bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dose‐escalated radiation therapy is associated with better overall survival in patients with bone metastases from solid tumors: a propensity score‐matched study
Authors: Chou Yung‐Chih , Lin Chien‐Yu , Pai Ping‐Ching , Tseng Chen‐Kan , Hsieh Cheng‐En , Chang Kai‐Ping , Hsu Cheng‐Lung , Liao Chun‐Ta , Wang Chun‐Chieh , Chin Shy‐Chyi , Yen Tzu‐Chen , Ho Tsung‐Ying , Hong Ji‐Hong , Lei Kin‐Fong , Chang Joseph Tung‐Chieh , Tsang Ngan‐Ming 
Published: August 2017

AbstractWe aimed to compare the overall survival (OS) of patients with bone metastases (BM) from solid tumors after standard‐dose radiotherapy ([RT]; 30 Gy administered in 10 fractions; EQD2Gy = 32.5 Gy) and dose‐escalated RT (EQD2Gy > 32.5 Gy). We retrospectively reviewed the clinical charts of 1795 patients (median age, 62.3 years; age range, 18–96 years) with BM from solid tumors who were referred for RT to our institute between 2000 and 2013. These patients were assigned to the standard‐dose (n = 1125; 63%) and dose‐escalated (n = 670; 37%) RT groups. OS, estimated as the duration between the first RT session and death, served as the main outcome measure. The dose‐escalated RT group had a significantly better OS than the standard‐dose RT group (P = 0.000). After allowing potential confounders in multivariate analysis, the RT dose retained its independent association with OS (hazard ratio [HR], 0.837; 95% confidence interval [CI], 0.753–0.929, P = 0.001). After propensity score matching of the baseline characteristics of both groups, RT dose retained its independent association with OS (HR, 0.887; 95% CI, 0.737–0.951; P = 0.011) on multivariate analysis. Dose‐escalated RT exerted more favorable effects on OS in patients with non‐lung cancer, those without multiple metastases, those without symptoms, and those with favorable prognosis. Dose‐escalated RT was significantly associated with better OS in patients with BM from solid malignancies, particularly among those with non‐lung cancer, those without multiple metastases, those without symptoms, and those with favorable prognosis.
Profiling Protein S‐Sulfination with Maleimide‐Linked Probes
Authors: Kuo Yu‐Hsuan , Konopko Aaron M. , Borotto Nicholas B. , Majmudar Jaimeen D. , Haynes Sarah E. , Martin Brent R. 
Published: August 2017

AbstractCysteine residues are susceptible to oxidation to form S‐sulfinyl (R‐SO2H) and S‐sulfonyl (R‐SO3H) post‐translational modifications. Here we present a simple bioconjugation strategy to label S‐sulfinated proteins by using reporter‐linked maleimides. After alkylation of free thiols with iodoacetamide, S‐sulfinated cysteines react with maleimide to form a sulfone Michael adduct that remains stable under acidic conditions. Using this sequential alkylation strategy, we demonstrate differential S‐sulfination across mouse tissue homogenates, as well as enhanced S‐sulfination following pharmacological induction of endoplasmic reticulum stress, lipopolysaccharide stimulation, and inhibitors of the electron transport chain. Overall, this study reveals a broadened profile of maleimide reactivity across cysteine modifications, and outlines a simple method for profiling the physiological role of cysteine S‐sulfination in disease.
Resuscitative endovascular balloon occlusion of the aorta as an adjunct for hemorrhagic shock due to uterine rupture: a case report
Authors: Okada Asami , Nakamoto Osamu , Komori Maya , Arimoto Hideki , Rinka Hiroshi , Nakamura Hiroaki 
Published: August 2017

Key Clinical MessageResuscitative endovascular balloon occlusion of the aorta (REBOA) is a life‐saving procedure used to control bleeding and maintain blood pressure temporarily in traumatic hemorrhagic shock. Uterine rupture and placenta accreta provoke uncontrollable massive hemorrhaging. REBOA may be useful for hemodynamic stabilization to prevent cardiac arrest in high‐risk pregnancy.
Synthesis of Ladder Polymers: Developments, Challenges, and Opportunities
Authors: Teo Yew Chin , Lai Holden W. H. , Xia Yan 
Published: August 2017

