bluuebunny/crossref_metadata_2025_split huggingface dataset:
Connecting ocean heat transport changes from the midlatitudes to the Arctic Ocean
Authors: Nummelin Aleksi , Li Camille , Hezel Paul J. 
Published: January 2017

AbstractUnder greenhouse warming, climate models simulate a weakening of the Atlantic Meridional Overturning Circulation and the associated ocean heat transport at midlatitudes but an increase in the ocean heat transport to the Arctic Ocean. These opposing trends lead to what could appear to be a discrepancy in the reported ocean contribution to Arctic amplification. This study clarifies how ocean heat transport affects Arctic climate under strong greenhouse warming using a set of the 21st century simulations performed within the Coupled Model Intercomparison Project. The results suggest that a future reduction in subpolar ocean heat loss enhances ocean heat transport to the Arctic Ocean, driving an increase in Arctic Ocean heat content and contributing to the intermodel spread in Arctic amplification. The results caution against extrapolating the forced oceanic signal from the midlatitudes to the Arctic.
North Pacific atmospheric rivers and their influence on western North America at the Last Glacial Maximum
Authors: Lora Juan M. , Mitchell Jonathan L. , Risi Camille , Tripati Aradhna E. 
Published: January 2017

AbstractSouthwestern North America was wetter than present during the Last Glacial Maximum. The causes of increased water availability have been recently debated, and quantitative precipitation reconstructions have been underutilized in model‐data comparisons. We investigate the climatological response of North Pacific atmospheric rivers to the glacial climate using model simulations and paleoclimate reconstructions. Atmospheric moisture transport due to these features shifted toward the southeast relative to modern. Enhanced southwesterly moisture delivery between Hawaii and California increased precipitation in the southwest while decreasing it in the Pacific Northwest, in agreement with reconstructions. Coupled climate models that are best able to reproduce reconstructed precipitation changes simulate decreases in sea level pressure across the eastern North Pacific and show the strongest southeastward shifts of moisture transport relative to a modern climate. Precipitation increases of ∼1 mm d−1, due largely to atmospheric rivers, are of the right magnitude to account for reconstructed pluvial conditions in parts of southwestern North America during the Last Glacial Maximum.
Improved water balance component estimates through joint assimilation of GRACE water storage and SMOS soil moisture retrievals
Authors: Tian Siyuan , Tregoning Paul , Renzullo Luigi J. , van Dijk Albert I. J. M. , Walker Jeffrey P. , Pauwels Valentijn R. N. , Allgeyer Sébastien 
Published: January 2017

AbstractThe accuracy of global water balance estimates is limited by the lack of observations at large scale and the uncertainties of model simulations. Global retrievals of terrestrial water storage (TWS) change and soil moisture (SM) from satellites provide an opportunity to improve model estimates through data assimilation. However, combining these two data sets is challenging due to the disparity in temporal and spatial resolution at both vertical and horizontal scale. For the first time, TWS observations from the Gravity Recovery and Climate Experiment (GRACE) and near‐surface SM observations from the Soil Moisture and Ocean Salinity (SMOS) were jointly assimilated into a water balance model using the Ensemble Kalman Smoother from January 2010 to December 2013 for the Australian continent. The performance of joint assimilation was assessed against open‐loop model simulations and the assimilation of either GRACE TWS anomalies or SMOS SM alone. The SMOS‐only assimilation improved SM estimates but reduced the accuracy of groundwater and TWS estimates. The GRACE‐only assimilation improved groundwater estimates but did not always produce accurate estimates of SM. The joint assimilation typically led to more accurate water storage profile estimates with improved surface SM, root‐zone SM, and groundwater estimates against in situ observations. The assimilation successfully downscaled GRACE‐derived integrated water storage horizontally and vertically into individual water stores at the same spatial scale as the model and SMOS, and partitioned monthly averaged TWS into daily estimates. These results demonstrate that satellite TWS and SM measurements can be jointly assimilated to produce improved water balance component estimates.
Anaerobe‐Inspired Anticancer Nanovesicles
Authors: Qian Chenggen , Feng Peijian , Yu Jicheng , Chen Yulei , Hu Quanyin , Sun Wujin , Xiao Xuanzhong , Hu Xiuli , Bellotti Adriano , Shen Qun‐Dong , Gu Zhen 
Published: January 2017

