bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring Chemical Diversity of α‐Pyrone Antibiotics: Molecular Basis of Myxopyronin Biosynthesis
Authors: Sucipto Hilda , Wenzel Silke C. , Müller Rolf 
Published: August 2013

AbstractMyxopyronins and corallopyronins are structurally related α‐pyrone antibiotics from myxobacteria. They are thought to represent a highly promising compound class for the development of broad‐spectrum antibacterial therapeutic agents, because of their ability to inhibit RNA polymerase through interaction with the “switch region”, a recently identified novel drug target. Here we describe the identification and characterization of the myxopyronin biosynthetic pathway from Myxococcus fulvus Mx f50. A detailed comparison with the recently identified corallopyronin biosynthetic pathway revealed the genetic and biochemical basis, thus explaining the observed structural differences between the two natural product families. Directed mutagenesis procedures for M. fulvus Mx f50 were developed to enable functional studies and pathway modifications. Our work provided new insights into myxopyronin biosynthesis and led to the production of a novel and unexpected myxopyronin derivative.
Long‐term cardiac safety and outcomes of dose‐dense doxorubicin and cyclophosphamide followed by paclitaxel and trastuzumab with and without lapatinib in patients with early breast cancer
Authors: Morris Patrick G. , Iyengar Neil M. , Patil Sujata , Chen Carol , Abbruzzi Alyson , Lehman Robert , Steingart Richard , Oeffinger Kevin C. , Lin Nancy , Moy Beverley , Come Steven E. , Winer Eric P. , Norton Larry , Hudis Clifford A. , Dang Chau T. 
Published: August 2013

BACKGROUNDThe authors have previously reported 2 consecutive phase 2 trials in patients with early breast cancer that overexpresses human epidermal growth factor receptor 2 (HER2) to assess the feasibility of incorporating anti‐HER2 therapies into dose‐dense (dd) chemotherapy regimens. The incidence of congestive heart failure (CHF) at a median follow‐up of 2 years was 1.4% and 3.2%, respectively.METHODSIn trial A, patients received dd doxorubicin and cyclophosphamide (AC)→paclitaxel (T) (each given every 2 weeks) × 4 with trastuzumab (H) given × 1 year. In trial B, weekly T (weekly × 12) was substituted for ddT and lapatinib × 1 year was added. Herein, the authors report the longer‐term incidence of CHF and distant disease‐free survival (DDFS).RESULTSFrom January 2005 to May 2008, 165 patients enrolled (median age, 46 years, with a median left ventricular ejection fraction of 68% [range, 52%‐81%]), 17%of whom had previous hypertension. With a median follow‐up of 84 months (trial A) and 57 months (trial B), 1 additional patient developed CHF. Therefore, the cumulative incidence of CHF was 1.4% (95% confidence interval [95% CI], 1.36%‐7.7%) for trial A and 4.2% (95% CI, 4.2%‐10.4%) for trial B. The 5‐year DDFS for trials A and B was 92% (95% CI, 83%‐97%) and 89% (95% CI, 81%‐94%), respectively.CONCLUSIONSLonger follow‐up of these 2 studies has demonstrated that ddAC→TH only or with lapatinib is associated with a low risk of CHF and promising DDFS in patients with early breast cancer. Cancer 2013;119:3943–3951. © 2013 American Cancer Society.
The National Lung Screening Trial: Results stratified by demographics, smoking history, and lung cancer histology
Authors: Pinsky Paul F. , Church Timothy R. , Izmirlian Grant , Kramer Barnett S. 
Published: August 2013

