bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring the Oxidative‐Addition Pathways of Phenyl Chloride in the Presence of PdIIAbnormal N‐Heterocyclic Carbene Complexes: A DFT Study
Authors: Mondal Totan , De Sriman , Maity Bholanath , Koley Debasis 
Published: September 2016

AbstractDFT calculations were performed to elucidate the oxidative addition mechanism of the dimeric palladium(II) abnormal N‐heterocyclic carbene complex2in the presence of phenyl chloride and NaOMe base under the framework of a Suzuki–Miyaura cross‐coupling reaction. Pre‐catalyst2undergoes facile, NaOMe‐assisted dissociation, which led to monomeric palladium(II) species5,6, and7, each of them independently capable of initiating oxidative addition reactions with PhCl. Thereafter, three different mechanistic routes, path a, path b, and path c, which originate from the catalytic species5,7, and6, were calculated at M06‐L‐D3(SMD)/LANL2TZ(f)(Pd)/6–311++G**//M06‐L/LANL2DZ(Pd)/6–31+G* level of theory. All studied routes suggested the rather uncommon PdII/PdIVoxidative addition mechanism to be favourable under the ambient reaction conditions. Although the Pd0/PdIIroutes are generally facile, the final reductive elimination step from the catalytic complexes were energetically formidable. The PdII/PdIVactivation barriers were calculated to be 11.3, 9.0, 26.7 kcal mol−1(ΔΔ≠GLS‐D3) more favourable than the PdII/Pd0reductive elimination routes for path a, path b, and path c, respectively. Out of all the studied pathways, path a was the most feasible as it comprised of a PdII/PdIVactivation barrier of 24.5 kcal mol−1(ΔGLS‐D3). To further elucidate the origin of transition‐state barriers, EDA calculations were performed for some key saddle points populating the energy profiles.
Acidic Co‐Catalysts in Cationic Gold Catalysis
Authors: Barrio Pablo , Kumar Manish , Lu Zhichao , Han Junbin , Xu Bo , Hammond Gerald B. 
Published: September 2016

AbstractA systematic study on the effects of Lewis or Brønsted acid co‐catalysts in gold‐catalyzed reactions was undertaken using representative reactions (O‐, N‐, and C‐nucleophilic additions to alkynes). Through these reactions, it was demonstrated that an acidic co‐catalyst can increase the catalyst turnover significantly, enabling practical reaction rates at competitive catalyst loadings (<1 mol %). Further investigation is currently underway to improve the understanding of the subtle principles underlying these experimental observations.
Photocontrol of Polar Aromatic Interactions by a Bis‐Hemithioindigo Based Helical Receptor
Authors: Guentner Manuel , Uhl Edgar , Mayer Peter , Dube Henry 
Published: September 2016

AbstractThe first example of a bis‐hemithioindigo (bis‐HTI)‐based molecular receptor was realized. Its folding and selective binding affinity for aromatic guest molecules can be precisely controlled by visible light and heat. The thermodynamically stable state of the bis‐HTI is the s‐shaped planar Z,Z‐configuration. After irradiation with 420 nm light only the E,Z‐configuration is formed in a highly selective photoisomerization. The E,Z‐isomer adopts a helical conformation because of the implementation of repulsive steric interactions. The E,Z‐configured helix is able to recognize electron‐poor aromatic guests exclusively through polar aromatic interactions and also distinguishes between regioisomers. After heating, the Z,Z‐configuration is completely restored and the aromatic guest molecule is efficiently released.
Copper‐Mediated Trifluoroacetylation of Arenediazonium Salts with Ethyl Trifluoropyruvate
Authors: Wu Wei , Tian Qinli , Chen Taotao , Weng Zhiqiang 
Published: September 2016

AbstractA copper‐mediated trifluoroacetylation of various arenediazonium salts with ethyl trifluoropyruvate is reported. The reaction proceeded smoothly under mild conditions at room temperature giving trifluoromethyl aryl ketones in moderate to good yields. A variety of functional groups, including methoxy, hydroxy, ester, ketone, trifluoromethyl, and halide groups, were well tolerated. A possible reaction mechanism involving an aryl radical intermediate was proposed and supported by experimental evidence. This reaction provides a new route to trifluoromethyl aryl ketones, notable synthetic targets, from the corresponding anilines.
New Insights into the Reactivity of Cisplatin with Free and Restrained Nucleophiles: Microsolvation Effects and Base Selectivity in Cisplatin–DNA Interactions
Authors: de Cózar Abel , Larrañaga Olatz , Bickelhaupt F. Matthias , San Sebastián Eider , Ortega‐Carrasco Elisabeth , Maréchal Jean‐Didier , Lledós Agustí , Cossío Fernando P. 
Published: September 2016

