bluuebunny/crossref_metadata_2025_split huggingface dataset:
Behaviors of Leucine and Isoleucine in Ion Mobility‐Quadrupole Time of Flight Mass Spectrometry
Authors: Guo Su , Zhang Fang , Wang Haoyang , Zhang Manyu , Zhang Zhixu , Zhang Xiang , Guo Yinlong 
Published: November 2015

AbstractIn this study, ion mobility separation coupled with tandem mass spectrometry (IM‐tandem MS) was utilized to investigate the ionization behaviors of two amino acids including leucine and isoleucine. Under the electrospray ionization (ESI) mode, two protonation sites in each molecular sturcture caused two forms of protomer. One arose from the amino being protonated (amino‐protomer) and the other from the carboxyl being protonated (carboxyl‐protomer). In the two‐dimensional (drift time, m/z) spectrum, the protomers had the same mass, but the distinguishable drift times and fragmentation patterns. For the characterization purpose, the theoretical collision cross section (CCS) values of the protomers were calculated and proven to be consistent with the experimental. Moreover, the quantified relationship between the amino acids and their protomers was evaluated. It showed that the abundance of the carboxyl‐protomer was proportional to the concentration of the amino acid, whereas that of the amino‐protomer did not have the same trend. Under the atmospheric pressure chemical ionization (APCI) mode, only the carboxyl‐protomer was observed. In addition, the amino‐protomer and the cluster ions observed under ESI were absent completely. The results demonstrate that the ionization mode impacts heavily on the ionization behaviors of leucine and isoleucine not only on the form of therir protomers but also on the quantified relationship.
Cyclic and Macrocyclic Peptides as Chemical Tools To Recognise Protein Surfaces and Probe Protein–Protein Interactions
Authors: Cardote Teresa A. F. , Ciulli Alessio 
Published: November 2015

AbstractTargeting protein surfaces and protein–protein interactions (PPIs) with small molecules is a frontier goal of chemical biology and provides attractive therapeutic opportunities in drug discovery. The molecular properties of protein surfaces, including their shallow features and lack of deep binding pockets, pose significant challenges, and as a result have proved difficult to target. Peptides are ideal candidates for this mission due to their ability to closely mimic many structural features of protein interfaces. However, their inherently low intracellular stability and permeability and high in vivo clearance have thus far limited their biological applications. One way to improve these properties is to constrain the secondary structure of linear peptides by cyclisation. Herein we review various classes of cyclic and macrocyclic peptides as chemical probes of protein surfaces and modulators of PPIs. The growing interest in this area and recent advances provide evidence of the potential of developing peptide‐like molecules that specifically target these interactions.
Pharmacodynamic markers and clinical results from the phase 2 study of the SMAC mimetic birinapant in women with relapsed platinum‐resistant or ‐refractory epithelial ovarian cancer
Authors: Noonan Anne M. , Bunch Kristen P. , Chen Jin‐Qiu , Herrmann Michelle A. , Lee Jung‐Min , Kohn Elise C. , O'Sullivan Ciara C. , Jordan Elizabeth , Houston Nicole , Takebe Naoko , Kinders Robert J. , Cao Liang , Peer Cody J. , Figg W. Douglas , Annunziata Christina M. 
Published: November 2015

BACKGROUNDInhibitors of apoptosis proteins (IAPs) are key regulators of apoptosis and are frequently dysregulated in ovarian cancer. It was hypothesized that blocking IAPs with birinapant would increase tumor cell death and result in objective responses for women with platinum‐refractory and ‐resistant ovarian cancer.METHODSIn this phase 2, Cancer Therapy Evaluation Program–sponsored study, patients received birinapant at 47 mg/m2 on days 1, 8, and 15 of 28‐day cycles. Pharmacokinetics were obtained during cycle 1. Plasma, peripheral blood mononuclear cells (PBMCs), and percutaneous tumor biopsy samples were collected before cycle 1 and after 6 weeks. The primary endpoint was an objective response or progression‐free survival lasting greater than 6 months in a mini‐max design.RESULTSEleven patients received birinapant; after this, accrual was terminated for lack of a clinical benefit. Birinapant was well tolerated, with predominantly grade 2 adverse events and 1 case of grade 3 lymphopenia. Pretreatment biopsy samples and PBMCs were collected; paired posttreatment biopsy samples and PBMCs were collected from 7 and 10 patients, respectively. There was consistent downregulation of cellular inhibitor of apoptosis protein 1 in tumors (P = .016) and PBMCs (P < .01). Procaspase 3 also decreased in tumors (P = .031) and PBMCs (P < .01); cleaved caspase 3 colocalized with H2A histone family member X (γ‐H2AX) in tumors after birinapant exposure. Peripheral T and B cells decreased significantly after treatment, but natural killer cells did not (P = .04, P = .05, and P = .43, respectively).CONCLUSIONSBirinapant shows consistent target suppression in vivo without single‐agent antitumor activity in this small population. Single‐agent pharmacodynamics are necessary to understand the drug's mechanism of action and set the stage for rational combination therapy. Preclinical studies are ongoing to identify optimal synergistic combinations for future clinical trials. Cancer 2016;122:588–597. © 2015 American Cancer Society.
Physical activity communication between oncology providers and patients with early‐stage breast, colon, or prostate cancer
Authors: Nyrop Kirsten A. , Deal Allison M. , Williams Grant R. , Guerard Emily J. , Pergolotti Mackenzi , Muss Hyman B. 
Published: November 2015