BACKGROUNDThe National Lung Screening Trial (NLST), which compared lung cancer screening with low‐dose computed tomography (LDCT) versus chest radiography (CXR), demonstrated a statistically significant mortality benefit of LDCT screening. In the current study, the authors performed a post hoc analysis to examine whether the benefit was affected by various baseline factors, including age, sex, and smoking status, and whether it differed by tumor histology.METHODSLung cancer death rates were computed as events over person‐years of observation; the mortality risk ratio (RR) was defined as the lung cancer death rate in the LDCT versus CXR trial arms. Poisson regression was used to test for interactions of sex, age (< 65 years vs ≥ 65 years), and smoking status (current vs former) with trial arm. Mortality RRs were also computed for specific lung cancer histologies.RESULTSThe overall mortality RR was 0.92 in men and 0.73 in women, with a P value for interaction of .08. RRs were similar for individuals aged < 65 years versus those aged ≥ 65 years (0.82 vs 0.87), and for current versus former smokers (0.81 vs 0.91). By tumor histology, mortality RRs were 0.75 for adenocarcinoma, 0.71 for all non‐small cell lung cancers except squamous, 1.23 for squamous cell carcinoma, and 0.90 for small cell carcinoma. RRs were similar for men and women for nonsquamous non‐small cell lung cancers (0.71 and 0.70, respectively); women were found to have lower RRs for small cell and squamous cell carcinoma.CONCLUSIONSA benefit of LDCT did not appear to vary substantially by age or smoking status; there was weak evidence of a differential benefit by sex. A differential benefit across lung cancer histologies may exist. Cancer 2013;119:3976–3983. Published 2013. This article is a U.S. Government work and is in the public domain in the USA.
Evidence for increasing usage of low‐grade squamous intraepithelial lesion, cannot exclude high‐grade squamous intraepithelial lesion (LSIL‐H) Pap test interpretations
Authors: Walavalkar Vighnesh , Tommet Douglas , Fischer Andrew H. , Liu Yuxin , Papa Debra M. , Owens Christopher L. 
Published: August 2013

BACKGROUNDPap test (PT) interpretations of low‐grade squamous intraepithelial lesion (LSIL), cannot exclude high‐grade squamous intraepithelial lesion (HSIL), or LSIL‐H, are used in many laboratories; however monitoring its usage for quality assurance purposes is understudied.METHODSPTs from 2005 to 2010 were collected, and yearly frequencies of LSIL, HSIL, LSIL‐H, and atypical squamous cells, cannot exclude HSIL (ASC‐H) as a function of total PTs and total squamous intraepithelial lesions (SILs) were calculated. Two‐year risk of cervical intraepithelial neoplasia 2 (CIN2) or worse (CIN2+) and CIN 3 or worse (CIN3+) was calculated.RESULTSA total of 352,220 PTs were identified including 17,301 abnormal PTs. LSIL‐H usage increased from 2005 to 2010 (from 0.28% of total PTs in 2005 to 0.61% in 2010, P < .01; from 5.8% of total SILs in 2005 to 12% in 2010, P < .001). HSIL usage decreased significantly from 2005 to 2010 (from 0.7% of total PTs in 2005 to 0.48% in 2010, P = .048; from 14.5% of total SILs in 2005 to 9.5% in 2010, P < .01). Usage of LSIL and ASC‐H did not change. Two‐year risk of CIN2+ and CIN3+ for HSIL increased significantly from 2005 to 2010 (P < .01). Two‐year risk of CIN2+ and CIN3+ for LSIL‐H did not change significantly from 2005 to 2010.CONCLUSIONSThe frequency of LSIL‐H interpretations is significantly increasing at our institution, with a significant decrease in HSIL interpretations over the same period. Two‐year risk of CIN2+ and CIN3+ for HSIL increased significantly as usage of LSIL‐H increased and that of HSIL decreased. Laboratories using LSIL‐H may benefit from monitoring its frequency to ensure its appropriate use. Cancer (Cancer Cytopathol) 2014;122:123–7. © 2013 American Cancer Society.
Bone remodelling in the natural acetabulum is influenced by muscle force‐induced bone stress
Authors: Fernandez Justin , Sartori Massimo , Lloyd David , Munro Jacob , Shim Vickie 
Published: August 2013

SUMMARYA modelling framework using the international Physiome Project is presented for evaluating the role of muscles on acetabular stress patterns in the natural hip. The novel developments include the following: (i) an efficient method for model generation with validation; (ii) the inclusion of electromyography‐estimated muscle forces from gait; and (iii) the role that muscles play in the hip stress pattern. The 3D finite element hip model includes anatomically based muscle area attachments, material properties derived from Hounsfield units and validation against an Instron compression test. The primary outcome from this study is that hip loading applied as anatomically accurate muscle forces redistributes the stress pattern and reduces peak stress throughout the pelvis and within the acetabulum compared with applying the same net hip force without muscles through the femur. Muscle forces also increased stress where large muscles have small insertion sites. This has implications for the hip where bone stress and strain are key excitation variables used to initiate bone remodelling based on the strain‐based bone remodelling theory. Inclusion of muscle forces reduces the predicted sites and degree of remodelling. The secondary outcome is that the key muscles that influenced remodelling in the acetabulum were the rectus femoris, adductor magnus and iliacus.Copyright © 2013 John Wiley & Sons, Ltd.
Simulation of nanoparticle transport in airways using Petrov–Galerkin finite element methods
Authors: Rajaraman Prathish , Heys Jeffrey J. 
Published: August 2013

