bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comorbid persistent lower respiratory symptoms and posttraumatic stress disorder 5–6 years post‐9/11 in responders enrolled in the World Trade Center Health Registry
Authors: Friedman Stephen M. , Farfel Mark R. , Maslow Carey B. , Cone James E. , Brackbill Robert M. , Stellman Steven D. 
Published: June 2013

AbstractBackgroundCo‐occurrence of lower respiratory symptoms (LRS) and posttraumatic stress disorder (PTSD) has been increasingly recognized among responders and survivors of the World Trade Center (WTC) disaster. Information is limited on the degree which comorbidity intensifies symptoms and compromises quality of life across exposed groups.MethodsAmong responders who completed the first and second Registry surveys, measures of respiratory illness, psychological distress, and diminished quality of life were compared between responders comorbid for LRS and PTSD and responders with only LRS or PTSD.ResultsOf 14,388 responders, 40% of those with LRS and 57% of those with PTSD were comorbid. When demographic and WTC exposure‐related factors were controlled, comorbid responders compared to those with LRS alone were twice as likely to have frequent dyspnea and to have sought care for dyspnea. Compared to responders with PTSD alone, comorbid responders were 2.1 times more likely to report intense re‐experiencing of the disaster, 2.5 times more likely to express feelings of significant non‐specific psychological distress, and 1.4 times more likely to have received mental health care. Comorbid responders were approximately three times more likely to report only fair or poor general health and more than twice as likely to report being unable to perform usual activities for ≥14 of 30 days before interview.ConclusionsOutcomes in comorbid responders were similar to or more severe than in comorbid survivors. Health care and disaster relief providers must suspect comorbid illness when evaluating responders' respiratory or mental illnesses and consider treatment for both. Am. J. Ind. Med. 56:1251–1261, 2013. © 2013 Wiley Periodicals, Inc.
Subcontractors and increased risk for work‐related diseases and absenteeism
Authors: Min Kyoung B. , Park Shin G. , Song Jae S. , Yi Kwan H. , Jang Tae W. , Min Jin Y. 
Published: June 2013

AbstractBackgroundDespite increasing reliance on subcontracting in many economic sectors, there is little information available on occupational health and safety issues among subcontractor employees. The purpose of this study was to investigate the effect of subcontracting on self‐reported health problems and absences due to occupational accidents and sickness using a nationally representative sample from South Korea.MethodsThe data used were sampled from the second wave of the Korean Working Conditions Survey [2010]. Information on 3,282 parent firm employees and 728 subcontractor employees was obtained. For the logistic regression model, the outcomes were work‐related health problems and absenteeism. The independent variables were personal and occupational characteristics, job aspects, and working hazards.ResultsSubcontractor employees were significantly more likely to experience health problems than the employee at parent firms. In particular, subcontractors' risk of injuries and anxiety/depression increased twofold (odd ratios, OR = 2.01, 95% confidence interval, CIs, 1.24–3.26) and threefold (OR = 2.95, 95% CIs 1.52–5.73), respectively, after controlling for potential variables. In addition, subcontractor employees were three times more likely than employees at parent firms to miss work due to illness (OR = 3.56; 95% CIs 2.02–6.26). Working conditions, especially those related to job aspects and workplace exposures, attenuated these risks.ConclusionSubcontracting workers were found to have a higher risk of work‐related diseases and a higher absenteeism rate than parent firm workers. Our study highlights the need to protect and improve the occupational health and safety of subcontractor employees. Am. J. Ind. Med. 56:1296–1306, 2013. © 2013 Wiley Periodicals, Inc.
Elementary flux modes in a nutshell: Properties, calculation and applications
Authors: Zanghellini Jürgen , Ruckerbauer David E. , Hanscho Michael , Jungreuthmayer Christian 
Published: June 2013

AbstractElementary flux mode (EFM) analysis allows the unbiased decomposition of a metabolic network into minimal functional units, making it a powerful tool for metabolic engineering. While the use of EFM analysis (EFMA) is still limited by the size of the models it can handle, EFMA has been successfully applied to solve real‐world metabolic engineering problems. Here we provide a user‐oriented introduction to EFMA, provide examples of recent applications, analyze current research strategies to overcome the computational restrictions and give an overview over current approaches, which aim to identify and calculate only biologically relevant EFMs.
Metabolic signatures of GS‐CHO cell clones associated with butyrate treatment and culture phase transition
Authors: Carinhas Nuno , Duarte Tiago M. , Barreiro Laura C. , Carrondo Manuel J. T. , Alves Paula M. , Teixeira Ana P. 
Published: June 2013

