bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cobalt‐Catalyzed Asymmetric Allylation of Cyclic Ketimines
Authors: Wu Liang , Shao Qihang , Yang Guoqiang , Zhang Wanbin 
Published: November 2017

AbstractA CoII/Box‐catalyzed [Box=bis(oxazoline)] enantioselective addition of potassium allyltrifluoroborate to cyclic ketimines was developed, providing the corresponding chiral α‐tertiary amines in high yields and with good enantioselectivity values. Alkoxycarbonyl‐ and alkyl‐substituted saccharin‐derived ketimines are suitable substrates for this allylation reaction. The product can be converted to complex molecules over several simple steps, including a precursor of MK‐0371, which is a kinesin spindle protein inhibitor. In addition, this catalytic system showed a strong positive nonlinear effect.
Conformational Bias by a Removable Silyl Group: Construction of Bicyclo[n.3.1]alkenes by Ring Closing Metathesis
Authors: Lin Minggui , Cai Pei‐Jun , Zeng Zhixiong , Lin Na , Shen Yang , Tang Bin , Li Fan , Chen Chen , Yu Zhi‐Xiang , Zhang Yandong 
Published: November 2017

AbstractHerein, we report a novel strategy based on a conformationally controlled RCM by a removable silyl group, which allows the facile synthesis of various bicyclo[n.3.1]alkenes, especially a set of highly strained bicyclo[5.3.1]alkenes. Further derivatizations of the silyl group and the resultant double bond of bicyclo[5.3.1]undecene 2 f enabled a concise synthesis of A‐B‐C ring skeleton of taxol. Density functional theory (DFT) calculations suggest that the introduction of a bulky silyl group at C‐5 position of the 1,3‐dialkenylcyclohexanol substrates dramatically lowers the energy bias gap between diaxial conformers (to RCM) and diequatorial conformers (to cross metathesis), thereby favoring the expected RCM reaction to give the challenging bridged molecules.
Novel Gold and Silver Carbene Complexes Exert Antitumor Effects Triggering the Reactive Oxygen Species Dependent Intrinsic Apoptotic Pathway
Authors: Iacopetta Domenico , Mariconda Annaluisa , Saturnino Carmela , Caruso Anna , Palma Giuseppe , Ceramella Jessica , Muià Noemi , Perri Mariarita , Sinicropi Maria Stefania , Caroleo Maria Cristina , Longo Pasquale 
Published: November 2017

AbstractCisplatin and other platinum‐based drugs are well‐known valid anticancer drugs. However, during chemotherapy, the presence of numerous side effects and the onset of frequent phenomena of resistance has pushed many research groups to devise new metal‐based compounds holding improved anticancer properties and fewer undesired effects. Amongst the variety of synthesized compounds, significant antiproliferative effects have been obtained by employing organometallic compounds, particularly those based on silver and gold. With this in mind, we synthesized four compounds, two silver complexes and two gold complexes, with good inhibitory effects on the in vitro proliferation of breast and ovarian cancer‐cell models. The antitumor activity of the most active compound, that is, AuL4, was found to be ninefold higher than that of cisplatin, and this compound induced dramatic morphological changes in HeLa cells. AuL4 induced PARP‐1 cleavage, caspases 3/7 and 9 activation, mitochondria disruption, cytochrome c release in cancer‐cell cytoplasm, and the intracellular production of reactive oxygen species. Thus, AuL4 treatment caused cancer‐cell death by the intrinsic apoptotic pathway, whereas no cytotoxic effects were recorded upon treating non‐tumor cell lines. The reported outcomes may be an important contribution to the expanding knowledge of medicinal bio‐organometallic chemistry and enlarge the available anticancer toolbox, offering improved features, such as higher activity and/or selectivity, and opening the way to new discoveries and applications.
Magneto‐Conducting Core/Shell Nanoparticles for Biomedical Applications
Authors: Srinivasan Sumithra Y. , Paknikar Kishore M. , Gajbhiye Virendra , Bodas Dhananjay 
Published: November 2017