AbstractLadder polymers are unique in that their backbones consist of fused rings with adjacent rings having two or more atoms in common. The restriction of bond rotations in rigid ladder polymers greatly limits their conformational freedom, leading to many intriguing and unique properties. As a non‐traditional type of polymers, rigid ladder polymers are of great fundamental interest and technical importance as advanced materials for applications such as membrane gas separation and organic electronics. Ladder polymers can be divided into non‐conjugated (with kinked conformations) and conjugated (with planar conformations) structures. Their synthesis can be broadly classified into two general strategies: direct ladder polymerization, and zipping of a linear precursor polymer. This Concept article outlines the historical development of ladder polymers and the chemical strategies used for their synthesis; highlights the challenges associated with their synthesis and characterization, and presents opportunities and outlooks for this unique and intriguing type of polymers.
Simultaneous Degradation and Removal of CrVI from Aqueous Solution with Zr‐Based Metal–Organic Frameworks Bearing Inherent Reductive Sites
Authors: Wang Zhe , Yang Jian , Li Yongsheng , Zhuang Qixin , Gu Jinlou 
Published: August 2017

AbstractGiven the serious harm of CrVI to human health, development of efficient techniques for its degradation and subsequent in situ adsorptive removal is highly desirable. Herein, UiO‐66 type metal–organic frameworks (MOFs) integrated with various hydroxyl groups (UiO‐66, UiO‐66‐OH, and UiO‐66‐(OH)2) were successfully explored for the efficient decontamination of CrVI from aqueous solution. The abundant hydroxyl groups in organic ligands not only served as reductive sites for the degradation of CrVI to less toxic CrIII but also acted as inherent anchorages for the efficient capture of CrIII. Thanks to their inherent hydroxyl groups and high porosity, UiO‐66‐(OH)2 presented almost complete removal of Cr species in simulated industrial wastewater. The total Cr content could be reduced from 5 ppm to 48 ppb under optimized adsorption conditions, which is much lower than the limits of total Cr in drinking water established by the US Environmental Protection Agency (EPA). These outstanding CrVI decontamination features, combined with the exceptional chemical stability as well as high porosity prefigured the great potentials of the current adsorbents for the remediation of real‐world CrVI‐containing industrial wastewater.
Multiple Electronic and Structural Factors Control Cyclobutane Pyrimidine Dimer and 6–4 Thymine–Thymine Photodimerization in a DNA Duplex
Authors: Conti Irene , Martínez‐Fernández Lara , Esposito Luciana , Hofinger Siegfried , Nenov Artur , Garavelli Marco , Improta Roberto 
Published: August 2017

AbstractThe T–T photodimerization paths leading to the formation of cyclobutane pyrimidine dimer (CPD) and 6–4 pyrimidine pyrimidone (64‐PP), the two main DNA photolesions, have been resolved for a T–T step in a DNA duplex by two complementary state‐of‐the‐art quantum mechanical approaches: QM(CASPT2//CASSCF)/MM and TD‐DFT/PCM. Based on the analysis of several different representative structures, we define a new‐ensemble of cooperating geometrical and electronic factors (besides the distance between the reacting bonds) ruling T–T photodimerization in DNA. CPD is formed by a barrierless path on an exciton state delocalized over the two bases. Large interbase stacking and shift values, together with a small pseudorotation phase angle for T at the 3′‐end, favor this reaction. The oxetane intermediate, leading to a 64‐PP adduct, is formed on a singlet T→T charge‐transfer state and is favored by a large interbase angle and slide values. A small energy barrier (<0.3 eV) is associated to this path, likely contributing to the smaller quantum yield observed for this process. Eventually, a clear directionality is always shown by the electronic excitation characterizing the singlet photoactive state driving the photodimerization process: an exciton that is more localized on T3 and a 5′‐T→3′‐T charge transfer for CPD and oxetane formation, respectively, thus calling for specific electronic constraints.
Estimation of optical rotation of γ‐alkylidenebutenolide, cyclopropylamine, cyclopropyl‐methanol and cyclopropenone based compounds by a Density Functional Theory (DFT) approach
Authors: Shahzadi Iram , Shaukat Aqsa , Zara Zeenat , Irfan Muhammad , Eliasson Bertil , Ayub Khurshid , Iqbal Javed 
Published: August 2017

