bluuebunny/crossref_metadata_2025 huggingface dataset:
Development of Genetic Dereplication Strains in Aspergillus nidulans Results in the Discovery of Aspercryptin
Authors: Chiang Yi‐Ming , Ahuja Manmeet , Oakley C. Elizabeth , Entwistle Ruth , Asokan Anabanadam , Zutz Christoph , Wang Clay C. C. , Oakley Berl R.
Published: November 2015

To reduce the secondary metabolite background in Aspergillus nidulans and minimize the rediscovery of compounds and pathway intermediates, we created a “genetic dereplication” strain in which we deleted eight of the most highly expressed secondary metabolite gene clusters (more than 244,000 base pairs deleted in total). This strain allowed us to discover a novel compound that we designate aspercryptin and to propose a biosynthetic pathway for the compound. Interestingly, aspercryptin is formed from compounds produced by two separate gene clusters, one of which makes the well‐known product cichorine. This raises the exciting possibility that fungi use differential regulation of expression of secondary metabolite gene clusters to increase the diversity of metabolites they produce.
Diastereoselektive Synthese von Methylencyclobutanen durch Vereinigung von Bor‐Homologisierungs‐ und ‐Allylierungsstrategie
Authors: Eisold Michael , Didier Dorian
Published: November 2015

Es wird eine hoch diastereoselektive Synthese von Methylencyclobutanen mit quartärem Stereozentrum beschrieben. Auf eine Bor‐Homologisierung der leicht zugänglichen Cyclobutenylmetallspezies folgt dabei eine Allylierungsreaktion. Ferner führte eine Kombination der drei Schritte in einer Eintopfreaktion zur Optimierung der Methode, um die erwarteten Produkten ausgehend von kommerziellem 4‐Brombutin in exzellenten Ausbeuten und Stereoselektivitäten zu erhalten.
Structures of Iridoid Synthase from Cantharanthus roseus with Bound NAD+, NADPH, or NAD+/10‐Oxogeranial: Reaction Mechanisms
Authors: Hu Yumei , Liu Weidong , Malwal Satish R. , Zheng Yingying , Feng Xinxin , Ko Tzu‐Ping , Chen Chun‐Chi , Xu Zhongxia , Liu Meixia , Han Xu , Gao Jian , Oldfield Eric , Guo Rey‐Ting
Published: November 2015

Structures of the iridoid synthase nepetalactol synthase in the presence of NAD+, NADPH or NAD+/10‐oxogeranial were solved. The 10‐oxogeranial substrate binds in a transoid‐O1‐C3 conformation and can be reduced by hydride addition to form the byproduct S‐10‐oxo‐citronellal. Tyr178 Oζ is positioned 2.5 Å from the substrate O1 and provides the second proton required for reaction. Nepetalactol product formation requires rotation about C1–C2 to form the cisoid isomer, leading to formation of the cis‐enolate, together with rotation about C4–C5, which enables cyclization and lactol production. The structure is similar to that of progesterone‐5β‐reductase, with almost identical positioning of NADP, Lys146(147), Tyr178(179), and F342(343), but only Tyr178 and Phe342 appear to be essential for activity. The transoid 10‐oxogeranial structure also serves as a model for β‐face hydride attack in progesterone 5β‐reductases and is of general interest in the context of asymmetric synthesis.
Ein unkonventionelles Katalysatorsystem auf der Basis von ZrO2 für die Propandehydrierung: Konzept, Synthese und aktive Zentren
Authors: Otroshchenko Tatyana , Sokolov Sergey , Stoyanova Mariana , Kondratenko Vita A. , Rodemerck Uwe , Linke David , Kondratenko Evgenii V.
Published: November 2015