AbstractAnaerobic bacteria, such as Clostridium and Salmonella, can selectively invade and colonize in tumor hypoxic regions (THRs) and deliver therapeutic products to destroy cancer cells. Herein, we present an anaerobe nanovesicle mimic that can not only be activated in THRs but also induce hypoxia in tumors by themselves. Moreover, inspired by the oxygen metabolism of anaerobes, we construct a light‐induced hypoxia‐responsive modality to promote dissociation of vehicles and activation of bioreductive prodrugs simultaneously. In vitro and in vivo experiments indicate that this anaerobe‐inspired nanovesicle can efficiently induce apoptotic cell death and significantly inhibit tumor growth. Our work provides a new strategy for engineering stimuli‐responsive drug delivery systems in a bioinspired and synergistic fashion.
Encapsulation and Dynamic Behavior of Methanol and Formaldehyde inside Open‐Cage C60 Derivatives
Authors: Futagoishi Tsukasa , Murata Michihisa , Wakamiya Atsushi , Murata Yasujiro 
Published: January 2017

AbstractMethanol (CH3OH) and formaldehyde (H2CO) molecules were inserted into an open‐cage C60 derivative with a large opening, under high‐pressure and high‐temperature conditions in solution. Isolation of their molecular complexes in pure form was achieved by the use of recycling HPLC with Buckyprep columns. 1H NMR spectroscopy, single‐crystal X‐ray diffraction studies, and DFT calculations revealed the orientation of the encapsulated CH3OH and H2CO, both in solution and in the solid state, and the results show that the CH3 group of the CH3OH and the carbonyl group of the H2CO point to the bottom of the cages. Furthermore, the dynamic behavior of the CH3OH and H2CO were studied at the molecular level.
Batch and Continuous‐Flow One‐Pot Processes using Amine Diazotization to Produce Silylated Diazo Reagents
Authors: Audubert Clément , Gamboa Marin Oscar Javier , Lebel Hélène 
Published: January 2017

AbstractA novel synthesis of trimethylsilyldiazomethane (TMSCHN2) by diazotization of trimethylsilylmethylamine (TMSCH2NH2) is reported using batch and continuous flow synthesis. The latter affords a daily production of 275 g (2.4 mol) of TMSCHN2. Other silylated methylamines were also successfully reacted under the developed reaction conditions to furnish various silicon‐bearing diazomethane reagents. The applicability of the process is highlighted by disclosure of batch and continuous flow one‐pot esterification and 1,3‐dipolar cycloaddition processes. Furthermore, the high‐yielding esterification of carboxylic acids with silylated and substituted methylamines in continuous flow is disclosed. Finally, work‐up and purification procedures are reported for the preparation of a 2‐MeTHF solution of TMSCHN2, which can be used in rhodium‐catalyzed methylenation and homologation reactions.
Mechanistic Investigations of Two Bacterial Diterpene Cyclases: Spiroviolene Synthase and Tsukubadiene Synthase
Authors: Rabe Patrick , Rinkel Jan , Dolja Etilia , Schmitz Thomas , Nubbemeyer Britta , Luu T. Hoang , Dickschat Jeroen S. 
Published: January 2017

AbstractThe mechanisms of two diterpene cyclases from streptomycetes—one with an unknown product that was identified as the spirocyclic hydrocarbon spiroviolene and one with the known product tsukubadiene—were investigated in detail by isotope labeling experiments. Although the structures of the products were very different, the cyclization mechanisms of both enzymes proceed through the same initial cyclization reactions, before they diverge towards the individual products, which is reflected in the close phylogenetic relationship of the enzymes.
A Cationic Unsaturated Platinum(II) Complex that Promotes the Tautomerization of Acetylene to Vinylidene
Authors: Ortega‐Moreno Laura , Peloso Riccardo , López‐Serrano Joaquín , Iglesias‐Sigüenza Javier , Maya Celia , Carmona Ernesto 
Published: January 2017