AbstractComputing the optical rotation of organic molecules can be a real challenge, and various theoretical approaches have been developed in this regard. A benchmark study of optical rotation of various classes of compounds was carried out by Density Functional Theory (DFT) methods. The aim of the present research study was to find out the best‐suited functional and basis set to estimate the optical rotations of selected compounds with respect to experimental literature values. Six DFT functional LSDA, BVP86, CAM‐B3LYP, B3PW91, and PBE were applied on 22 different compounds. Furthermore, six different basis sets, i.e., 3‐21G, 6‐31G, aug‐cc‐pVDZ, aug‐cc‐pVTZ, DGDZVP, and DGDZVP2 were also applied with the best‐suited functional B3LYP. After rigorous effort, it can be safely said that the best combination of functional and basis set is B3LYP/aug‐cc‐pVTZ for the estimation of optical rotation for selected compounds.
Crowders and Cosolvents—Major Contributors to the Cellular Milieu and Efficient Means to Counteract Environmental Stresses
Authors: Gao Mimi , Held Christoph , Patra Satyajit , Arns Loana , Sadowski Gabriele , Winter Roland 
Published: August 2017

AbstractThe free energy and conformational landscape of biomolecular systems as well as biochemical reactions depend not only on temperature and pressure, but also on the particular solution conditions. Such conditions include the effects of cosolvents (for example osmolytes) and macromolecular crowding, which are crucial components to understand the energetics and kinetics of biological processes in living system. Such conditions are also important for the understanding of many debilitating diseases, such as those where misfolding and amyloid formation of proteins are involved. Moreover, understanding their effects on biomolecular processes is prerequisite for designing industrially relevant enzymatic reactions, which seldom take place under neat conditions. Here, we review and discuss experimental and theoretical studies on the characterization of cosolvent and crowding induced effects in biologically relevant systems, approaching even the complexity of living organisms. In particular, we focus on cosolvent and crowding effects on the conformational equilibrium and folding kinetics of proteins and nucleic acids as well as on enzymatic reactions, including their effects on the temperature and pressure dependence of these processes. By presenting a few representative examples, we show how such effects are unveiled and described in thermodynamic and kinetic terms.
Upconversion‐Nanoparticle‐Assisted Radical Polymerization at λ=974 nm and the Generation of Acidic Cations
Authors: Chen Zhijun , Oprych Dennis , Xie Chaoming , Kutahya Ceren , Wu Si , Strehmel Bernd 
Published: August 2017

AbstractUpconversion nanoparticles (UCNPs) sensitised photolytic cleavage of the blue/UV photoinitiator bis(4‐methoxybenzoyl) diethyl germanium (1). 1 initiated radical photopolymerisation in combination with NaYF4:TmYb@NaYF4 UCNPs. A λ=974 nm near‐infrared (NIR) laser served as the excitation source to generate blue and UV light. In addition, a metal‐free photo‐ATRP system (ATRP=atom transfer radical polymerisation), composed of iso‐propyl thioxanthone (ITX), N,N,N′,N′′,N′′‐pentamethyldiethylenetriamine (PMDETA) and α‐bromo(iso‐butyl) ethylester (α‐BrBuEt) was used instead of 1. This resulted in a significant smaller polydispersity compared to the UCNP/1 system. Control of polymerization was successfully demonstrated by means of a chain extension experiment showing control of chain termination. For the first time, we demonstrated photolytic formation of acidic cations in such NIR UCNP systems composed of an ITX/iodonium photoinitiator for the sensitized generation of acidic cations. In addition, 1 also resulted in crosslinking of 1,6‐hexanediol diacrylate (HDDA) in combination with UCNPs and NIR laser excitation. UV filter materials such as TiO2 do not significantly interfere with crosslinking.
Policy Stability in Climate Governance: The case of the United Kingdom
Authors: Rietig Katharina , Laing Timothy 
Published: August 2017

Abstract‘Super‐wicked’ problems such as climate change require ambitious policies within stable policy frameworks. Key for policy stability is to disincentivise future reversals to carbon‐intensive lifestyles resulting in unstoppable climate change. It requires lock‐in to a low‐carbon development trajectory, requires increasing popular support, and needs to be self‐reinforcing, with reversal costs rising over time as benefits increase. In parliamentary political systems (e.g. the UK), policies emerge more easily but are more difficult to maintain given that shifting political majorities can result in policy U‐turns, resulting in uncertainties for investment in low‐carbon transitions. We examine what factors determine policy stability in UK climate change policy that aims to reduce CO2 emissions by 85–90 per cent by 2050. Policy stability depends on favourable public opinion and the political system. In the case of parliamentary democracies the extent to which policy is embedded into a multilevel governance institutional framework and political cross‐party consensus is particularly important for stability. Copyright © 2017 John Wiley & Sons, Ltd and ERP Environment
Sources of uncertainty in the NRCS CN model: Recognition and solutions
Authors: Durán‐Barroso Pablo , González Javier , Valdés Juan B. 
Published: August 2017