AbstractNanocomposites comprising magnetic nanoparticles and conducting polymers (MN‐CPs) are promising multifunctional nanomaterials that exhibit a unique combination of magnetism and electrical conductivity. Magnetic nanoparticles (MNPs) have a high surface area to volume ratio, excellent mechanical strength, and biocompatibility, whereas the conducting polymers are advantageous for their ease of synthesis, environmental stability, biocompatibility, and low cost. Therefore, the MN‐CP nanocomposites having synergistic qualities are being increasingly considered for almost all spheres of biomedical applications including biosensors, environmental remediation, drug delivery, as well as theranostics. In biosensors and purification applications, the magnetic affinity is useful for separation, and electrical transduction is utilized for signal transmission. MN‐CP nanocomposites are also promising in drug‐delivery applications as well since both external magnetic and electrical fields can be employed for targeted and stimuli responsive drug release. The MN‐CP nanocomposites are also potential near‐infrared (NIR) photothermal, magnetothermal, and MRI contrast agents and used for multimodal imaging in cancer diagnostics and therapeutics. MN‐CP nanocomposites are multitalented nanoparticles with unique attributes that make them advantageous over other conventional agents and other nanocomposite systems. The objective of the current review is to provide an overview of the unique properties of these nanocomposites, their synthetic strategies and their potential applications explored so far in the biomedical field.
Foreword to the special issue of the Cray User Group (CUG 2017)
Authors: Michael Scott , He Yun 
Published: November 2017

SummaryThe 10 best papers from 77 submissions to the Cray User Group (CUG) 2017 conference, held in Redmond, Washington, are presented in this issue. Several themes of the conference are highlighted in this group of articles, including the Knight's Landing Architecture, Optimization of I/O, and data analytics.
Effect of Solvents on the Behavior of Lithium and Superoxide Ions in Lithium–Oxygen Battery Electrolytes
Authors: Smirnov Vladimir S. , Kislenko Sergey A. 
Published: November 2017

AbstractThe molecular life of intermediates, namely, O2− and Li+, produced during the discharge of aprotic Li–O2 batteries was investigated by molecular dynamics simulation. This work is of potential interest in the development of new electrolytes for Li–air batteries. We present the results on the structure and stability of the Li+ and O2− solvation shells and the thermodynamics and kinetics of the ion‐association reaction in solvents such as dimethyl sulfoxide (DMSO), dimethoxyethane (DME), and acetonitrile (ACN). The residence time of solvent molecules in the Li+ solvation shell increases with the solvent donor number and is 100 times larger in DMSO than in ACN. In DMSO and DME, the Li+ ion diffuses with its solvation shell as a whole. On the contrary, in ACN it diffuses as a “bare” ion because of weak solvation. The rate constant for the association of the lithium ion with the superoxide anion in DMSO is two orders of magnitude slower than that in ACN due to fact that the free‐energy barrier is 2.5 times larger in DMSO than in ACN. In addition, we show that despite the strong dependence of the Li+ shell stability on donor number, the rate of association does not necessarily correlate with this solvent property.
Multiple mechanisms of early plant community assembly with stochasticity driving the process
Authors: Marteinsdóttir Bryndís , Svavarsdóttir Kristín , Thórhallsdóttir Thóra Ellen 
Published: November 2017

AbstractInitial plant establishment is one of the most critical phases in ecosystem development, where an early suite of physical (environmental filtering), biological (seed limitation, species interactions) and stochastic factors may affect successional trajectories and rates. While functional traits are commonly used to study processes that influence plant community assembly in late successional communities, few studies have applied them to primary succession. The objective here was to determine the importance of these factors in shaping early plant community assembly on a glacial outwash plain, Skeiðarársandur, in SE Iceland using a trait based approach. We used data on vascular plant assemblages at two different spatial scales (community and neighborhood) sampled in 2005 and 2012, and compiled a dataset on seven functional traits linked to species dispersal abilities, establishment, and persistence for all species within these assemblages. Trait‐based null model analyses were used to determine the processes that influenced plant community assembly from the regional species pool into local communities, and to determine if the importance of these processes in community assembly was dependent on local environment or changed with time. On the community scale, for most traits, random processes dominated the assembly from the regional species pool. However, in some communities, there was evidence of non‐random assembly in relation to traits linked to species dispersal abilities, persistence, and establishment. On the neighborhood scale, assembly was mostly random. The relative importance of different processes varied spatially and temporally and the variation was linked to local soil conditions. While stochasticity dominated assembly patterns of our early successional communities, there was evidence of both seed limitation and environmental filtering. Our results indicated that as soil conditions improved, environmental constraints on assembly became weaker and the assembly became more dependent on species availability.
Determination of tetracyclines in human urine samples by capillary electrophoresis in combination with field amplified sample injection
Authors: Moreno‐González David , Krulišová Markéta , Gámiz‐Gracia Laura , García‐Campaña Ana M. 
Published: November 2017