AbstractThe reactivity of cisplatin towards different nucleophiles has been studied by using density functional theory (DFT). Water was considered first to analyze the factors that govern the transformation of cisplatin into more electrophilic aquated species by using an activation‐strain model. It was found that the selectivity and reactivity of cisplatin is a delicate trade‐off between strain and interaction energies and that the second chloride is a worse leaving group than the first. When similar studies were carried out with imidazole, guanine (G), and adenine (A), it was found that in general the second nucleophilic substitution reactions have lower activation barriers than the first ones. Finally, simulations of the structural restrictions imposed by the DNA scaffold in intra‐ and interstrand processes showed that the geometries of the reaction products are nonoptimal with respect to the unrestrained A and G nucleophiles, although the energetic cost is not considerable under physiological conditions, which thus permits nucleophilic substitution reactions that lead to highly distorted DNA.
Early diagenetic evolution of Chalk in eastern Denmark
Authors: Moreau Julien , Boussaha Myriam , Nielsen Lars , Thibault Nicolas , Ullmann Clemens V. , Stemmerik Lars 
Published: September 2016

AbstractThe genesis of polygonal faults is an intriguing diagenetic phenomenon. This study discusses their origin in carbonate mudstones together with other associated diagenetic features. In the eastern Danish Basin, at the fringe of the Baltic Sea, the Stevns peninsula offers a unique opportunity to study the early diagenesis of Upper Cretaceous Chalk deposits, buried between 500 m and 1400 m. This paper combines data from onshore and offshore high‐resolution seismic reflection profiles, a fully cored borehole with high‐resolution wireline logs and quarry and coastal cliff outcrops to study early diagenetic features at different scales. Chalk is affected by an extensive polygonal fault system that is detected in onshore and offshore seismic data. Outcrop and core data provide a better understanding of the distribution of contraction‐related features like deformation bands (hairline fractures), stylolites and fluid escape structures. An original model of genetic relationships between these different diagenetic processes is documented for Chalk. The spatial relationships between stylolites and fractures suggest that pressure‐solution processes triggered shear failure that initiated the polygonal fault systems. The early diagenetic processes affect the reservoir properties of Chalk by creating compartments and vertical connections. Taking these features into account will allow for a more detailed understanding of early diagenesis and better models for exploiting drinking water or hydrocarbons hosted in Chalk.
Hyperbaric oxygen therapy for maxillary bone radiation‐induced injury: A 15‐year single‐center experience
Authors: Gavriel Haim , Eviatar Ephraim , Abu Eta Rani 
Published: September 2016

ABSTRACTBackgroundAlthough hyperbaric oxygen therapy (HBOT) is used to treat chronic radiation tissue injury, clinical evidence supporting its use in maxillary bone osteoradionecrosis (ORN) is lacking. Therefore, the purpose of this study was to report our results of collected patient outcomes from a single center's large experience using HBOT to treat maxillary bone ORN.MethodsFrom 1999 to 2015, 21 patients received treatment for maxillary bone ORN at our center. The medical records were retrospectively reviewed for the following variables: age, sex, comorbidities, tumor stage and site, previous surgery, previous radiotherapy or chemoradiation therapy, HBOT data, response to treatment and further management.ResultsA positive clinical outcome from HBOT occurred in 85.7% of patients with ORN and was proven radiologically in 14 of 15 patients (93.3%). In 5 patients, reconstructive surgery was required thereafter.ConclusionControversy exists regarding the management of ORN of the maxillofacial skeleton. Our large, single‐center experience probably supports the efficacy of HBOT for maxillary bone ORN. © 2016 Wiley Periodicals, Inc. Head Neck 39: 275–278, 2017
Concentration of radiocaesium in rice and irrigation water, and soil management practices in Oguni, Date, Fukushima
Authors: Tsukada Hirofumi , Ohse Kenji 
Published: September 2016