SUMMARYThe transport and deposition properties of nanoparticles with a range of aerodynamic diameters ( 1 nm ⩽ d ⩽150 nm) were studied for the human airways. A finite element code was developed that solved both the Navier–Stokes and advection–diffusion equations monolithically. When modeling nanoparticle transport in the airways, the finite element method becomes unstable, and, in order resolve this issue, various stabilization methods were considered in terms of accuracy and computational cost. The stabilization methods considered here include the streamline upwind, streamline upwind Petrov–Galerkin, and Galerkin least squares approaches. In order to compare the various stabilization approaches, the approximate solution from each stabilization approach was compared to the analytical Graetz solution, which is a model for monodispersed, dilute particle transport in a straight cylinder. The optimal stabilization method, especially with regard to accuracy, was found to be the Galerkin least squares approach for the Graetz problem when the Péclet number was larger than 10 4. In the human airways geometry, the Galerkin least squares stabilization approach once more provided the most accurate approximate solution for particles with an aerodynamic diameter of 10 nm or larger, but mesh size had a much greater effect on accuracy than the choice of stabilization method. The choice of stabilization method had a greater impact than mesh size for particles with an aerodynamic diameter 10 nm or smaller, but the most accurate stabilization method was streamline upwind Petrov–Galerkin in these cases. Copyright © 2013 John Wiley & Sons, Ltd.
Bioavailability, Pharmacokinetics, and Safety of Belimumab Administered Subcutaneously in Healthy Subjects
Authors: Cai Wendy W. , Fiscella Michele , Chen Cecil , Zhong Z. John , Freimuth William W. , Subich David C. 
Published: August 2013

AbstractThis Phase 1 study evaluated the absolute bioavailability, pharmacokinetics (PK), tolerability, and safety of belimumab 200 mg/mL administered subcutaneously (SC) to healthy subjects as a single dose and as multiple doses up to 240 mg. In all, 118 subjects (age range 18–55 years; body weight 51–115 kg) were enrolled. Seventy‐eight subjects received a single dose of belimumab 240 mg intravenously, or 2 × 120, 1 × 240, or 1 × 200 mg SC. Forty subjects received 4 weekly injections of belimumab 2 × 120 or 1 × 200 mg SC. Randomization was stratified by weight (<75 kg vs. ≥75 kg) and injection site (abdomen vs. thigh). Following single belimumab SC doses, bioavailability was 74–82%, indicating that belimumab SC was well absorbed, and bioavailability was similar among the three SC groups. Following 4 weekly belimumab SC doses, bioavailability was similar to that following single SC administration. Four subjects had persistent positive immune responses; neutralizing antibodies in these subjects were not detected and there was no apparent impact on PK. Belimumab was generally well tolerated after single and multiple SC dosing, and 200 mg SC weekly dosing is expected to provide an exposure similar to 10 mg/kg intravenously every 28 days.
A Potential Carcinogenic Pyrene Derivative under Förster Resonance Energy Transfer to Various Energy Acceptors in Nanoscopic Environments
Authors: Banerjee Soma , Goswami Nirmal , Pal Samir Kumar 
Published: August 2013

AbstractPicosecond‐resolved Förster resonance energy transfer (FRET) from various vibronic bands in benzo[a]pyrene (BP) shows a strong dependency on the spectral overlap of an energy acceptor in a confined environment. Our study on the dipolar interactions between BP and different acceptors, including ethidium (Et), acridine orange (AO), and crystal violet (CV), at the surface of a model anionic micelle revealed that the Förster distance (R0) and the rate of energy transfer is dependent on the individual spectral overlap of the vibronic bands of BP with the absorption spectra of the different energy acceptors. The differential behavior of the vibronic bands is compared with that of different dyes [quantum dots (QDs)] in a “dye‐blend” (mixture) under FRET to an energy acceptor. Comparison of the FRET of the QDs with that of BP confirmed the independent nature of the dipolar interaction of the vibronic bands with other organic molecules, and the use of deconvolution techniques in the interpretation of the donor–acceptor (D–A) distance was also justified. We also showed that the consideration of differential FRET from the vibronic bands of BP and from the QDs in the dye‐blend is equally acceptable in theoretical frameworks including the Infelta–Tachiya model and D–A distribution analysis in nanoenvironments.
Interaction between the Cesium Cation and Cesium Carboxylates: An Extended Cs+ Basicity Scale
Authors: Mayeux Charly , Tammiku‐Taul Jaana , Massi Lionel , Gal Jean‐François , Burk Peeter 
Published: August 2013