Die nichtoxidative Dehydrierung von Propan zu Propen ist ein etablierter großtechnischer Prozess. Allerdings gibt es Verbesserungsbedarf, vor allem bei den verwendeten Katalysatoren: So sind Chromverbindungen toxisch, Pt ist teuer, und die Katalysatorstabilität könnte verbessert werden. In dieser Arbeit beschreiben wir einen wissensbasierten Ansatz für die Entwicklung von unkonventionellen Katalysatoren, die auf Metalloxiden mit einer spezifischen Defektstruktur basieren; ein Beispiel dafür ist mit anderen Metalloxiden dotiertes ZrO2. Unsere Hypothese, dass koordinativ ungesättigte Zr‐Kationen als aktive Zentren für die Propandehydrierung wirken, wurde durch umfassende Charakterisierung gestützt. Ihre Konzentration kann durch die Art des Promotors und/oder durch Aufbringen winziger Mengen an hydrieraktiven Metallen eingestellt werden. Ein nach dieser Herangehensweise entwickelter Cu(0.05 Gew.‐%)/ZrO2‐La2O3‐Katalysator zeigte in einem 240 Stunden dauernden Langzeitexperiment mit 60 Dehydrier‐Regenerier‐Zyklen im Temperaturbereich von 550 bis 625 °C eine mit Industriekatalysatoren vergleichbare Aktivität und Stabilität.
Zinc‐Catalyzed Dehydrogenative Cross‐Coupling of Terminal Alkynes with Aldehydes: Access to Ynones
Authors: Tang Shan , Zeng Li , Liu Yichang , Lei Aiwen
Published: November 2015

Because of the lack of redox ability, zinc has seldom been used as a catalyst in dehydrogenative cross‐coupling reactions. Herein, a novel zinc‐catalyzed dehydrogenative C(sp2)H/C(sp)H cross‐coupling of terminal alkynes with aldehydes was developed, and provides a simple way to access ynones from readily available materials under mild reaction conditions. Good reaction selectivity can be achieved with a 1:1 ratio of terminal alkyne and aldehyde. Various terminal alkynes and aldehydes are suitable in this transformation.
Morphological Analysis for Neuron‐Like Cells in the Vomeronasal Organ of Human Fetuses at the Middle of Gestation
Authors: Takami Shigeru , Yukimatsu Maiko , Matsumura George , Horie Sawa , Nishiyama Fumiaki
Published: November 2015

The vomeronasal organ (VNO) of 5‐month‐old fetuses was examined immunohistochemically by the use of an antiserum to protein gene product 9.5 (PGP). The purpose was to identify if the human fetal VNO is lined by neuroepithelium. The PGP antiserum labeled abundant cells within the vomeronasal epithelium (VE), nerve fiber bundles in its lamina propria, and cells associated with these bundles. PGP‐immunoreactive (ir) vomeronasal epithelial cells were classified into three subtypes. Type I cells, about 44% of the total cells observed, did not have any processes and tended to be located in the basal layer of the VE. Type II cells, about 37% had a single apical process that projected toward the lumen, ending at the epithelial surface. Type III cells sent a prominent process mainly toward the basement membrane, and occupied about 19% of the total cells observed. In the lamina propria, a considerable number of PGP‐ir cells was observed. Some of them were present in nerve fiber bundles and contained processes parallel to the bundles. In addition, PGP‐ir nerve fiber bundles and cells associated with them were even present in the portion of the nasal septal mucosa that was very close to the brain. The present results strongly suggested that the VE in human fetuses at mid‐gestation is a neuroepithelium and that the VE may produce migrating cells toward the brain. Anat Rec, 299:88–97, 2016. © 2015 Wiley Periodicals, Inc.
Obtaining General Relativity's N‐body non‐linear Lagrangian from iterative, linear algebraic scaling equations
Authors: Nordvedt K.
Published: November 2015

A local system of bodies in General Relativity whose exterior metric field asymptotically approaches the Minkowski metric effaces any effects of the matter distribution exterior to its Minkowski boundary condition. To enforce to all orders this property of gravity which appears to hold in nature, a method using linear algebraic scaling equations is developed which generates by an iterative process an N‐body Lagrangian expansion for gravity's motion‐independent potentials which fulfills exterior effacement along with needed metric potential expansions. Then additional properties of gravity – interior effacement and Lorentz time dilation and spatial contraction – produce additional iterative, linear algebraic equations for obtaining the full non‐linear and motion‐dependent N‐body gravity Lagrangian potentials as well. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Reviewing recent results from the Pierre Auger Observatory
Authors: Dobrigkeit C. , Pierre Auger Collaboration
Published: November 2015