Abstract
The concentration of radiocaesium (134Cs and 137Cs) in brown rice collected from Oguni, Date, Fukushima in 2011 was over 500 Bq kg−1, which was the provisional regulation value in 2011, and rice cultivation was prohibited in 2012. Rice culture was resumed following the application of K fertilizer as a countermeasure in 2013. The concentration of 137Cs in soils and irrigation water in 2013 was in the range of 1200 to 4000 Bq kg−1 (n = 31) and 0.078 to 1.1 Bq L−1 (n = 7), respectively. The concentration of 137Cs in the dissolved fraction in irrigation water filtered with 0.45 µm pore-size membrane filter was a relatively constant at 0.019 to 0.038 Bq L−1 (n = 7). The concentration of 137Cs in brown rice cultivated in the paddy fields after implementing the countermeasure was 1.1 to 24 Bq kg−1 dry weight (n = 29), which was lower than the Standard Limits (100 Bq kg−1). However, the concentration of Cs in rice cultivated under a similar agricultural management as in 2011 and prior to the Tokyo Electric Power Company Holdings' (TEPCO) Fukushima accident was over the Standard Limits. Integr Environ Assess Manag 2016;12:659–661. © 2016 SETAC
Fukushima's lessons from the blue butterfly: A risk assessment of the human living environment in the post-Fukushima era
Authors: Otaki Joji M 
Published: September 2016

Abstract
A series of studies on the pale grass blue butterfly that were carried out to assess the biological effects of the Fukushima nuclear accident teach 3 important lessons. First, it is necessary to have an environmental indicator species, such as the pale grass blue butterfly in Japan, that is common (not endangered), shares a living environment (air, water, and soil) with humans, and is amenable to laboratory experiments. The monitoring of such indicator species before and immediately after a nuclear accident likely reflects acute impacts caused by initial exposure. To assess transgenerational and chronic effects, continuous monitoring over time is encouraged. Second, it is important to understand the actual health status of a polluted region and comprehend the whole picture of the pollution impacts, rather than focusing on the selected effects of radiation alone. In our butterfly experiments, plant leaves from Fukushima were fed to larval butterflies to access whole-body effects, focusing on survival rate and morphological abnormalities (rather than focusing on a specific disease or biochemical marker). Our results revealed that ionizing radiation is unlikely to be the exclusive source of environmental disturbances. Airborne particulate matter from a nuclear reactor, regardless of its radioactivity, is likely equally important. Finally, our butterfly experiments demonstrate that there is considerable variation in sensitivities to nuclear pollution within a single species or even within a local population. Based on these results, it is speculated that high pollution sensitivity in humans may be caused not only by low levels of functional DNA repair enzymes but also by immunological responses to particulate matter in the respiratory tract. These lessons from the pale grass blue butterfly should be integrated in studying future nuclear pollution events and decision making on nuclear and environmental policies at the local and international levels in the postFukushima era. Integr Environ Assess Manag 2016;12:667–672. © 2016 SETAC
Societal and ethical aspects of the Fukushima accident
Authors: Oughton Deborah 
Published: September 2016

Abstract
The Fukushima Nuclear Power Station accident in Japan in 2011 was a poignant reminder that radioactive contamination of the environment has consequences that encompass far more than health risks from exposure to radiation. Both the accident and remediation measures have resulted in serious societal impacts and raise questions about the ethical aspects of risk management. This article presents a brief review of some of these issues and compares similarities and differences with the lessons learned from the 1986 Chernobyl Nuclear Power Plant accident in Ukraine. Integr Environ Assess Manag 2016;12:651–653. © 2016 SETAC.
Seasonal morphometry of the vomeronasal organ in the marsupial mouse, Antechinus subtropicus
Authors: Aland Rachel Claire , Gosden Edward , Bradley Adrian J. 
Published: September 2016

ABSTRACTThe vomeronasal system consists of a peripheral organ and the connected central neuronal networks. The central connections are sexually dimorphic in rodents, and in some species, parameters of the vomeronasal organ (VNO) vary with sex, hormonal exposure, body size and seasonality. The VNO of the dasyurid marsupial mouse, Antechinus subtropicus is presumed to be functional. The unusual life history (male semelparity) is marked by distinct seasonality with differences in hormonal environments both between males and females, and in males at different time points. Body size parameters (e.g., length, weight) display sexual dimorphism and, in males, a pronounced weight gain before breeding is followed by a rapid decline during the single, short reproductive season. VNO morphometry was investigated in male and female A. subtropicus to identify possible life cycle associated activity. The overall length of the VNO is positively correlated with the size of the animal. The amount of sensory epithelium exhibits a negative correlation, decreasing with increasing size of the animal. The effects of sex and breeding condition are not obvious, although they do suggest that sensory vomeronasal epithelium mass declines in the breeding period. The VNO may be more important in A. subtropicus before breeding when it may participate in synchronising reproduction and in the development of the male stress response. J. Morphol. 277:1517–1530, 2016. © 2016 Wiley Periodicals, Inc.
Temporal trends in inpatient pediatric sleep apnea surgery: 1993–2010
Authors: Smith David F. , Sa Ting , Fenchel Matthew , Cohen Aliza P. , Heubi Christine , Shott Sally R. , Gourin Christine G. , Ishman Stacey L. 
Published: September 2016