AbstractThe interaction between the cesium cation and fulvic or humic acids is supposed to play a role in cesium mobility in the environment, which is of importance in the context of geographical dispersion or concentration of the corresponding radionuclides. Among the singly charged positive clusters generated by electrospray ionization of mixtures of carboxylic acids (AH) and cesium salts (nitrate, iodide, or trifluoroacetate), the cluster [A−Cs+]Cs+[A′−Cs+] was subjected to collision‐induced dissociation. The fragmentation into Cs+[A−Cs+] and Cs+[A′−Cs+] was treated using the kinetic method. A gas‐phase basicity ladder was built by a step‐by‐step addition of the relative basicity data. The relative basicity scale deduced from the kinetic method was calibrated using the affinity and basicity (the enthalpy and Gibbs energy scales, respectively) obtained from DFT calculations. The enhanced basicity of the polyacid salts, relative to their monoacid salts, as well as the substituent effects on aliphatic and aromatic structures, are discussed.
Origin of Photocatalytic Activity in Continuous Gas Phase CO2 Reduction over Pt/TiO2
Authors: Bazzo Antonio , Urakawa Atsushi 
Published: August 2013

AbstractThe dynamic nature of continuous photocatalytic reduction of gaseous CO2 in the presence of water vapor was studied by using Pt/TiO2 as catalyst under UV irradiation at 353 and 423 K in the absence of sacrificial electron donors. The reaction was studied with a good time resolution (order of seconds), to monitor product concentrations by means of mass spectrometry. Two distinct photocatalytic activities, namely steady‐state and transient, were identified. The former is active at the lower temperature and only for H2 production, whereas the latter dominates for CH4 production. The transient activity was recovered during dark time (i.e., the light is off) in the reaction mixture, with the magnitude of recovery proportionally increasing with the duration of the dark time. Higher temperature was found to be more effective for the recovery. Furthermore, insights into deactivation and reactivation mechanisms are explained by in situ diffuse reflectance infrared Fourier transform spectroscopy study.
Early postnatal growth in children with HLA‐conferred susceptibility to type 1 diabetes
Authors: Peet A. , Hämäläinen A.‐M. , Kool P. , Ilonen J. , Knip M. , Tillmann V. ,   for the DIABIMMUNE Study Group
Published: August 2013

AbstractAims/HypothesisAn association between increased length/height and weight gain and risk of type 1 diabetes (T1D) has been reported in children. We set out to investigate the potential contribution of T1D human leukocyte antigen (HLA) risk genotypes to this association in two countries with a contrasting disease incidence.MethodsIn Estonia and Finland, length and weight were monitored up to the age of 24 months in 688 subjects. According to their HLA genotypes, the children were divided into four groups, those with very high, high or moderate risk for T1D, as well as a neutral/control group. Relative length and weight (SDS) were assessed and compared at 3, 6, 12, 18 and 24 months using World Health Organization (WHO) growth curves.ResultsThe mean relative length at the age of 24 months was lower in the group with the very high risk HLA genotype compared to the controls (p < 0.05). The mean relative weight differed between those two groups at the age of 12, 18 and 24 months (p < 0.05). When Estonian and Finnish cohorts were analyzed separately, the relative length showed similar but non‐significant trends in both countries, while in Estonia the changes in weight at some time points still remained significant (p < 0.05).ConclusionsChildren with the highest HLA‐conferred risk for T1D gained less weight and length during the first 24 months of life, and this feature was more pronounced in the Estonian children. Copyright © 2013 John Wiley & Sons, Ltd.
The impact of Japanese knotweed on stream baseflow
Authors: Vanderklein D. W. , Galster J. , Scherr R. 
Published: August 2013