The Pierre Auger Observatory addresses the most fundamental questions about the nature and origin of the highest‐energy cosmic rays. The results obtained by the Auger Observatory have already led to a number of major breakthroughs in the field contributing to the advance of our understanding of these extremely energetic particles. The spectrum and the arrival direction distribution are key observables to search for sources or source regions of ultra‐high energy cosmic rays, and to understand the transition from Galactic to extragalactic cosmic rays. We present the latest results on the energy spectrum, and on the studies of anisotropies performed on the ten‐year dataset of arrival directions of cosmic rays at large and small angular scales. We also address the plans and motivations for the future upgrade of the Pierre Auger Observatory. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Status of the Cherenkov Telescope Array project
Authors: Barres de Almeida U.
Published: November 2015

Gamma‐ray astronomy holds a great potential for astro‐physics, particle physics, and cosmology. The CTA is an international initiative to build the next generation of ground‐based gamma‐ray observatories which will represent a factor of 5–10× improvement in the sensitivity of observations in the range 100 GeV–10 TeV, as well as an extension of the observational capabilities down to energies below 100 GeV and beyond 100 TeV. The array will consist of two telescope networks (one in the northern hemisphere and another in the south) so to achieve a full‐sky coverage, and will be composed by a hybrid system of 4 different telescope types. It will operate as an observatory, granting open access to the community through calls for submission of proposals competing for observation time. The CTA will give us access to the non‐thermal and high‐energy universe at an unprecedented level, and will be one of the main instruments for high‐energy astro‐physics and astroparticle physics of the next 30 years. CTA has now entered its prototyping phase with the first, stand‐alone instru¬ments being built. Brazil is an active member of the CTA consortium, and the project is represented in Latin America also by Argentina, Mexico, and Chile. In the next few months the consortium will define the site for installation of CTA South, which might come to be hosted in the Chilean Andes, with important impact for the high‐energy community in Latin America. In this talk we will present the basic concepts of the CTA and the detailed project of the observatory. Emphasis will be put on its scientific potential and on the Latin‐American involvement in the preparation and construction of the observatory, whose first seed, the ASTRI mini‐array, is currently being constructed in Sicily, in a cooperation between Italy, Brazil, and South Africa. ASTRI should be installed on the final CTA site in 2016, whereas the full CTA array is expected to be operational by the end of the decade. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
An effective field theory for neutron stars with many‐body forces, strong ∑– repulsion, and K– and $\bar K^0$ condensation
Authors: Mesquita A. , Razeira M. , Ruffini R. , Rueda J. A. , Hadjimichef D. , Gomes R. O. , Zen Vasconcellos C. A.
Published: November 2015

The role of many‐body correlations (many‐body forces) and K–‐

condensation in β‐equilibrated hyperonic matter is investigated in order to shed some light in the hyperonization puzzle, ie that neutron star mass of 2M® cannot be obtained in the presence of exotic degree of freedoms. In this investigation, we use an effective relativistic QHD‐model with parameterized couplings which represents an extended compilation of other effective models found in the literature. Our theoretical approach exhausts the whole fundamental baryon octet (n, p, ∑–, ∑0, ∑+, Λ, Ξ–, Ξ0) and simulates n‐order corrections to the minimal Yukawa couplings by considering many‐body nonlinear self‐couplings and meson‐meson interaction terms involving scalar‐isoscalar (σ, σ*), vector‐isoscalar (ω, φ), vector‐isovector (ϱ), and scalar‐isovector (δ) sectors. Following recent experimental results, we consider in our calculations the extreme case where the ∑– experiences such a strong repulsion that its influence in the nuclear structure of a neutron star is excluded at all. We study the effects of this exclusion on the phase transition of conventional exotic hadronic matter to hadronic matter containing a condensate of kaons and anti‐kaons. As a novelty in the treatment of kaon and anti‐kaon condensation in high density nuclear matter, we consider a Lagrangian formulation which describes, in addition to the interaction involving baryons and mesons and the contribution of kaons and anti‐kaons in free propagation, the presence of many‐body forces involving kaon, anti‐kaon and meson fields. To implement the corresponding phase transition we considered the Gibbs conditions combined with the mean‐field approximation, giving rise to a mixed phase of coexistence between baryon matter and the condensed of kaons and anti‐kaons. Our investigation show that even with kaon condensation, the nuclear equation of state satisfies both the maximum mass and the allowed ranges of mass and radius of neutron stars. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Z ' decay and dark matter relic density in a Stueckelberg extension of the Standard Model
Authors: dos Santos A. L. , Vasconcellos C. A. Z.
Published: November 2015