AbstractThe Natural Resources Conservation Service Curve Number model is one of the most recognizable procedures in the field of rainfall–run‐off estimation. It has been widely applied for different purposes in hydrological models. In spite of its widespread use, some uncertainties have not even clarified and must be examined for its proper application. Particularly, choosing the most representative rainfall–run‐off events, and the coefficient λ that relates the parameters of the model (curve number CN and initial abstraction Ia). In this research, an advanced analysis is developed to evaluate the influence of λ for a set of representative watersheds of the Agricultural Research Service of the United Stated Department of Agriculture. They are characterized by different soil properties, land uses, and climatic conditions. Finally, 2 novel methodologies for the selection of the most representative rainfall–run‐off events and for the adaptation of coefficient λ are included, based on the pattern of rainfall distribution.
Service quality, satisfaction, and customer loyalty in Airbnb accommodation in Thailand
Authors: Priporas Constantinos‐Vasilios , Stylos Nikolaos , Vedanthachari Lakshmi Narasimhan , Santiwatana Pruit 
Published: August 2017

AbstractThis paper investigates service quality, customer satisfaction, and loyalty in Airbnb accommodation. A self‐administered questionnaire was distributed to a nonprobability sample of 202 international tourists in Phuket, Thailand, which is one of the top tourist destinations worldwide. The results verify that a positive relationship among service quality, customer satisfaction, and loyalty exists and that satisfaction partially mediates the relationship between service quality and loyalty. Furthermore, the paper suggests key steps managers could take to enhance customer experience in a way that would benefit the lodging industry and the destinations.
Pediatric healthcare costs for patients with 22q11.2 deletion syndrome
Authors: Benn Peter , Iyengar Sushma , Crowley Terrence Blaine , Zackai Elaine H. , Burrows Evanette K. , Moshkevich Solomon , McDonald‐McGinn Donna M. , Sullivan Kathleen E. , Demko Zachary 
Published: August 2017

AbstractBackgroundThe 22q11.2 deletion syndrome is a variably expressed disorder that can include cardiac, palate, and other physical abnormalities, immunodeficiency, and hypocalcemia. Because of the extreme variability in phenotype, there has been no available estimate of the total medical expenditure associated with the average case.MethodsWe have developed a model to estimate the cost from the time of diagnosis to age 20. Costs were based on patients seen at a specialty center but also considered those components of care expected to have been provided by external healthcare facilities. Expense was based on billed medical charges extracted from the electronic medical billing system for all patients with a diagnosis of DiGeorge or velocardiofacial syndrome from 1993–2015. Expenditures included maternal prenatal care directly related to an affected pregnancy, molecular/cytogenetic diagnosis, consultations, surgery, and/or other treatment and management. Most mental health services (except inpatient), therapy related to cognitive, behavioral, speech, pharmacy, and nonmedical costs (special education, vocational, respite, lost earnings) were not included.ResultsData were available for 642 patients with 50.7% diagnosed prenatally or in the first year of life. The average cost for a patient was $727,178. Costs were highest for patients ascertained prenatally ($2,599,955) or in the first year of life ($1,043,096), those with cardiac abnormalities or referred for cardiac evaluation ($751,535), and patients with low T‐cell counts ($1,382,222).ConclusionThis study demonstrates that there are significant medical costs associated with 22q11.2 deletion syndrome.
Registration free automatic identification of gold fiducial markers in MRI target delineation images for prostate radiotherapy
Authors: Gustafsson Christian , Korhonen Juha , Persson Emilia , Gunnlaugsson Adalsteinn , Nyholm Tufve , Olsson Lars E. 
Published: August 2017