BACKGROUNDNational guidelines recommend that patients with a cancer diagnosis engage in regular physical activity to reduce cancer‐related fatigue, maintain quality of life and physical function, and improve overall prognosis and survival. This study investigates oncology provider communications about physical activity during routine clinic visits with patients with early‐stage breast, colon, or prostate cancer.METHODSThis study used a retrospective chart review for documentation of inquiries or recommendations pertaining to physical activity in clinician notes and after‐visit patient summaries.RESULTSIn a 1‐month period, 55 oncology providers had 361 encounters (clinic visits) with early‐stage cancer patients. Thirty‐five percent of these encounters included a provider communication about “physical activity,” “exercise,” or “activity.” Encounters with a medical oncologist resulted in a physical activity communication 55% of the time, whereas encounters with other clinician specialties did so 20% of the time (P < .0001). The likelihood of a physical activity communication increased with patient age (P < .001). When the encounter was with a patient who was being seen for surveillance, chemotherapy, or endocrine treatment, the rate of physical activity communications was significantly higher (46%, 37%, and 58%, respectively) than the rate when the visit was during radiation treatment or surgery (6% and 19%, respectively; P < .0001).CONCLUSIONSThis study shows that it is feasible for oncology providers to have physical activity communications during routine clinic visits; however, the frequency of physical activity communications varies among providers. Interventions are needed to remind and encourage all oncology providers to encourage their patients with early‐stage cancer to be physically active. Cancer 2016;122:470–476. © 2015 American Cancer Society.
Co‐Doping of Activated Graphene for Synergistically Enhanced Electrocatalytic Oxygen Reduction Reaction
Authors: Hassan Mahbub , Haque Enamul , Minett Andrew I. , Gomes Vincent G. 
Published: November 2015

AbstractDoping of graphene has emerged as a key strategy to improve the electrocatalytic performance of the oxygen reduction reaction (ORR). Activated graphene co‐doped with iodine and nitrogen atoms (NIG) was developed in this work using a facile scalable approach. The onset potential, current density, and four‐electron reduction pathway of the newly developed catalyst were significantly improved. The charge‐transfer resistance of co‐doped NIG was found to be much lower than nitrogen‐doped graphene (NG); furthermore, the stability of NIG and its resistance to methanol crossover were also improved. The synergistically enhanced ORR performance of NIG was found to be a result of a high strain and size advantage of the larger iodine atom clusters (compared to nitrogen), which facilitate the simultaneous enrichment of anode electrons and O2 and H2O molecule transport at catalytic sites, inducing four‐electron transfer in a single step. These results are promising for application in alkaline fuel cells.
Synthesis, Structures, and Magnetic Properties of Binuclear [CrLn] (Ln = Gd or Dy) and Trinuclear [Cr2Ln] (Ln = Gd, Dy, or Tb) Heterometallic Clusters with 2,2′‐Bipyridine as Ligand
Authors: Li Zhong‐Yi , Wang Xiao‐Qun , Zhang Jian‐Jun , Liu Shu‐Qin , Ni Jun , Sun Ying‐Ji 
Published: November 2015