An extension of the Standard Model (SM) is studied, in which two new vector bosons are introduced, a first boson Z ' coupled to the SM by the usual minimal coupling, producing an enlarged gauge sector in the SM. The second boson A ' field, in the dark sector of the model, remains massless and originates a dark photon γ '. A hybrid mixing scenario is considered based on a combined Higgs and Stueckelberg mechanisms. Model parameters are determined in order to fit the experimental relic density. The Z ' decay into fermions is also evaluated. (© 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Smart Polymeric Nanoparticles as Emerging Tools for Imaging—The Parallel Evolution of Materials
Authors: Papadimitriou Sofia A. , Salinas Yolanda , Resmini Marina
Published: November 2015

The field of imaging has developed considerably over the past decade and recent advances in the area of nanotechnology, in particular nanomaterials, have opened new opportunities. Polymeric nanoparticles are particularly interesting and a number of novel materials, characterized by stimuli‐responsive characteristics and fluorescent tagging, have allowed visualization, intracellular labeling and real‐time tracking. In some of the latest applications the nanoparticles have been used for imagining of tumor cells, both in vivo and ex vivo.
Multipurpose Nature of Rapid Covalent Functionalization on Carbon Nanotubes
Authors: González‐Domínguez Jose M. , Santidrián Ana , Criado Alejandro , Hadad Caroline , Kalbáč Martin , Da Ros Tatiana
Published: November 2015

In the vast field of functionalization routes to carbon nanoforms, the fulfillment of such critical requirements as quick and nonharsh methods, good dispersibility, introduction of reactive groups, short reaction time, and low cost can be quite challenging. Traditional thermally induced diazonium chemistry on single‐walled carbon nanotubes (SWCNTs) is revisited by using commercial anilines and providing useful insight into the versatility of this approach. Functionalized SWCNTs with multiple controllable features, such as degree (and ratio) of coverage, orthogonalization, doping, and high water dispersibility, are obtained by introducing benzenesulfonic acid and benzylamine moieties. The scenario opens up an avenue to address relevant applications in which most functionalization methods could not be applied in a straightforward way.
Ag2Mo3O10 Nanorods Decorated with Ag2S Nanoparticles: Visible‐Light Photocatalytic Activity, Photostability, and Charge Transfer
Authors: Chen Xianjie , Liu Fenglin , Yan Xiaodong , Yang Yang , Chen Qian , Wan Juan , Tian Lihong , Xia Qinghua , Chen Xiaobo
Published: November 2015

Ag2Mo3O10 nanorods decorated with Ag2S nanoparticles have been synthesized by an anion‐exchange route. With thiourea as the sulfur source, sulfur ions replace [Mo3O10]2− units of active sites on the surface of Ag2Mo3O10 nanorods, forming Ag2Mo3O10 nanorods decorated with Ag2S nanoparticles. This induces enhanced absorption in the visible‐light region. Ag2S nanoparticles decorate the surface of Ag2Mo3O10 nanorods uniformly with a suitable amount of thiourea. The Ag2S/Ag2Mo3O10 nanoheterostructure enhances the photocatalytic activity on the degradations of Rhodamine B and glyphosate under visible light. This enhancement is attributed to the improved absorption of visible light and effective separation of charge carriers in the nanoheterostructure. Meanwhile, the Ag2S/Ag2Mo3O10 nanoheterostructure displays good photocatalytic stability based on cyclic photocatalytic experiments.
Developing the Saegusa–Ito Cyclisation for the Synthesis of Difluorinated Cyclohexenones
Authors: Percy Jonathan M. , McCarter Adam W. , Sewell Alan L. , Sloan Nikki , Kennedy Alan R. , Hirst David J.
Published: November 2015