ABSTRACTChinese hamster ovary (CHO) cells are preferred hosts for the production of recombinant biopharmaceuticals. Efforts to optimize these bioprocesses have largely relied on empirical experience and our knowledge of cellular behavior in culture is incomplete. More recently, comprehensive investigations of metabolic network operation have started to be used to uncover traits associated with optimal growth and recombinant protein production. In this work, we used 1H‐nuclear magnetic resonance (1H‐NMR) to analyze the supernatants of glutamine‐synthetase (GS)‐CHO cell clones expressing variable amounts of an IgG4 under control and butyrate‐treated conditions. Exometabolomic data revealed accumulation of several metabolic by‐products, indicating inefficiencies at different metabolic nodes. These data were contextualized in a detailed network and the cellular fluxomes estimated through metabolic flux analysis. This approach allowed comparing metabolic activity across different clones, growth phases and culture conditions, in particular the efficiency pertaining to carbon lost to glycerol and lactate accumulation and the characteristic nitrogen metabolism involving high asparagine and serine uptake rates. Importantly, this study shows that early butyrate treatment has a marked effect on sustaining high nutrient consumption along culture time, being more pronounced during the stationary phase when extra energy generation and biosynthetic activity is fueled to increase IgG formation. Collectively, the information generated contributes to deepening our understanding of CHO cells metabolism in culture, facilitating future design of improved bioprocesses. Biotechnol. Bioeng. 2013;110: 3244–3257. © 2013 Wiley Periodicals, Inc.
Cell fate conversion by conditionally switching the signal‐transducing domain of signalobodies
Authors: Tone Yuichiro , Kawahara Masahiro , Hayashi Jun , Nagamune Teruyuki 
Published: June 2013

ABSTRACTConditionally and strictly controlling cell fates is important for biomedical applications including cell therapies. Although previous studies have been based on regulating the expression or activation of signaling molecules, the techniques therein require improvement in terms of reducing leakiness and complexity. In this study, we propose a novel cell fate converting system using our previously developed antibody/receptor chimeras named “signalobodies” in combination with a Cre/loxP recombination system. We designed a “switch vector” where a growth signalobody gene was flanked by two loxP sites and a death signalobody gene was placed downstream of the floxed cassette. Cells transduced with the switch vector showed superior growth activity in the presence of a specific antigen. Subsequent expression of Cre induced the death signalobody, leading to conditional cell death. This technology could be applicable for other cell fate conversion systems including differentiation and migration, by using appropriate signal‐transducing domains. Biotechnol. Bioeng. 2013;110: 3219–3226. © 2013 Wiley Periodicals, Inc.
Health informatics: Introduction
Authors: Dalrymple Prudence 
Published: June 2013

AbstractEditor's SummaryThis special section explores informatics in the health arena through a collection of illustrative examples. The evolution of controlled vocabularies customized for nursing is described, with appreciation of the importance of nurses' notes in patient records for later retrieval and analysis. The specialized field of public health informatics is presented, offering valuable perspectives and applications geared to serve entire populations rather than individual patients. DOME, an e‐health project in Sweden, explores the effects of patients' access to their own medical records, looking at the pros, cons and implications of online availability of personal health data. Approaching pharmaceutical development as a big data challenge complemented by electronic visualization is shown to facilitate analysis of the complex interplay of numerous variables. Last, a demonstration of information technology applied to emergency healthcare simulation shows how a proposed new technology can be tried out without expensive and time‐consuming prototypes.
Public health informatics: An invitation to the field
Authors: White Mary 
Published: June 2013

AbstractEditor's SummaryAs we strive to manage health challenges on a population level, the demand for specialists in public health informatics is growing. The specialty differs from medical and nursing informatics by its focus on broad public health goals, policy and prevention rather than individual patient treatment. The information science component highlights topics such as information exchange, disease registries and privacy and plays a key role in healthcare reform efforts. The range of opportunities is wide, from epidemiology with an information science bent to developing web portals and smartphone apps. For information specialists interested in applying public health issues in their work or pursuing public health informatics, a variety of educational opportunities are available, ranging from webinars and single courses through post‐doctoral fellowships, sponsored by the Public Health Informatics Institute, the National Library of Medicine, the Centers for Disease Control and Prevention and others.
Empowerment or anxiety? Research on deployment of online medical E‐health services in Sweden
Authors: Huvila Isto , Myreteg Gunilla , Cajander Åsa 
Published: June 2013