AbstractComplex [PtMe2(PMe2Ar
)] (1), which contains a tethered terphenyl phosphine (Ar
=2,6‐(2,6‐iPr2C6H3)2C6H3), reacts with [H(Et2O)2]BArF (BArF−=B[3,5‐(CF3)2C6H3]4−) to give the solvent (S) complex [PtMe(S)(PMe2Ar
)]+ (2⋅S). Although the solvent molecule is easily displaced by a Lewis base (e.g., CO or C2H4) to afford the corresponding adducts, treatment of 2⋅S with C2H2 yielded instead the allyl complex [Pt(η3‐C3H5)(PMe2Ar
)]+ (6) via the alkyne intermediate [PtMe(η2‐C2H2)(PMe2Ar
)]+ (5). Deuteration experiments with C2D2, and kinetic and theoretical investigations demonstrated that the conversion of 5 into 6 involves a PtII‐promoted HC≡CH to :C=CH2 tautomerization in preference over acetylene migratory insertion into the Pt−Me bond.
Tetrel bonds, penta‐ and hexa‐coordinated tin and lead centres
Authors: Grabowski Sławomir J. 
Published: January 2017

A tetrel bond – an interaction between a Group 14 element acting as Lewis acid centre and an electron‐donating moiety – is analysed for ZF4(Z = Sn, Pb) complexes with NH3and HCN species. MP2/aug‐cc‐pVTZ calculations were performed and supported by results of the quantum theory of atoms in molecules. The results of calculations show that the tetrel centre may be considered as a pentavalent one if ZF4interacts with one NH3or HCN ligand or even as a hexavalent centre if it interacts with two ligands; thus the hypervalency phenomenon is discussed for the complexes analysed here. The theoretical analysis is supported by a discussion of the crystal structures containing the SnF4fragment; these structures are characterized by a hexa‐coordinated tin centre.
A novel polymer composite with a small optical band gap: New approaches for photonics and optoelectronics
Authors: Aziz Shujahadeen B. , Abdullah Omed Gh. , Rasheed Mariwan A. 
Published: January 2017

ABSTRACTIn this article, a novel approach is presented for the preparation of small band‐gap polymer composites. The intensity of the surface plasmon resonance (SPR) peak increased from 0.64 to 3.2 for the chitosan–silver nitrate sample containing 1 wt % titanium dioxide (TiO2). In the cases of 3 and 5 wt % added TiO2 particles, the SPR peak disappeared. A wide shift of the absorption coefficient from 4.36 to 0.93 eV was observed. The smallest optical band gap of about 0.98 eV was achieved for the sample containing 3 wt % TiO2 filler. The wide shift in the optical band gap was interpreted on the bases of the formation of metal‐induced gap states between the metallic silver particles and the TiO2 structure. A novel approach was achieved that was an alternative method to Tauc's semi‐empirical model for band‐gap estimation. The optical dielectric loss parameter for the band‐gap study was easily calculated and analyzed, whereas it unfolded a deep knowledge from the physics point of view. The established quantum mechanical expression revealed a strong relationship between the energy band gap and the optical dielectric loss parameter. The scanning electron microscopy results show the leakage of white aggregated silver particles and distinguishable intense peaks of metallic silver particles between 3 and 3.3 keV appearing in the energy‐dispersive X‐ray spectrum. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44847.
Modeling of tensile strength in polymer particulate nanocomposites based on material and interphase properties
Authors: Zare Yasser , Rhee Kyong Yop , Park Soo‐Jin 
Published: January 2017

ABSTRACTIn this work, a simple model is presented to determine tensile/yield strength in polymer nanocomposites containing spherical nanofillers based on material and interphase properties. The accuracy of the proposed model is estimated by comparing with the experimental strength of several samples from the literature. In addition, the effects of thickness (t) and tensile strength (σi) of the interphase as well as the radius (R) and volume fraction (
) of the nanoparticles on the tensile strength are explained according to the proposed model. The high level of nanoparticle strength (more than 100 GPa) commonly leads to overestimates of the tensile strength of nanocomposites, whereas the assumption of correct interphase properties produces accurate calculations. The tensile strength of nanocomposites does not change at σi < 38 MPa, while it increases by 140% at t = 20 nm and σi = 90 MPa. However, a maximum 14% growth in tensile strength is obtained with the optimum values of
= 0.04 and R = 10 nm. Therefore, the concentration and size of the nanoparticles have minor effects on the tensile strength of nanocomposites, but the major influences of interphase thickness and strength are pronounced. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44869.
A congested and dwell time dependent transit corridor assignment model
Authors: Alonso Borja , Muñoz Juan Carlos , Ibeas Ángel , Moura José Luis 
Published: January 2017