AbstractA sensitive method using CZE‐UV detection has been developed for the determination of five tetracycline antibiotics in human urine samples. To improve the sensitivity of the method, an on‐line preconcentration strategy, named field‐amplified sample injection, has been developed, based on the electrokinetic injection of the sample, which requires only a 1:100 dilution with sample solvent before injection. Under optimum conditions, sensitivity enhancement factors ranged from 450 to 800 for the studied compounds. The applicability of the proposed method was demonstrated by the determination of these antibiotics in spiked urine samples. The limits of quantification were lower than 0.8 mg/L and the precision (intra‐ and inter‐day), expressed as %RSD was below 14%. Recoveries ranged from 92.1 to 96.7%. Thus, the proposed procedure is a simple, fast and efficient strategy which could be used as therapeutic drug monitoring in human urine samples.
Experimental and numerical study of interactions between sprinklers and natural smoke vents
Authors: Trévisan Nicolas , Boulet Pascal , Acem Zoubir , Jenft Alexandre , Pianet Grégoire , Breton Arnaud , Muller Armelle 
Published: November 2017

AbstractReal scale experimentations have been conducted in order to investigate interactions that may occur in a compartment where sprinklers and Smoke and Heat Exhaust Vent Systems coexist. Fuel oil spray was used as fire source with steady heat release rate of 400 and 800 kW. Both sprinkler system and natural Smoke and Heat Exhaust Vent Systems were designed according to the French standards. Effect of vent on sprinkler activation time was studied. An analysis of the temperature field inside the compartment was conducted while vent was opened prior or after sprinkler activation. Simulations of the experiments were also carried out with Fire Dynamics Simulator v.6 for validation purpose and also to provide supplementary data regarding soot flow rate and energy extracted at the vent.
High sensitivity of FISH analysis in detecting homozygous SMARCB1 deletions in poorly differentiated chordoma: a clinicopathologic and molecular study of nine cases
Authors: Owosho Adepitan A. , Zhang Lei , Rosenblum Marc K , Antonescu Cristina R. 
Published: November 2017

AbstractPoorly differentiated chordomas (PDCs) represent a rare subset of notochordal neoplasms, affecting primarily children and associated with an aggressive outcome. In contrast to conventional chordomas, PDC show solid growth and increased cellularity, cytologic atypia, and mitotic activity. Recent studies have shown that PDCs are characterized by recurrent deletions encompassing the SMARCB1 locus, resulting in consistent loss of nuclear SMARCB1 expression. Thus PDC joined the expanding family of SMARCB1‐deficient tumors characterized by various SMARCB1 structural abnormalities, ranging from large homozygous deletions to small intragenic mutations. In the present study, we investigate the SMARCB1 abnormalities in a group of nine well‐characterized PDCs and to establish the sensitivity of the FISH method in detecting these changes in the clinical setting. We further assessed the pathologic features and clinical behavior of this cohort managed at our referral center over a 20‐year period. The mean age at diagnosis was 10 years‐of‐age. All except one case occurred in the cranial region. All demonstrated strong nuclear expression of brachyury and loss of SMARCB1 expression. FISH identified homozygous SMARCB1 deletions in all except one case; additionally two cases revealed a heterozygous EWSR1 locus co‐deletion. Clinical follow‐up information was available in five patients. Two patients presented with distant metastases at initial diagnosis. Two of the three remaining patients with primary disease failed both locally and distantly after multimodality therapy. We conclude that PDCs are highly aggressive tumors and the dominant mechanism of loss of SMARCB1 expression is through large, homozygous SMARCB1 deletions that can be readily detected by FISH.
Colorectal cancer susceptibility loci as predictive markers of rectal cancer prognosis after surgery
Authors: Hu Yue , Gaedcke Jochen , Emons Georg , Beissbarth Tim , Grade Marian , Jo Peter , Yeager Meredith , Chanock Stephen J. , Wolff Hendrik , Camps Jordi , Ghadimi B. Michael , Ried Thomas 
Published: November 2017