PurposeThe superior soft tissue contrast of magnetic resonance imaging (MRI) compared to computed tomography (CT) has urged the integration of MRI and elimination of CT in radiotherapy treatment (RT) for prostate. An intraprostatic gold fiducial marker (GFM) appears hyperintense on CT. On T2‐weighted (T2w) MRI target delineation images, the GFM appear as a small signal void similar to calcifications and post biopsy fibrosis. It can therefore be difficult to identify the markers without CT. Detectability of GFMs can be improved using additional MR images, which are manually registered to target delineation images. This task requires manual labor, and is associated with interoperator differences and image registration errors. The aim of this work was to develop and evaluate an automatic method for identification of GFMs directly in the target delineation images without the need for image registration.MethodsT2w images, intended for target delineation, and multiecho gradient echo (MEGRE) images intended for GFM identification, were acquired for prostate cancer patients. Signal voids in the target delineation images were identified as GFM candidates. The GFM appeared as round, symmetric, signal void with increasing area for increasing echo time in the MEGRE images. These image features were exploited for automatic identification of GFMs in a MATLAB model using a patient training dataset (n = 20). The model was validated on an independent patient dataset (n = 40). The distances between the identified GFM in the target delineation images and the GFM in CT images were measured. A human observatory study was conducted to validate the use of MEGRE images.ResultsThe sensitivity, specificity, and accuracy of the automatic method and the observatory study was 84%, 74%, 81% and 98%, 94%, 97%, respectively. The mean absolute difference in the GFM distances for the automatic method and observatory study was 1.28 ± 1.25 mm and 1.14 ± 1.06 mm, respectively.ConclusionsMultiecho gradient echo images were shown to be a feasible and reliable way to perform GFM identification. For clinical practice, visual inspection of the results from the automatic method is needed at the current stage.
Coupled hydromechanical‐fracture simulations of nonplanar three‐dimensional hydraulic fracture propagation
Authors: Gupta P. , Duarte C. A. 
Published: August 2017

SummaryThis paper presents an algorithm and a fully coupled hydromechanical‐fracture formulation for the simulation of three‐dimensional nonplanar hydraulic fracture propagation. The propagation algorithm automatically estimates the magnitude of time steps such that a regularized form of Irwin's criterion is satisfied along the predicted 3‐D fracture front at every fracture propagation step.A generalized finite element method is used for the discretization of elasticity equations governing the deformation of the rock, and a finite element method is adopted for the solution of the fluid flow equation on the basis of Poiseuille's cubic law. Adaptive mesh refinement is used for discretization error control, leading to significantly fewer degrees of freedom than available nonadaptive methods. An efficient computational scheme to handle nonlinear time‐dependent problems with adaptive mesh refinement is presented. Explicit fracture surface representations are used to avoid mapping of 3‐D solutions between generalized finite element method meshes. Examples demonstrating the accuracy, robustness, and computational efficiency of the proposed formulation, regularized Irwin's criterion, and propagation algorithm are presented.
Complex malformations involving the fetal body wall – definition and classification issues
Authors: Bijok Julia , Massalska Diana , Kucińska‐Chahwan Anna , Posiewka Anna , Ilnicka Alicja , Jakiel Grzegorz , Roszkowski Tomasz 
Published: August 2017

AbstractObjectiveThe objective of the study is to analyse the sonographic features, cytogenetic results and pregnancy outcomes in complex malformations involving the body wall in a large cohort of fetuses with regard to different definitions proposed in the literature.MethodA retrospective study on 96 fetuses with complex malformations comprising ventral wall, craniofacial structures, limbs and umbilical cord that were evaluated between 1997 and 2015.ResultsThe most common sonographic finding was an extensive ventral wall defect (95.8%; 92/96) comprising liver (94.6%; 87/92), intestine (82.6%; 76/92), heart (17.4%; 16/92) and bladder (8.7%; 8/92). Acrania and encephalocoele were observed in 24 and 9 fetuses (25.0%, 24/96; 9.4%, 9/96), respectively. Limb anomalies were present in 54 fetuses (56.3%; 54/96). Rudimentary or absent umbilical cord was observed in 62 fetuses (64.6%; 62/96). In 79 fetuses, there were additional multiple structural anomalies detected prenatally. None of the currently used definitions encompasses all possible phenotypes of body wall defects present in our cohort. Chromosomal aberrations were seen in 8 out of 60 cases with conclusive cytogenetic result (13.3%, 8/60).ConclusionChromosomal anomalies are common, and karyotyping should be offered. There is a need for a more rigorous classification of complex malformations in order to better understand the underlying pathophysiology. © 2017 John Wiley & Sons, Ltd.