Palladium(II)‐catalysed cycloalkenylation (Saegusa–Ito cyclisation) has been used for the first time to transform difluorinated silylenol ethers to difluorinated cycloalkenones under mild conditions. The silylenol ether precursors were prepared in two high‐yielding steps from trifluoroethanol, and cyclised in moderate to good yields. A combination of air and copper(I) chloride in acetonitrile gave the turnover of the initial palladium(II) salt, whereas the provision of an oxygen atmosphere ensured more rapid reaction. Annulations required a minimum level of substitution on the chain, but failed when the alkene was substituted. Annelations allowed a range of n,6‐bicyclic systems to be prepared and afforded three products, in which heterocycles were fused to the new cyclohexenone. The least substituted system explored underwent cyclisation followed by terminal oxidation to a cyclic enal, which corresponded to a Wacker product of unusual regiochemistry.
Cyclodextrin‐Functionalized Monolithic Capillary Columns: Preparation and Chiral Applications
Authors: Adly Frady G. , Antwi Nana Yaa , Ghanem Ashraf
Published: November 2015

In this review, the recently reported approaches for the preparation of cyclodextrin‐functionalized capillary monolithic columns are highlighted, with few applications in chiral separations using capillary liquid chromatography (CLC) and capillary electrochromatography (CEC). Chirality 28:97–109, 2016. © 2015 Wiley Periodicals, Inc.
Handling Climate Change – Establishing Waste CO2 Management A View from Biotechnology
Authors: Ringpfeil Manfred
Published: November 2015

The biggest material flows induced by industry are realized in energy production. Coal, oil and gas as raw material streams are moved from their deposits to their further converting. From there product streams are branched out. However, the biggest material flow of this industry is waste CO2 mobilized by chemical conversion from fossil deposits and released into the atmosphere. A waste management is urgently needed to reduce the amount of this flow, to neutralize its effects on environment and to establish applications yielding a return. Natural backflow of CO2 from the atmosphere to the biosphere waits for completion by industrial methods in order to shift it to a dimension equalizing the finally unavoidable amount of waste CO2 flow into the atmosphere.
Single‐phase free convective mass transfer in electrochemical reactors
Authors: Vogt Helmut
Published: November 2015

At small values of current density and in the absence of significant forced convection, the simultaneous mass transfer of reagent and of product is controlled by free convection. A practical mass transfer equation is derived applicable to laminar as well as to turbulent flow. The function considers the particular conditions of electrodes with and without gas evolution and differs in application to reagent and to product. In addition to the more accurate and complex equation, a simpler relationship suitable for rough estimates is suggested.
Impact of sonication on activated sludge properties and consequences on PAH partitioning
Authors: Mozo Irene , Lesage Nicolas , Sperandio Mathieu , Bessiere Yolaine
Published: November 2015

Sonication is an efficient sludge disintegration technique that can be used for reducing the excess sludge produced in water treatment. The effects of activated sludge sonication on its physicochemical properties and their consequences on the partitioning of hydrophobic polycyclic aromatic hydrocarbons (PAH) are reported. Ultrasound treatment led to an increase in dissolved and colloidal matter in the aqueous phase, with a predominance of proteins compared to the initial supernatant. This transfer of DCM was found to be directly correlated to the energy applied, and resulted in proportional transfer of PAHs from the particulate phase to the aqueous fraction. The PAH aqueous fraction, initially ranging from 0.012 g/g (pyrene) to 0.19 g/g (naphthalene), reached between 0.25–0.37 g/g when a specific energy of 40 000 kJ/kgTS0 was applied. For the raw sludge, the logarithm of the equilibrium constant varied between 3.0–4.3, depending on the hydrophobicity of the molecule, but when sonication was applied, the affinity for particles decreased significantly, resulting in a narrow distribution (log KG = 2.8–3.0 after 40 000 kJ/kgTS0 was applied). PAH partition is governed by molecule hydrophobicity (log Kow) for raw sludge and by sonication intensity for sonicated sludge.
Iron‐Mediated Chlorotrifluoromethylation of Alkenes with Sodium Trifluoromethanesulfinate
Authors: Yang Bin , Xu Xiu‐Hua , Qing Feng‐Ling
Published: November 2015

An iron‐mediated three‐component chlorotrifluoromethylation of both styrenes and aliphatic alkenes has been presented here. This reaction employs ferric chloride (FeCl3) as the Cl source and the Langlois reagent (CF3SO2Na) as the CF3 source. It provides a convenient pathway towards a wide range of chlorotrifluoromethylated compounds.
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

In 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

Targeting 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

BACKGROUND

Inhibitors 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.

