion people globally lack access to electricity, primarily in rural areas of developing countries. Alongside the traditional means of expanding access, large‐scale grid electrification, there exists another option for rural electrification: small‐scale and localized distributed generation (DG), often powered by renewable energy sources.DGsystems can be grid‐connected or off‐grid and can range in scale from less than 10 W solar lanterns at the small end to 60 MW biomass generation. AlthoughDGhas enabled some level of access to electricity for millions of people, little or no research has analyzed how the scale or level of access to electricity has shaped the ways that programs are financed or are viewed by governments, or the developmental impacts that various levels have on end‐users. This article reviews the literature on DG in developing countries and finds that large‐scaleDGsystems require a different set of approaches to finance, end‐user training, and public policy support than do small‐scaleDGsystems. Our review also reveals that even the smallest scaleDGsystems improve users' quality of life, yet access to electricity alone is not sufficient to achieve desired economic and social development goals. Policy makers, donors, non‐governmental organizations (NGOs), and other actors engaged in rural development must both (1) make decisions considering the scale ofDGprograms, and (2) reflect on end‐users' needs and productive uses for electricity if rural electrification projects are to result in long‐term development benefits.WIREs Energy Environ2015, 4:196–211. doi: 10.1002/wene.129This article is categorized under:Energy Policy and Planning > Economics and Policy