AbstractTo understand the molecular mechanism of rectal cancer and develop markers for disease prognostication, we generated and explored a dataset from 243 rectal cancer patients by gene expression microarray analysis of cancer samples and matched controls, and SNP‐arrays of germline DNA. We found that two of the loci most strongly linked with colorectal cancer (CRC) risk, 8q24 (upstream of MYC) and 18q21 (in the intron of SMAD7), as well as 20q13 (in the intron of LAMA5), are tightly associated with the prognosis of rectal cancer patients. For SNPs on 18q21 (rs12953717 and rs4464148) and 20q13 (rs4925386), alleles that correlate with higher risk for the development of CRC are associated with shorter disease free survival (DFS). However, for rs6983267 on 8q24, the low risk allele is associated with a higher risk for recurrence and metastasis after surgery, and importantly, is strongly correlated with the resistance of CRC cell lines to chemoradiotherapy (CRT). We also found that although MYC expression is dramatically increased in cancer, patients with higher levels of MYC have a better prognosis. The expression of SMAD7 is weakly correlated with DFS. Notably, the presence of the 8q24 and 18q21 SNP alleles is not correlated with expression levels of MYC and SMAD7. rs4464148, and probably rs6983267 and rs4925386, are linked with overall survival time of patients. In conclusion, we show that several CRC risk SNPs detect subpopulations of rectal cancer patients with poor prognosis, and that rs6983267 probably affects prognosis through interfering with the resistance of cancer cells to CRT.
Zircon U‐Pb geochronology and geochemistry of the metabasite and gabbro: Implications for the Neoproterozoic and Paleozoic tectonic settings of the Qinzhou Bay‐Hangzhou Bay suture zone, South China
Authors: Yu Pengpeng , Zheng Yi , Zhou Yongzhang , Chen Binghui , Niu Jia , Yang Wei 
Published: November 2017

The Qinzhou Bay‐Hangzhou Bay Suture Zone (QHSZ) lies between the northwestern Yangtze Block and the southeastern Cathaysia Block in South China. An integrated zircon U‐Pb age, whole‐rock and mineral geochemical analyses have been enabled for understanding the Neoproterozoic and early Paleozoic geological evolution of the QHSZ. Zircon U‐Pb dating reveals that the Guizi metabasite and Zhuya gabbro were formed at 948 ± 11 Ma and 450.8 ± 2.9 Ma, respectively. The Guizi metabasites are characterized by Nb enrichments (8.18–16.11 ppm) with high Nb/La (0.76–0.98) and Nb/U (17.86–25.65) ratios. The samples are also LREE/HREE ([La/Yb]N = 2.66–3.29) and LILEs (Rb, Th, U and Pb) enriched with weakly depleted HFSEs (Nb, P and Ti), resembling the Nb‐enriched basalts. These geochemical signatures were likely to be originated from a newly subducted slab. Elemental contrasts illustrate that the Guizi metabasites are geochemically consistent with the Neoproterozoic Nb‐enriched basalts along the Wuyi‐Yunkai Domain, South China. Age and elemental characteristics of the Guizi samples suggest an earliest Neoproterozoic subduction within the QHSZ. The Zhuya gabbro samples have high contents of MgO (11.23–14.48%), Cr (520.8–782.7 ppm) and Ni (126.1–203.7 ppm), (La/Yb)N = 1.89–2.41, Eu/Eu* = 0.84–0.90, positive LILEs (Rb, Th, Sr and Pb) anomalies and negative HFSEs (Nb, P and Ti) anomalies. Clinopyroxene geochemical data show a significant arc cumulates trend. They were considered to be derived from an E‐MORB‐like source modified by subduction‐related fluids. Geochemical modelling indicates that a mixture of the Neoproterozoic mafic magma and SCB sediments (20–40%) can match the elemental and Sm‐Nd isotopic compositions of the Zhuya gabbros, which suggests the involvement of Neoproterozoic subduction‐modified mantle. Combined with regional geological and geochemical data, it is concluded that the Yangtze and Cathaysia blocks were likely sutured along the QHSZ forming an earliest Neoproterozoic arc‐back‐arc system, and the early Paleozoic mafic rocks are dominantly remelting products of the Neoproterozoic subduction modified mantle.
Synthetic AAV/CRISPR vectors for blocking HIV‐1 expression in persistently infected astrocytes
Authors: Kunze Christine , Börner Kathleen , Kienle Eike , Orschmann Tanja , Rusha Ejona , Schneider Martha , Radivojkov‐Blagojevic Milena , Drukker Micha , Desbordes Sabrina , Grimm Dirk , Brack‐Werner Ruth 
Published: November 2017