AbstractThe syntheses, structures, and magnetic properties of two series of Cr–Ln heterometallic clusters based on the 2,2′‐bipyridine (bipy) ligand are reported; binuclear [LnCr(bipy)2(μ2‐OH)2(H2O)6](ClO4)4·2H2O {Ln = Gd (1Gd) or Dy (1Dy)} and trinuclear [LnCr2(bipy)4(μ2‐OH)4(H2O)4](ClO4)5·H2O {Ln = Gd (2Gd), Dy (2Dy), or Tb (2Tb)}. Their syntheses could be controlled by the amount of lanthanide perchlorate used. The binuclear [CrLn] clusters could be formed with 24 equivalents of Ln(ClO4)3, whereas 12 equivalents of Ln(ClO4)3 gave the trinuclear [Cr2Ln] species with a CrLnCr core. The Cr3+ and Ln3+ ions are bridged by μ2‐OH groups in the two systems, and the [Cr2Ln] cluster is further assembled into a 1D supramolecular architecture by weak intermolecular π–π interactions. Magnetic analyses reveal that the Cr···Gd interactions in 1Gd and 2Gd are both antiferromagnetic.
Group 8 Metallomacrocycles – Synthesis, Characterization, and Stability
Authors: Ludlow James M. , Guo Zaihong , Schultz Anthony , Sarkar Rajarshi , Moorefield Charles N. , Wesdemiotis Chrys , Newkome George R. 
Published: November 2015

AbstractThe one‐step synthesis of the first homoleptic <tpy–OsII–tpy> metallomacrocycle is reported. Characterization of the OsII complex, along with its FeII and RuII analogues, was accomplished by NMR spectroscopy, ESI‐MS, TWIM‐MS, gradient tandem‐MS, CV, luminescence and UV/Vis spectroscopy. Center‐of‐mass collision energies, derived from gradient tandem‐MS, reveal that the <tpy–RuII–tpy>‐based structures are more stable than those of <tpy–OsII–tpy>.
Synthesis and Structure of Lewis‐Base‐Free Phosphinoalumane Derivatives
Authors: Agou Tomohiro , Ikeda Shin , Sasamori Takahiro , Tokitoh Norihiro 
Published: November 2015

AbstractLewis‐base‐free diphosphinoalumane and 1‐hydro‐2‐chlorophosphinoalumane derivatives bearing a bulky aryl substituent were synthesized by the reaction of the corresponding lithium phosphide and dichloroalumane. Structures of these phosphinoalumane derivatives were determined by spectroscopic and X‐ray crystallographic analyses. Because of the efficient steric protection by the bulky aryl substituent, the aluminum centers in these phosphinoalumane derivatives have tricoordinate geometry. Reactions of the phosphinoalumane derivatives with organolithium reagents and bases were investigated.
Probing the Salt‐Metathesis Route to Bis­(aryl)calcium Compounds: Structure of an Arylcalcate Complex
Authors: Harder Sjoerd , Ruspic Christian 
Published: November 2015

Abstract1,3‐Diisopropoxybenzene can be selectively metalated by nBuLi or by the superbase mixtures nBuLi/NaOC(Me)2Et or nBuLi/KOC(Me)2Et to give 2,6‐diisopropoxyphenyllithium (71 %), 2,6‐diisopropoxyphenylsodium (61 %), or 2,6‐diisopropoxyphenylpotassium (59 %) as isolated products. The attempted synthesis of bis(2,6‐diisopropoxyphenyl)calcium by the salt metathesis route using 2,6‐diisopropoxyphenylsodium and CaI2 gave an undefined mixture of products, whereas the attempted synthesis of bis(2,6‐diisopropoxyphenyl)calcium by the same approach using 2,6‐diisopropoxyphenylpotassium and CaI2 gave the calcate complex [{(iPrO)2C6H3}3Ca]–K+, which is the first arylcalcate complex to have been structurally characterized. The trend in the 13C NMR chemical shifts of the aryl Cipso atoms shows that the calcate complex displays an aryl–metal bond polarity (nucleophilicity/basicity) similar to that in arylsodium compounds.
Synthetic Studies towards Communesins: Diastereoselective Oxidative Rearrangement of Aurantioclavine Derivatives
Authors: Suetsugu Satoshi , Tsukano Chihiro , Takemoto Yoshiji 
Published: November 2015