ABSTRACTThe impact of invasive plants on stream baseflow has mostly focused on water‐limited areas such as South Africa and the southwestern region of the United States. However, there is evidence suggesting that rivers in areas traditionally considered to be water‐rich (e.g. the northeastern United States) will be facing water shortages in the foreseeable future. Consequently, it is imperative to understand what impact invasive plants in this region may have on river baseflows. In early June 2008, pressure sensors to monitor stream depth were placed upstream and within a stretch of river containing Japanese knotweed on the bank. Knotweed daily photosynthesis, stomatal conductance, and transpiration patterns were recorded during the course of two day‐long periods at the end of July, 2008. At the beginning of August 2008, all of the knotweed plants in the study area were cut at the base and their leaves were harvested to determine total leaf area for the site. Pre‐harvest stream water levels were found to be significantly lower than post‐harvest stream levels within the stretch containing knotweed. In contrast, in the upstream location, baseflows decreased between pre‐harvest and post‐harvest. Furthermore, on the basis of the physiological measurements and total leaf area, it was estimated that the plants in the study area removed through transpiration about 1556 l or 10.4 mm of groundwater per day from the system. These findings suggest that the presence of knotweed within riparian habitats may have even more deleterious effects on water resources than previously considered and merit future research. Copyright © 2013 John Wiley & Sons, Ltd.
NiII‐Pyridyloximato Triangles with a Central μ3‐OH Ligand: Magnetostructural Correlations
Authors: Esteban Jordi , Font‐Bardia Mercè , Escuer Albert 
Published: August 2013

AbstractNew examples of unusual μ3‐OR/oximato‐Ni3 isolated triangles have been obtained by treatment of different nickel carboxylato salts with 2‐pyridylcyanoxime, pyC{CN}NOH. Depending on the precursor and reaction conditions, compounds [Ni3(MeOH)2(AcO)(OH)(pyC{CN}NO)4] (1), (NEt4)[Ni3(H2O)(3‐ClBzO)2(OH)(pyC{CN}NO)4] (2) and (NEt3H)[Ni3(H2O)3(OH)(Ph2CHCOO)3(pyC{CN}NO)3] (3) were characterized. Direct current magnetic measurements performed in the 2–300 K temperature range revealed antiferromagnetic interactions induced by the μ3‐OR/oximato superexchange pathway, quasi‐frustration for 1 and 2, and an S = 0 ground state for 3. Magnetostuctural correlations derived from the experimental data confirmed the previous DFT predictions relating the magnitude of the superexchange interaction with the Ni–O–Ni bond angle.
Formulation of sub‐micron emulsions containing docosahexaenoic acid esterified in triacylglycerols or phospholipids
Authors: Kabri Tin‐Hinan , Meynier Anne , Bontemps Delphine , Gaillard Cédric , Foucat Loic , Linder Michel , Genot Claude 
Published: August 2013

In food applications, long‐chain PUFA can be carried by different lipid molecules, which can affect their end‐use properties. The objective of this study was to formulate emulsions containing DHA located exclusively in phospholipids (PL‐DHA) or in triacylglycerols (TAG‐DHA) and with similar fatty acid profiles and organization. Food grade oils and lecithins were blended on the basis of their fatty acid (FA) contents and submitted to high‐pressure homogenization with mineral water. The lecithin containing PL‐DHA allowed to stabilize oil‐in‐water emulsion with droplet average diameter around 240 nm thank to the interfacial molecular packing of the PL species comprising lyso and anionic phospholipids. Small particles around 40 nm were also highlighted by transmission electron microscopy (TEM). To stabilize TAG‐DHA emulsion with mainly soybean phosphatidylcholine, Tween‐80 was selected among other co‐emulsifiers. This TAG‐DHA emulsion presented an average droplet diameter of 203 nm and contained small particles (20 nm) viewed by TEM. It had less negative droplet charge and lower supramolecular diffusion coefficient than PL‐DHA emulsion. It was less physically stable than PL‐DHA emulsion whose droplet size distribution remained unchanged during at least 19 days at 37°C concomitantly with an increase of 1H NMR FA molecular diffusion coefficient.Practical applications: The sub‐micron emulsions designed in this study were physically stable during storage. They were prepared with food‐grade oils and characterized by similar FA compositions and structures. They can be used as delivery systems with FA compositions responding to nutritional recommendations.