AbstractAstrocytes, the most abundant cells in the mammalian brain, perform key functions and are involved in several neurodegenerative diseases. The human immunodeficiency virus (HIV) can persist in astrocytes, contributing to the HIV burden and neurological dysfunctions in infected individuals. While a comprehensive approach to HIV cure must include the targeting of HIV‐1 in astrocytes, dedicated tools for this purpose are still lacking. Here we report a novel Adeno‐associated virus‐based vector (AAV9P1) with a synthetic surface peptide for transduction of astrocytes. Analysis of AAV9P1 transduction efficiencies with single brain cell populations, including primary human brain cells, as well as human brain organoids demonstrated that AAV9P1 targeted terminally differentiated human astrocytes much more efficiently than neurons. We then investigated whether AAV9P1 can be used to deliver HIV‐inhibitory genes to astrocytes. To this end we generated AAV9P1 vectors containing genes for HIV‐1 proviral editing by CRISPR/Cas9. Latently HIV‐1 infected astrocytes transduced with these vectors showed significantly diminished reactivation of proviruses, compared with untransduced cultures. Sequence analysis identified mutations/deletions in key HIV‐1 transcriptional control regions. We conclude that AAV9P1 is a promising tool for gene delivery to astrocytes and may facilitate inactivation/destruction of persisting HIV‐1 proviruses in astrocyte reservoirs.
Astrocytic and neuronal oxidative metabolism are coupled to the rate of glutamate–glutamine cycle in the tree shrew visual cortex
Authors: Sonnay Sarah , Poirot Jordan , Just Nathalie , Clerc Anne‐Catherine , Gruetter Rolf , Rainer Gregor , Duarte João M. N. 
Published: November 2017

AbstractAstrocytes play an important role in glutamatergic neurotransmission, namely by clearing synaptic glutamate and converting it into glutamine that is transferred back to neurons. The rate of this glutamate–glutamine cycle (VNT) has been proposed to couple to that of glucose utilization and of neuronal tricarboxylic acid (TCA) cycle. In this study, we tested the hypothesis that glutamatergic neurotransmission is also coupled to the TCA cycle rate in astrocytes. For that we investigated energy metabolism by means of magnetic resonance spectroscopy (MRS) in the primary visual cortex of tree shrews (Tupaia belangeri) under light isoflurane anesthesia at rest and during continuous visual stimulation. After identifying the activated cortical volume by blood oxygenation level‐dependent functional magnetic resonance imaging, 1H MRS was performed to measure stimulation‐induced variations in metabolite concentrations. Relative to baseline, stimulation of cortical activity for 20 min caused a reduction of glucose concentration by −0.34 ± 0.09 µmol/g (p < 0.001), as well as a −9% ± 1% decrease of the ratio of phosphocreatine‐to‐creatine (p < 0.05). Then 13C MRS during [1,6‐13C]glucose infusion was employed to measure fluxes of energy metabolism. Stimulation of glutamatergic activity, as indicated by a 20% increase of VNT, resulted in increased TCA cycle rates in neurons by 12% (
, p < 0.001) and in astrocytes by 24% (
, p = 0.007). We further observed linear relationships between VNT and both
and
. Altogether, these results suggest that in the tree shrew primary visual cortex glutamatergic neurotransmission is linked to overall glucose oxidation and to mitochondrial metabolism in both neurons and astrocytes.
Management of chyle leakage after thyroidectomy, cervical lymph node dissection, in patients with thyroid cancer
Authors: Park Inhye , Her Nayoon , Choe Jun‐Ho , Kim Jee Soo , Kim Jung‐Han 
Published: November 2017

AbstractBackgroundThe purpose of this study was to evaluate the incidence and pattern of chyle leakage after thyroidectomy and/or cervical lymph node dissection and to establish management protocols for chyle leakage.MethodsPatients who underwent surgical management for thyroid cancer were analyzed retrospectively.ResultsFor this study, 131 patients with chyle leakage were identified; the overall incidence was 0.9%. Of them, 43.7% of patients underwent central neck dissection without lateral neck dissection, and chyle leakage was easily controlled with conservative management. Patients whose chyle drainage was reduced by >50% after dietary modification had a significantly shorter hospital stay (P < .001); NPO was the most effective dietary modification.ConclusionThe occurrence of chyle leakage after central compartment dissection even without lateral neck dissection was not rare, but was easily controlled with conservative management. Surgical management should be considered if the drainage amount does not decrease by >50% of the original amount of the day of detection after 2 days of NPO.