AbstractEditor's SummaryAs early e‐health efforts progress, it is critical to step back to study their effectiveness and inform expanded implementation. The DOME project is a Swedish research initiative to examine the methods and implications of providing patients access to their own medical records and other e‐health services. The focus is on SUSTAINS, a patient access system established in 2012 in 11 European countries. Sweden's Uppsala county opened access to residents to view their electronic health records with provider notes, lab results, diagnoses and treatments in late 2012. Pre‐ and post‐implementation studies are being carried out through DOME and mixing with the public debate on benefits and drawbacks of easy online access to personal health information. Supporters and critics share concern for quality of care and data security. But advocates focus on better decisions by empowered patients, while detractors, including many healthcare providers, see patient anxiety resulting from insufficient information and lack of consultation. The DOME project is providing the opportunity to analyze all sides of expanded access to electronic health records.
Making data available: The UCLA data registry
Authors: Mandell Rachel 
Published: June 2013

AbstractEditor's SummarySince 2011 the University of California at Los Angeles (UCLA) has spearheaded an effort to make research data available through the UCLA Data Registry. The goal is to promote sharing and reuse of research data while developing recommendations for how this goal is best accomplished. A data registry compiles descriptive information about datasets, much like a library catalog. It may be more viable in terms of cost and data management than holding the actual data. UCLA's Data Registry is intended to be multidisciplinary and capture sufficient detail to enable users to identify and find the data they need. Advantages to scholars of registering data with UCLA include wider exposure, satisfying funding requirements and discovering collaboration opportunities. UCLA's Data Registry is envisioned as one tool among a collection of services forming an information infrastructure that links datasets to publications.
Optimizing the Kinetics and Thermodynamics of DNA i‐Motif Folding
Authors: Lieblein Anna Lena , Fürtig Boris , Schwalbe Harald 
Published: June 2013

AbstractUnder slightly acidic conditions, single cytidine‐rich DNA strands can form four‐stranded structures called i‐motifs. The stability of the i‐motif structure is based on the intercalation of hemiprotonated C–C+ base pairs. In addition, the stability of these structures is influenced by pH, temperature, salt concentration, number of cytidines per C‐rich stretch, and length of sequence; it also depends on the nucleotides in the connecting loop regions. Here, we investigated the influence of the loop nucleotides on i‐motif stability, structure, and kinetics of folding, in five structures with the same loop‐size but different adenosine and thymidine residues within the loop. The stabilities of the i‐motif structures were determined by CD melting, and structure and kinetics of folding were studied by static and time‐resolved NMR experiments.
N,N‐Diphospholylamines—A New Family of Ligands for Highly Active, Chromium‐Based, Selective Ethene Oligomerisation Catalysts
Authors: Stennett Tom E. , Hey Thomas W. , Ball Liam T. , Flynn Stephanie R. , Radcliffe James E. , McMullin Claire L. , Wingad Richard L. , Wass Duncan F. 
Published: June 2013

AbstractA series of new diphosphazane (PNP) ligands that contain 2,3,4,5‐tetraethylphosphole or dibenzophosphole moieties has been synthesised. The new compounds have been screened for chromium‐catalysed, selective ethene oligomerisation by in situ combination with CrCl3(thf)3 and methylaluminoxane (MAO). The ligands derived from 2,3,4,5‐tetraethylphosphole produce highly active catalysts for ethene oligomerisation, which show excellent selectivity to C6 and C8 linear α‐olefins. Complexes of the form [Cr(CO)4L] were synthesised and studied by IR spectroscopy and single‐crystal XRD. Variable‐temperature NMR spectroscopy was used to investigate restricted PN rotation in compounds with bulky nitrogen substituents.
Creation of Ternary Multicomponent Crystals by Exploitation of Charge‐Transfer Interactions
Authors: Seaton Colin C. , Blagden Nicholas , Munshi Tasnim , Scowen Ian J. 
Published: June 2013