SummaryThis research proposes an equilibrium assignment model for congested public transport corridors in urban areas. In this model, journey times incorporate the effect of bus queuing on travel times and boarding and alighting passengers on dwell times at stops. The model also considers limited bus capacity leading to longer waiting times and more uncomfortable journeys. The proposed model is applied to an example network, and the results are compared with those obtained in a recent study. This is followed by the analysis and discussion of a real case application in Santiago de Chile. Finally, different boarding and alighting times and different vehicle types are evaluated. In all cases, demand on express services tends to be underestimated by using constant dwell time assignment models, leading to potential planning errors for these lines. The results demonstrate the importance of considering demand dependent dwell times in the assignment process, especially at high demand levels when the capacity constraint should also be considered. Copyright © 2017 John Wiley & Sons, Ltd.
Randomized clinical trial of open versus laparoscopic left lateral hepatic sectionectomy within an enhanced recovery after surgery programme (ORANGE II study)
Authors: Wong-Lun-Hing E M , van Dam R M , van Breukelen G J P , Tanis P J , Ratti F , van Hillegersberg R , Slooter G D , de Wilt J H W , Liem M S L , de Boer M T , Klaase J M , Neumann U P , Aldrighetti L A , Dejong C H C , Terkivatan T , Verhoef C , Porte R J , Haverman J W , Busch O R , Boermeester M A , Besselink M G , Molenaar I Q , Borel Rinkes I H M , Bosscha K , van der Vorst J R , de Waard J W D , Gerhards M F , Patijn G A , Schmeding M , Primrose J N , Abu Hilal M , Dagher I , Laurent A , Topal B , Edwin B , Lassen K , van Duyn E B , Ambergen A W , Olde Damink S W , Bemelmans M H 
Published: January 2017

Abstract

Background
Laparoscopic left lateral sectionectomy (LLLS) has been associated with shorter hospital stay and reduced overall morbidity compared with open left lateral sectionectomy (OLLS). Strong evidence has not, however, been provided.

Methods
In this multicentre double-blind RCT, patients (aged 18–80 years with a BMI of 18–35 kg/m2 and ASA fitness grade of III or below) requiring left lateral sectionectomy (LLS) were assigned randomly to OLLS or LLLS within an enhanced recovery after surgery (ERAS) programme. All randomized patients, ward physicians and nurses were blinded to the procedure undertaken. A parallel prospective registry (open non-randomized (ONR) versus laparoscopic non-randomized (LNR)) was used to monitor patients who were not enrolled for randomization because of doctor or patient preference. The primary endpoint was time to functional recovery. Secondary endpoints were length of hospital stay (LOS), readmission rate, overall morbidity, composite endpoint of liver surgery-specific morbidity, mortality, and reasons for delay in discharge after functional recovery.

Results
Between January 2010 and July 2014, patients were recruited at ten centres. Of these, 24 patients were randomized at eight centres, and 67 patients from eight centres were included in the prospective registry. Owing to slow accrual, the trial was stopped on the advice of an independent Data and Safety Monitoring Board in the Netherlands. No significant difference in median (i.q.r.) time to functional recovery was observed between laparoscopic and open surgery in the randomized or non-randomized groups: 3 (3–5) days for OLLSversus 3 (3–3) days for LLLS; and 3 (3–3) days for ONRversus 3 (3–4) days for LNR. There were no significant differences with regard to LOS, morbidity, reoperation, readmission and mortality rates.

Conclusion
This RCT comparing open and laparoscopic LLS in an ERAS setting was not able to reach a conclusion on time to functional recovery, because it was stopped prematurely owing to slow accrual. Registration number: NCT00874224 (https://www.clinicaltrials.gov).
A UPLC–MS/MS method for analysis of vancomycin in human cerebrospinal fluid and comparison with the chemiluminescence immunoassay
Authors: Mei Shenghui , Wang Jiaqing , Zhu Leting , Chen Ruiling , Li Xingang , Chen Kai , Chen Guangqiang , Zhou Jianxin , Wang Qiang , Zhao Zhigang 
Published: January 2017