METHODS

In 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.

RESULTS

Eleven 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).

CONCLUSIONS

Birinapant 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

BACKGROUND

National 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.

METHODS

This study used a retrospective chart review for documentation of inquiries or recommendations pertaining to physical activity in clinician notes and after‐visit patient summaries.

RESULTS

In 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).

CONCLUSIONS

This 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.
Therapeutic drug monitoring: A patient management tool for precision medicine
Authors: Jang SH , Yan Z , Lazor JA
Published: November 2015

The precision medicine initiative is designed to better understand the causes of disease, to develop target therapies, and to identify patients that would benefit from treatment. Prescribing the right dose, which is not always the same to all patients, is needed for a successful outcome. The purpose of this commentary is to discuss the role of dose individualization based on therapeutic drug monitoring as a clinical patient management tool in the application of precision medicine.
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

Doping 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.
CVD Growth of MoS2‐based Two‐dimensional Materials
Authors: Liu H. F. , Wong S. L. , Chi D. Z.
Published: November 2015

The ‘self‐limiting’ character of graphene growth on the surface of metals such as Ni and Cu makes CVD the natural choice for growing large‐area and continuous graphene films. Beyond graphene, absence of the self‐limiting property results in a challenge to achieving large‐area, high‐quality two‐dimensional (2D) crystals by CVD. Recent studies of structural, optical, and electrical properties of MoS2‐based atomic layers grown by CVD are reviewed, concluding that thermal vapor deposition will outperform thermal vapor sulfurization in producing the required materials. Whether gaseous sources will replace the now dominant solid sources in direct deposition methods is an open issue. The latest progression in various CVD techniques used in MoS2 growth and their resultant products are discussed and compared.
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

The 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

The one‐step synthesis of the first homoleptic  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 ‐based structures are more stable than those of .
Synthesis and Structure of Lewis‐Base‐Free Phosphinoalumane Derivatives
Authors: Agou Tomohiro , Ikeda Shin , Sasamori Takahiro , Tokitoh Norihiro
Published: November 2015

Lewis‐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

1,3‐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

Communesins 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

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

Background

The 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.

Methods

We conducted a prospective study.

Results

Between 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.

Conclusion

The 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
Antiviral therapy in management of chronic hepatitis B viral infection in children: A systematic review and meta‐analysis
Authors: Jonas Maureen M. , Lok Anna S.F. , McMahon Brian J. , Brown Robert S. , Wong John B. , Ahmed Ahmed T. , Farah Wigdan , Mouchli Mohamed A. , Singh Siddharth , Prokop Larry J. , Murad Mohammad Hassan , Mohammed Khaled
Published: November 2015