AbstractCommunesins are a class of heptacyclic indole alkaloids that contain two aminal moieties and two contiguous quaternary carbon centers. We have investigated the construction of the pentacyclic skeleton of the communesins by employing the oxidative rearrangement of aurantioclavine derivatives, which are believed to be biosynthetic intermediates of the polycyclic communesin alkaloids. The quaternary C‐7 carbon center was constructed in a stereoselective manner, whereas the installation of the C‐11 stereocenter requires an epimerization process. The isolation of a 2‐ethoxyindolenine prior to the reduction of the nitro group and cyclization steps was critical to the success of this strategy.
A survey of neonicotinoid use and potential exposure to northern bobwhite (Colinus virginianus) and scaled quail (Callipepla squamata) in the Rolling Plains of Texas and Oklahoma
Authors: Turaga Uday , Peper Steven T. , Dunham Nicholas R. , Kumar Naveen , Kistler Whitney , Almas Sadia , Presley Steven M. , Kendall Ronald J. 
Published: November 2015

Abstract

Northern bobwhite (quail) (Colinus virginianus) and scaled quail (Callipepla squamata) populations have declined dramatically in the Rolling Plains ecoregion of Texas and Oklahoma (USA). There is rising concern about potential toxicity of neonicotinoids to birds. To investigate this concern, the authors examined crops of 81 northern bobwhite and 17 scaled quail to determine the presence or absence of seeds treated with 3 neonicotinoids (clothianidin, imidacloprid, and thiamethoxam). No treated seeds were found in the 98 crops examined. Liver samples from all 98 quail were collected and analyzed for neonicotinoid residues. Analysis revealed very low concentrations of neonicotinoids within the quail liver samples. The results suggest there is little to no risk of direct toxicity to quail from neonicotinoids. Environ Toxicol Chem 2016;35:1511–1515. © 2015 SETAC
Extracranial/intracranial vascular bypass and craniofacial resection: New hope for patients with locally advanced recurrent nasopharyngeal carcinoma
Authors: Chan Jimmy Yu Wai , Wong Stanley Thian Sze , Chan Richie Chiu Lung , Wei William Ignace 
Published: November 2015

AbstractBackgroundThe purpose of this study was to investigate the oncologic outcome and quality of life after surgical treatment of locally advanced (rT3–rT4) recurrent nasopharyngeal carcinoma (NPC) using the staged extracranial/intracranial vascular bypass and combined craniofacial approach.MethodsWe conducted a prospective study.ResultsBetween 1998 and 2013, 28 patients with rT3 to rT4 tumors were treated with the proposed surgical protocol. Clear resection margin was achieved in 46.4%. The median follow‐up was 42.6 months. The rate of local recurrence was 17.8%. The 5‐year overall survival was 52%. There was no change in the mean global health system score after the extensive surgery, although the physical functioning scores deteriorated significantly. The most common symptoms experienced by patients were speech and swallowing problems.ConclusionThe proposed surgical treatment for locally advanced recurrent NPC was associated with satisfactory local tumor control and survival. Quality of life after surgery was reasonable, although multidisciplinary training was required to maximize the postoperative speech and swallowing function. © 2015 Wiley Periodicals, Inc. Head Neck 38: E1404–E1412, 2016
Application of 1D paleo‐fluvial process modelling at a basin scale to augment sparse borehole data: example of a Permian formation in the Galilee Basin, Australia
Authors: Jiang Zhenjiao , Mariethoz Gregoire , Raiber Matthias , Timms Wendy , Cox Malcolm 
Published: November 2015

AbstractThe heterogeneous hydraulic conductivity (K) in water‐bearing formations controls subsurface flow and solute transport processes. Geostatistical techniques are often employed to characterize theKdistribution in space based on the correlation betweenKmeasurements. However, at the basin scale, there are often insufficient measurements for inferring the spatial correlation. This is a widespread problem that we address in this study using the example of the Betts Creek Beds (BCB) in the Galilee Basin, Australia. To address the lack of data, we use a 1D stochastic fluvial process‐based model (SFPM) to quantify the total sediment thickness,Z(x), and the sandstone proportion over the total thickness,Ps(x), in the BCB. The semivariograms ofZ(x) andPs(x) are then extracted and used in sequential Gaussian simulation to construct the 2D spatial distribution ofZ(x) andPs(x).Ps(x) can be converted to aKdistribution based on classical averaging methods. The results demonstrate that the combination of SFPM and geostatistical simulation allows for the evaluation of upscaledKdistribution with a limited number ofKmeasurements. Copyright © 2015 John Wiley & Sons, Ltd.
Bafilomycin A1 Attenuates Osteoclast Acidification and Formation, Accompanied by Increased Levels of SQSTM1/p62 Protein
Authors: Zhu Sipin , Rea Sarah L. , Cheng Taksum , Feng Hao Tian , Walsh John P. , Ratajczak Thomas , Tickner Jennifer , Pavlos Nathan , Xu Hua‐Zi , Xu Jiake 
Published: November 2015