Objectives/HypothesisWe sought to characterize changes in the patterns of inpatient surgical sleep care over time and ascertain if these changes were consistent with previously reported trends in adult surgical sleep care.Study DesignRepeated cross‐sectional study.MethodsDischarge data from the U.S. Nationwide Inpatient Sample for 125,691 nasal, palatal, or hypopharyngeal procedures in children for sleep‐disordered breathing or obstructive sleep apnea (OSA) from 1993 to 2010 were analyzed using cross‐tabulations and multivariate regression modeling.ResultsInpatient surgical sleep procedures increased from 45,671 performed in 1993 to 2000 (study period 1) to 80,020 in 2001 to 2010 (study period 2). Overall, patients were commonly male (61.3%), privately insured (46.8%), 2 to 6 years old (39.4%), and white (36.4%). Obesity was reported in 4.6% and 6.7% of children during study periods 1 and 2, respectively (P < .0001). Tonsillectomy (with and without adenoidectomy) was the most commonly performed procedure in both study periods. With the exception of uvulopalatopharyngoplasty and tracheostomy, all sleep procedures increased over time; however, multilevel surgery did not significantly increase (P = .28). Children who underwent sleep surgery during study period 2 were more likely to receive a supraglottoplasty (P = .0125) and to undergo procedures at high‐volume hospitals (P = .0311), and less likely to undergo a tracheostomy (P < .0001).ConclusionsThese data reflect changing trends in the surgical management of pediatric OSA, with significant increases in nasal and hypopharyngeal procedures, particularly lingual tonsillectomy and supraglottoplasty. Unlike the trend in adults, multilevel surgery in children with sleep disordered breathing or OSA has not yet been integrated into routine clinical practice.Level of Evidence2C Laryngoscope, 127:1235–1241, 2017
Critical airway obstruction in apparently asymptomatic neonates
Authors: Griffiths Benedict , Lee Geraint , Durward Andrew 
Published: September 2016

SummaryCentral airway obstruction (trachea and major bronchi) in neonates can be caused by malacia, stenosis, or compression by masses or vascular structures. These abnormalities may be present in the neonatal period but are typically not detected until at least 6 months of age. We present four patients (1.6–4.1 kg, 32–41 weeks gestation) with nonspecific symptoms (e.g., poor weight gain, difficulty weaning from CPAP) who underwent bronchoscopy in the neonatal period. Critical airway obstruction (>90%) was identified in these relatively asymptomatic neonates. We suggest a low threshold for investigation with bronchoscopy in high‐risk neonates. Pediatr Pulmonol. 2017;52:E15–E17. © 2016 Wiley Periodicals, Inc.
Migrating persistent pulmonary consolidation in a child: A case of follicular bronchiolitis
Authors: Jeong Yeongsang , Bang Yong Hyun , Kim Yun‐Kyung 
Published: September 2016

SummaryMigrating pulmonary lesions in children are uncommon, and most are caused by eosinophilic lung disease and parasite, fungus, and tuberculosis infections. A 12‐year‐old boy was referred to our hospital because of an abnormal chest x‐ray. Serial computed tomography scans performed over several months showed a migrating pulmonary consolidation in the left lung, although the patient remained asymptomatic. Finally, surgical biopsy was performed and follicular bronchiolitis was diagnosed. The consolidation disappeared 17 months later without treatment, and the patient has remained asymptomatic. Primary follicular bronchiolitis could be considered as one of the differential diagnosis in patients with pulmonary reticulo‐nodular consolidation. It should also be noted that follicular bronchiolitis can migrate. Pediatr Pulmonol. 2017;52:E22–E25. © 2016 Wiley Periodicals, Inc.
Overexpression of TAT‐PTD–diapause hormone fusion protein in tobacco and its effect on the larval development of Helicoverpa armigera (Lepidoptera: Noctuidae)
Authors: Zhou Zhou , Li Yongli , Yuan Chunyan , Doucet Daniel , Zhang Yongan , Qu Liangjian 
Published: September 2016