Most individuals with chronic hepatitis B viral (HBV) infection acquired the infection around the time of birth or during early childhood. We aimed to synthesize evidence regarding the effectiveness of antiviral therapy in the management of chronic HBV infection in children. We conducted a comprehensive search of multiple databases from 1988 to December 2, 2014, for studies that enrolled children (<18 years) with chronic HBV infection treated with antiviral therapy. We included observational studies and randomized controlled trials (RCTs). Two independent reviewers selected studies and extracted data. In the 14 included studies, two cohort studies showed no significant reduction in the already low risk of hepatocellular carcinoma or cirrhosis and 12 RCTs reported intermediate outcomes. In RCTs with posttreatment follow‐up <12 months, antiviral therapy compared to placebo improved alanine aminotransferase normalization (risk ratio [RR] = 2.3, 95% confidence interval [CI] 1.7‐3.2), hepatitis B e antigen (HBeAg) clearance/loss (RR = 2.1, 95% CI 1.5‐3.1), HBV DNA suppression (RR = 2.9, 95% CI 1.8‐4.6), HBeAg seroconversion (RR = 2.1, 95% CI 1.4‐3.3), and hepatitis B surface antigen clearance (RR = 5.8, 95% CI 1.1‐31.5). In RCTs with posttreatment follow‐up ≥12 months, antiviral therapy improved cumulative HBeAg clearance/loss (RR = 1.9, 95% CI 1.7‐3.1), HBeAg seroconversion (RR = 2.1, 95% CI 1.3‐3.5), alanine aminotransferase normalization (RR = 1.4, 95% CI 1.1‐1.7), and HBV DNA suppression (RR = 1.4, 95% CI 1.1‐1.8) but not hepatitis B surface antigen clearance or seroconversion. Conclusion: In children with chronic HBV infection, antivirals compared to no antiviral therapy improve HBV DNA suppression and frequency of alanine aminotransferase normalization and HBeAg seroconversion. (Hepatology 2016;63:307–318)
Antiviral therapy for chronic hepatitis B viral infection in adults: A systematic review and meta‐analysis
Authors: Lok Anna S.F. , McMahon Brian J. , Brown Robert S. , Wong John B. , Ahmed Ahmed T. , Farah Wigdan , Almasri Jehad , Alahdab Fares , Benkhadra Khalid , Mouchli Mohamed A. , Singh Siddharth , Mohamed Essa A. , Abu Dabrh Abd Moain , Prokop Larry J. , Wang Zhen , Murad Mohammad Hassan , Mohammed Khaled
Published: November 2015

Chronic hepatitis B viral (HBV) infection remains a significant global health problem. Evidence‐based guidelines are needed to help providers determine when treatment should be initiated, which medication is most appropriate, and when treatment can safely be stopped. The American Association for the Study of Liver Diseases HBV guideline methodology and writing committees developed a protocol a priori for this systematic review. We searched multiple databases for randomized controlled trials and controlled observational studies that enrolled adults ≥18 years old diagnosed with chronic HBV infection who received antiviral therapy. Data extraction was done by pairs of independent reviewers. We included 73 studies, of which 59 (15 randomized controlled trials and 44 observational studies) reported clinical outcomes. Moderate‐quality evidence supported the effectiveness of antiviral therapy in patients with immune active chronic HBV infection in reducing the risk of cirrhosis, decompensated liver disease, and hepatocellular carcinoma. In immune tolerant patients, moderate‐quality evidence supports improved intermediate outcomes with antiviral therapy. Only very low‐quality evidence informed the questions about discontinuing versus continuing antiviral therapy in hepatitis B e antigen‐positive patients who seroconverted from hepatitis B e antigen to hepatitis B e antibody and about the safety of entecavir versus tenofovir. Noncomparative and indirect evidence was available for questions about stopping versus continuing antiviral therapy in hepatitis B e antigen‐negative patients, monotherapy versus adding a second agent in patients with persistent viremia during treatment, and the effectiveness of antivirals in compensated cirrhosis with low‐level viremia. Conclusion: Most of the current literature focuses on the immune active phases of chronic HBV infection; decision‐making in other commonly encountered and challenging clinical settings depends on indirect evidence. (Hepatology 2016;63:284–306)
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

The 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.
The effects of colour and valence on news evaluation
Authors: Kaspar Kai , Grümmer Melanie , Kießler Antje , Neuß Celina , Schröter Franziska
Published: November 2015

Research across different fields of psychology has reported effects of colour cues on a variety of cognitive processes. Especially, the colour red has been shown to have striking influences. In the context of media reception, however, colour effects have been widely neglected so far. This study made a first step in this direction by investigating the effects of the colour red (compared with blue and grey) on the way news articles are evaluated. Two types of news were framed by a coloured border while the valence of the news content additionally varied. Based on 369 participants who read and evaluated the news articles online, we observed effects for colour cues and news valence in the absence of an interaction effect, indicating that the colour red induced approach motivation. However, only the contrast between red and grey reached statistical significance, indicating that chromatic and achromatic colours may differ in their perceived visual saliency. Overall, these results provide an important complement to previous studies and have practical implications for media researchers and producers.
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

Vacuolar 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.