ABSTRACTVacuolar proton pump H+‐adenosine triphosphatases (V‐ATPases) play an important role in osteoclast function. Further understanding of the cellular and molecular mechanisms of V‐ATPase inhibition is vital for the development of anti‐resorptive drugs specifically targeting osteoclast V‐ATPases. In this study, we observed that bafilomycin A1, a naturally‐occurring inhibitor of V‐ATPases, increased the protein level of SQSTM1/p62, a known negative regulator of osteoclast formation. Consistently, we found that bafilomycin A1 diminishes the intracellular accumulation of the acidotropic probe lysotracker in osteoclast‐like cells; indicative of reduced acidification. Further, bafilomycin A1 inhibits osteoclast formation with attenuation of cell fusion and multi‐nucleation of osteoclast‐like cells during osteoclast differentiation. Taken together, these data indicate that bafilomycin A1 attenuates osteoclast differentiation in part via increased levels of SQSTM1/p62 protein, providing further mechanistic insight into the effect of V‐ATPase inhibition in osteoclasts. J. Cell. Biochem. 117: 1464–1470, 2016. © 2015 Wiley Periodicals, Inc.
Inoculation of new rhizobial isolates improve nutrient uptake and growth of bean (Phaseolus vulgaris) and arugula (Eruca sativa)
Authors: de Souza Eduardo M , Bassani Victor L , Sperotto Raul A , Granada Camille E 
Published: November 2015

AbstractBACKGROUNDIn the current agricultural model, the massive use of chemical fertilizer causes environmental and economic losses. Inoculation of plant‐growth‐promoting (PGP) nitrogen‐fixing bacteria is an alternative to the use of nitrogen, phosphorus and potassium fertilizers. In this study, rhizobia strains isolated from common bean (Phaseolus vulgaris) root nodules were evaluated in an effort to identify an efficient nitrogen‐fixing rhizobia strain able to improve bean germination and growth.RESULTSCommon bean plants were collected from seven sites in southern Brazil, and 210 native rhizobia isolates were obtained. Evaluation of PGP traits showed that most of the rhizobia isolates were non‐siderophore producers and weak indolic compounds producers. Under laboratory conditions, rhizobia isolates E15 (Rhizobium leguminosarum) and L5 (Rhizobium radiobacter) increase germination percentage, length, and dry weight of common bean and arugula (Eruca sativa) seedlings. Under greenhouse conditions, common bean plants inoculated with the rhizobia isolates VC28 and L15 (both Rhizobium fabae) presented the highest nodule number and shoot dry matter, while VC28 also presented the highest values of shoot nitrogen and potassium. Isolate L17 presented highly effective N fixation, even with reduced nodulation.CONCLUSIONThese new rhizobia isolates are attractive PGP alternatives to chemical fertilizers. © 2015 Society of Chemical Industry
Winter wheat fertilized with biogas residue and mining waste: yielding and the quality of grain
Authors: Różyło Krzysztof , Gawlik‐Dziki Urszula , Świeca Michał , Różyło Renata , Pałys Edward 
Published: November 2015

AbstractBACKGROUNDEnvironmental protection problems and efforts to increase agricultural productivity result in attempts to use various organic and mineral wastes as fertilizers. This study aimed to determine the effect of biogas residue (BR) and mining waste (MS) fertilization on wheat yield as well as the nutritional and pro‐health quality of grains produced.RESULTSAfter the application of MS and BR wheat grain yield was increased compared to unfertilized wheat. The highest grain yield and thousand‐grain weight were obtained after MS+BR fertilization. Grains of wheat fertilized with BR and MS+BR contained significantly more protein and wet gluten compared to no fertilization and conventional fertilization (NPK). The studied conditions did not statistically affect starch content. BR fertilization significantly increased the total phenolic content; however, grains of wheat fertilized with NPK were characterized by the highest content of flavonoids and syringic, p‐coumaric and sinapic acids. Compared to NPK, waste fertilizations positively affect the reducing power and antiradical activity of wheat.CONCLUSIONThese results suggest that the wastes evaluated can be an alternative to conventional fertilization in the soil tested that without any significant deterioration and in some cases significant improvement of yield and wheat quality. © 2015 Society of Chemical Industry