AbstractBACKGROUNDThe diapause hormone (DH) has been shown either to induce or to terminate diapause, depending on the insect species. In a previous study we demonstrated that the DH from Clostera anastomosis (caDH) has biological activity in Helicoverpa armigera, which prompted us to examine the potential growth‐inhibiting or antiherbivory effects of the TAT‐caDH fusion protein when expressed in transgenic plants.RESULTSIn this study, we produced transgenic tobacco plants expressing either the TAT‐caDH protein or a TAT‐caDH–eGFP fusion version that allowed tracking of the fluorescent protein in plant tissues. Our results indicate that H. armigera larvae feeding on transgenic tobacco expressing TAT‐caDH exhibited a significantly reduced survival rate and weight gain. However, larvae feeding on transgenic tobacco expressing TAT‐caDH–eGFP were unaffected. While fusion of the eGFP gene influenced the bioactivity of caDH in larvae, TAT‐caDH–eGFP can still penetrate the insect midgut cell membrane.CONCLUSIONTAT‐caDH increases DH stability in oral delivery. Our results may help in targeting DH‐dependent physiological processes in insects for improving herbivore tolerance in economically important crops. © 2016 Society of Chemical Industry
Characterization of post‐translational modifications on lysine 9 of histone H3 variants in mouse testis using matrix‐assisted laser desorption/ionization in‐source decay
Authors: Kwak Ho‐Geun , Dohmae Naoshi 
Published: September 2016

RationalePost‐translational modifications (PTMs) of histones result in changes to transcriptional activities and chromatin remodeling. Lysine 9 of histone H3 (H3K9) is subject to PTMs, such as methylation and acetylation, which influence histone activity during spermatogenesis. Characterization strategies for studying PTMs on H3K9 have been developed to provide epigenetic and proteomic information. Proteomic analysis has been used to limited success to study PTMs on H3K9; however, a comprehensive analytical approach is required to elucidate global patterns of PTMs of H3 variants during spermatogenesis.MethodsIntact H3 variants in mouse testis were separated by high‐performance liquid chromatography on a reversed‐phase column with an ion‐pairing reagent. Modifications to H3K9 were identified via top‐down analysis using matrix‐assisted laser desorption/ionization in source decay (MALDI‐ISD).ResultsMono‐, di‐, and tri‐methylations were identified at H3K9 in mouse testis and epididymis. These modifications were also observed in testis‐specific histone H3 (H3t). Specifically, tri‐methylation was more abundant on H3tK9 than on K9 of other H3 variants.ConclusionsWe introduce a method for rapid, simple, and comprehensive characterization of PTMs on the N‐termini of H3 variants using MALDI‐ISD. This approach provides novel and useful information, including K9 modifications on H3t, which would benefit epigenetic and proteomic research. © 2016 The Authors. Rapid Communications in Mass Spectrometry Published by John Wiley & Sons Ltd.
The Cellular Prion Protein Controls Notch Signaling in Neural Stem/Progenitor Cells
Authors: Martin-Lannerée Séverine , Halliez Sophie , Hirsch Théo Z. , Hernandez-Rapp Julia , Passet Bruno , Tomkiewicz Céline , Villa-Diaz Ana , Torres Juan-Maria , Launay Jean-Marie , Béringue Vincent , Vilotte Jean-Luc , Mouillet-Richard Sophie 
Published: September 2016

Abstract
The prion protein is infamous for its involvement in a group of neurodegenerative diseases known as Transmissible Spongiform Encephalopathies. In the longstanding quest to decipher the physiological function of its cellular isoform, PrPC, the discovery of its participation to the self-renewal of hematopoietic and neural stem cells has cast a new spotlight on its potential role in stem cell biology. However, still little is known on the cellular and molecular mechanisms at play. Here, by combining in vitro and in vivo murine models of PrPC depletion, we establish that PrPC deficiency severely affects the Notch pathway, which plays a major role in neural stem cell maintenance. We document that the absence of PrPC in a neuroepithelial cell line or in primary neurospheres is associated with drastically reduced expression of Notch ligands and receptors, resulting in decreased levels of Notch target genes. Similar alterations of the Notch pathway are recovered in the neuroepithelium of Prnp−/− embryos during a developmental window encompassing neural tube closure. In addition, in line with Notch defects, our data show that the absence of PrPC results in altered expression of Nestin and Olig2 as well as N-cadherin distribution. We further provide evidence that PrPC controls the expression of the epidermal growth factor receptor (EGFR) downstream from Notch. Finally, we unveil a negative feedback action of EGFR on both Notch and PrPC. As a whole, our study delineates a molecular scenario through which PrPC takes part to the self-renewal of neural stem and progenitor cells.