AbstractFour new ternary crystalline molecular complexes have been synthesised from a common 3,5‐dinitrobenzoic acid (3,5‐dnda) and 4,4′‐bipyridine (bipy) pairing with a series of amino‐substituted aromatic compounds (4‐aminobenzoic acid (4‐aba), 4‐(N,N‐dimethylamino)benzoic acid (4‐dmaba), 4‐aminosalicylic acid (4‐asa) and sulfanilamide (saa)). The ternary crystals were created through the application of complementary charge transfer and hydrogen‐bonding interactions. For these systems a dimer was created through a charge‐transfer interaction between two of the components, while hydrogen bonding between the third molecule and this dimer completed the construction of the ternary co‐crystal. All resulting structures display the same acid⋅⋅⋅pyridine interaction between 3,5‐dnba and bipy. However, changing the third component causes the proton of this bond to shift from neutral OH⋅⋅⋅N to a salt form, O−⋅⋅⋅HN+, as the nature of the group hydrogen bonding to the carboxylic acid was changed. This highlights the role of the crystal environment on the level of proton transfer and the utility of ternary systems for the study of this process.
Aromaticity Effects on the Profiles of the Lowest Triplet‐State Potential‐Energy Surfaces for Rotation about the CC Bonds of Olefins with Five‐Membered Ring Substituents: An Example of the Impact of Baird’s Rule
Authors: Zhu Jun , Fogarty Heather A. , Möllerstedt Helene , Brink Maria , Ottosson Henrik 
Published: June 2013

AbstractA density functional theory study on olefins with five‐membered monocyclic 4n and 4n+2 π‐electron substituents (C4H3X; X=CH+, SiH+, BH, AlH, CH2, SiH2, O, S, NH, and CH−) was performed to assess the connection between the degree of substituent (anti)aromaticity and the profile of the lowest triplet‐state (T1) potential‐energy surface (PES) for twisting about olefinic CC bonds. It exploited both Hückel’s rule on aromaticity in the closed‐shell singlet ground state (S0) and Baird’s rule on aromaticity in the lowest ππ* excited triplet state. The compounds CH2CH(C4H3X) were categorized as set A and set B olefins depending on which carbon atom (C2 or C3) of the C4H3X ring is bonded to the olefin. The degree of substituent (anti)aromaticity goes from strongly S0‐antiaromatic/T1‐aromatic (C5H4+) to strongly S0‐aromatic/T1‐ antiaromatic (C5H4−). Our hypothesis is that the shapes of the T1 PESs, as given by the energy differences between planar and perpendicularly twisted olefin structures in T1 [ΔE(T1)], smoothly follow the changes in substituent (anti)aromaticity. Indeed, correlations between ΔE(T1) and the (anti)aromaticity changes of the C4H3X groups, as measured by the zz‐tensor component of the nucleus‐independent chemical shift ΔNICS(T1;1)zz, are found both for sets A and B separately (linear fits; r2=0.949 and 0.851, respectively) and for the two sets combined (linear fit; r2=0.851). For sets A and B combined, strong correlations are also found between ΔE(T1) and the degree of S0 (anti)aromaticity as determined by NICS(S0,1)zz (sigmoidal fit; r2=0.963), as well as between the T1 energies of the planar olefins and NICS(S0,1)zz (linear fit; r2=0.939). Thus, careful tuning of substituent (anti)aromaticity allows for design of small olefins with T1 PESs suitable for adiabatic Z/E photoisomerization.
Structures and Interligand Interaction Pattern of Phosphoramidite Pd Complexes by NMR Spectroscopy: Modulations in Extended Interaction Surfaces as Stereoselection Mode of a Privileged Class of Ligands
Authors: Hartmann Evelyn , Hammer Michael M. , Gschwind Ruth M. 
Published: June 2013