AbstractVancomycin (VCM) is clinically used in treating patients with postoperative intracranial infections. The cerebrospinal fluid (CSF) concentration of VCM varies greatly among patients. To guide the dosage regimens, monitoring of VCM in CSF is needed. However a method for analysis of VCM in human CSF is lacking. An ultraperformance liquid chromatography tandem mass spectrometry (UPLC–MS/MS) was developed and validated for analysis of VCM in human CSF, and the agreement of UPLC–MS/MS and chemiluminescence immunoassay (CLIA) in the analysis of CSF VCM was evaluated. The ion transitions were m/z 725.5 > 144.1 for VCM and m/z 455.2 > 308.2 for methotrexate (internal standard). The agreement between UPLC–MS/MS and CLIA was evaluated by Bland–Altman plot in 179 samples. The calibration range of the UPLC–MS/MS method was 1–400 mg/L. The inaccuracy and imprecision were −0.69–10.80% and <4.95%. The internal standard normalized recovery and matrix factor were 86.14–99.31 and 85.84–92.07%, respectively. The measurements of CLIA and UPLC–MS/MS were strongly correlated (r > 0.98). The 95% limit of agreement of the ratio of CLIA to UPLC‐MS/MS was 61.66–107.40%. Further studies are warranted to confirm the results.
Linear and Cyclic Depsipeptidomimetics with β‐Lactam Cores: A Class of New αvβ3 Integrin Receptor Inhibitors
Authors: Zabala‐Uncilla Nerea , Miranda José I. , Laso Antonio , Fernández Xavier , Ganboa Jose I. , Palomo Claudio 
Published: January 2017

AbstractThe αvβ3 integrin receptor plays an important role in tumor metastasis and tumor‐induced angiogenesis. The inhibition of this receptor with diverse ligands, antibodies, or cyclic peptides is a promising research field for the treatment of a variety of tumors. The replacement of Phe‐(Me)Val dipeptide by a β‐lactam ring in Cilengitide has led to new products that show higher inhibitory activity than the parent cyclopeptide. In particular, substitution of a peptide bond β‐lactam‐NH‐Asp linkage by a β‐lactam‐O‐Asp ester linkage increases the activity of the new cyclodepsipeptide. In the same way it has been found that open‐chain compounds of the form Asp‐β‐lactam‐Arg can interact with the receptor and inhibit its activity moderately. The integrin inhibitory activity of the synthesized compounds has been established by using the CGH array, a method that appears to be a more reliable trial than the classical adhesion test.
Long‐term follow‐up of arrhythmogenic right ventricular cardiomyopathy patients with an implantable cardioverter‐defibrillator for prevention of sudden cardiac death
Authors: Yin Kang , Ding Ligang , Li Yuqiu , Hua Wei 
Published: January 2017

BackgroundArrhythmogenic right ventricular cardiomyopathy (ARVC) is a rare inherited cardiomyopathy with a high burden of ventricular arrhythmia, which is an important cause of sudden cardiac death (SCD). Implantable cardioverter‐defibrillator (ICD) is believed to be the most reliable management against SCD.HypothesisVentricular arrhythmia does not necessarily confer a poor prognosis in ARVC patients with an ICD.MethodsA total of 39 ARVC patients (34 male) implanted with an ICD at our electrophysiology center and followed up continuously were included in this study. The mean age at diagnosis was 42.1 ± 14.8 years.ResultsThirty‐three patients (84.6%) had suffered ventricular arrhythmia with hemodynamic compromise before ICD implantation. During a median follow‐up of 48.6 months (interquartile range, 32.3–73.3), 3 patients (7.7%) died, 1 of sudden death, 1 of heart failure, and 1 of cerebral infarction. Twenty‐eight patients (71.8%) experienced 540 appropriate ICD interventions. The first appropriate ICD intervention occurred more than 2 years after initial ICD implantation in 5 patients (12.8%). Twelve patients (30.8%) suffered from electrical storm. The event‐free period was significantly shorter in patients who did not have broad precordial T wave inversion ≥V1–V3 (hazard ratio = 0.39, 95% confidence interval: 0.16‐0.96). No significant difference was shown in antiarrhythmic drugs and radiofrequency catheter ablation before ICD implantation between patients with and without appropriate ICD therapies (P > 0.05).ConclusionsRecurrence of sustained ventricular tachycardia/ventricular fibrillation is frequent in high‐risk patients with ARVC. The prognosis is favorable for ARVC patients treated with an ICD for prevention of SCD.