AbstractDuring the last decade, phosphoramidites have been established as a so‐called privileged class of ligands in various transition metal catalyses. However, the interactions responsible for their favorable properties have hitherto remained elusive. To address this issue, the formation trends, structural features, and interligand interaction patterns of several trans‐ and cis‐[PdLL′Cl2] complexes have been investigated by NMR spectroscopy. The energetic contribution of their interligand interactions has been measured experimentally using the supramolecular balance for transition‐metal complexes. The resulting energetics combined with an analysis of the electrostatic potential surfaces reveal that in phosphoramidites not only the aryl groups but the complete (CH)CH3Ph moieties of the amine side chains form extended quasi‐planar CH‐π and π‐π interaction surfaces. Application of the supramolecular balance has shown that modulations in these extended interaction surfaces cause energetic differences that are relevant to enantioselective catalysis. In addition, the energetics of these interligand interactions are quite independent of the actual structures of the complexes. This is shown by similar formation and aggregation trends of complexes with the same ligand but different structures. The extended quasi‐planar electrostatic interaction surface of the (CH)CH3Ph moiety explains the known pattern of successful ligand modulation and the substrate specificity of phosphoramidites. Thus, we propose modulations in these extended CH‐π and π‐π interaction areas as a refined stereoselection mode for these ligands. Based on the example of phosphoramidites, this study reveals three general features potentially applicable to various ligands in asymmetric catalysis. First, specific combinations of alkyl and aryl moieties can be used to create extended anisotropic interaction areas. Second, modulations in these interaction surfaces cause energetic differences that are relevant to catalytic applications. Third, bulky substituents with matching complementary interaction surfaces should not only be considered in terms of steric hindrance but also in terms of attractive and repulsive interactions, a feature that may often be underestimated in asymmetric catalysis.
Tetraaryl ZnII Porphyrinates Substituted at β‐Pyrrolic Positions as Sensitizers in Dye‐Sensitized Solar Cells: A Comparison with meso‐Disubstituted Push–Pull ZnII Porphyrinates
Authors: Di Carlo Gabriele , Orbelli Biroli Alessio , Pizzotti Maddalena , Tessore Francesca , Trifiletti Vanira , Ruffo Riccardo , Abbotto Alessandro , Amat Anna , De Angelis Filippo , Mussini Patrizia R. 
Published: June 2013

AbstractA facile and fast approach, based on microwave‐enhanced Sonogashira coupling, has been employed to obtain in good yields both mono‐ and, for the first time, disubstituted push–pull ZnII porphyrinates bearing a variety of ethynylphenyl moieties at the β‐pyrrolic position(s). Furthermore, a comparative experimental, electrochemical, and theoretical investigation has been carried out on these β‐mono‐ or disubstituted ZnII porphyrinates and meso‐disubstituted push–pull ZnII porphyrinates. We have obtained evidence that, although the HOMO–LUMO energy gap of the meso‐substituted push–pull dyes is lower, so that charge transfer along the push–pull system therein is easier, the β‐mono‐ or disubstituted push–pull porphyrinic dyes show comparable or better efficiencies when acting as sensitizers in DSSCs. This behavior is apparently not attributable to more intense B and Q bands, but rather to more facile charge injection. This is suggested by the DFT electron distribution in a model of a β‐monosubstituted porphyrinic dye interacting with a TiO2 surface and by the positive effect of the β substitution on the incident photon‐to‐current conversion efficiency (IPCE) spectra, which show a significant intensity over a broad wavelength range (350–650 nm). In contrast, meso‐substitution produces IPCE spectra with two less intense and well‐separated peaks. The positive effect exerted by a cyanoacrylic acid group attached to the ethynylphenyl substituent has been analyzed by a photophysical and theoretical approach. This provided supporting evidence of a contribution from charge‐transfer transitions to both the B and Q bands, thus producing, through conjugation, excited electrons close to the carboxylic anchoring group. Finally, the straightforward and effective synthetic procedures developed, as well as the efficiencies observed by photoelectrochemical measurements, make the described β‐monosubstituted ZnII porphyrinates extremely promising sensitizers for use in DSSCs.
An Electrochemical Route to Quantitative Oxidation of Graphene Frameworks with Controllable C/O Ratios and Added Pseudocapacitances
Authors: Liu Fei , Xue Dongfeng 
Published: June 2013

AbstractWe report an electrochemical oxidation route to tunable C/O ratios in the graphene framework, creating enhanced pseudocapacitance with increasing oxygen content. Controlled surface functionalities on graphene enable a high specific capacitance and negligible electric conductivity loss. A specific capacitance of up to 279 F g−1 was achieved for the functionalized graphene at a discharge current of 1 A g−1 in 1 M H2SO4 electrolyte; this capacitance remained as high as 152 F g−1 at 100 A g−1. These values are much higher than those of non‐oxidized graphene. These excellent performances of the functionalized graphene signify the importance of precise control of the surface chemistry of graphene‐based materials.