bluuebunny/crossref_metadata_2025 huggingface dataset:
Absence of Charge Transfer State Enables Very LowVOCLosses in SWCNT:Fullerene Solar Cells
Authors: Classen Andrej , Einsiedler Lukas , Heumueller Thomas , Graf Arko , Brohmann Maximilian , Berger Felix , Kahmann Simon , Richter Moses , Matt Gebhard J. , Forberich Karen , Zaumseil Jana , Brabec Christoph J.
Published: November 2018

Current state‐of‐the‐art organic solar cells (OSCs) still suffer from high losses of open‐circuit voltage (VOC). Conventional polymer:fullerene solar cells usually exhibit bandgap toVOClosses greater than 0.8 V. Here a detailed investigation ofVOCis presented for solution‐processed OSCs based on (6,5) single‐walled carbon nanotube (SWCNT): [6,6]‐phenyl‐C71‐butyric acid methyl ester active layers. Considering the very small optical bandgap of only 1.22 eV of (6,5) SWCNTs, a highVOCof 0.59 V leading to a lowEgap/q−VOC= 0.63 V loss is observed. The low voltage losses are partly due to the lack of a measurable charge transfer state and partly due to the narrow absorption edge of SWCNTs. Consequently,VOClosses attributed to a broadening of the band edge are very small, resulting inVOC,SQ−VOC,rad= 0.12 V. Interestingly, this loss is mainly caused by minor amounts of SWCNTs with smaller bandgaps as well as (6,5) SWCNT trions, all of which are experimentally well resolved employing Fourier transform photocurrent spectroscopy. In addition, the low losses due to band edge broadening, a very low voltage loss are also found due to nonradiative recombination, ΔVOC,nonrad= 0.26 V, which is exceptional for fullerene‐based OSCs.
Asymmetric Brook Rearrangement
Authors: Lee Nicholas , Tan Choon‐Hong , Leow Dasheng
Published: November 2018

Although the Brook rearrangement has been discovered over fifty years ago, there remains significant opportunities for chemists to make new discoveries relating to this reaction. Majority of the examples in the literature report Brook rearrangements using racemic starting materials. In this Focus Review, we highlight asymmetric variants of Brook rearrangements, focusing on enantioselective and enantiospecific examples.
Silver‐Catalyzed Stereoselective trans Addition of 4‐Hydroxycoumarins to Haloalkynes and Late‐Stage Nitration
Authors: Hong Xianfang , Ma Fang , Zha Dandan , Li Hongji
Published: November 2018

An efficient silver‐catalyzed stereoselective trans‐addition of 4‐hydroxycoumarins to haloalkynes under ambient air is described, allowing the straightforward synthesis of vinyl halides. The late‐stage nitration of the resulting products with silver nitrate proceeded with retention of configuration, affording a series of nitroalkenes in good yields. Additionally, DFT calculations were employed for mechanistic studies, and a possible mechanism for the Ag(I)‐catalyzed addition was proposed.
Organocatalytic Asymmetric One‐Step Desymmetrizing Dearomatization Reaction of Indoles: Development and Bioactivity Evaluation
Authors: Peng Lei , Xu Da , Yang Xiaohong , Tang Jiakun , Feng Xuli , Zhang Shao‐Lin , Yan Hailong
Published: November 2018

An organocatalytic one‐step desymmetrizing dearomatization reaction of indoles with in situ formed vinylidene ortho‐quinone methides is reported. A set of [6‐6‐5] and/or [5‐6‐5] fused indoline heterocycles were obtained in excellent yields with excellent diastereoselectivities (>20:1 d.r.) and enantioselectivities (up to 99 % ee). Moreover, some of the obtained products were screened against a panel of cancer cell lines, and one was identified to inhibit the proliferation of all the tested cancer cells, but showed marginal effects against non‐cancerous cells. The methodology provides a platform for the synthesis of new leading compounds with antitumor activity.
Lichtinduziertes Schalten der Leitfähigkeit von MOFs mit eingelagertem Spiropyran
Authors: Garg Shubham , Schwartz Heidi , Kozlowska Mariana , Kanj Anemar Bruno , Müller Kai , Wenzel Wolfgang , Ruschewitz Uwe , Heinke Lars
Published: November 2018

Leitfähige metallorganische Gerüstverbindungen (MOFs) und intelligente, durch verschiedene Stimuli anregbare MOFs werden aktuell intensiv aufgrund ihrer Eignung in der Energiegewinnung und ‐speicherung sowie Signalverarbeitung untersucht. In der vorliegenden Arbeit wurde die elektronische Leitfähigkeit von MOF‐Filmen des Typs UiO‐67 mit eingelagertem photoschaltbaren nitro‐substituierten Spiropyran untersucht. Bei Bestrahlung mit UV‐Licht kommt es zur reversiblen Isomerisierung des Spiropyrans (SP) von seiner geschlossenen SP‐Form in die offene Merocyanin(MC)‐Form. Bei letzterem handelt es sich um ein zwitterionisches Molekül mit einem delokalisierten konjugierten π‐Elektronensystem. Wir konnten zeigen, dass diese lichtinduzierte SP‐zu‐MC‐Isomerisierung zur gezielten Steuerung der Leitfähigkeit dieses SP@UiO‐67‐Films führt, wobei die elektrische Leitfähigkeit um eine Größenordnung erhöht werden konnte. Diese Ergebnisse werden zur Entwicklung einer neuen Generation photoelektronischer Bauteile auf Basis intelligenter Hybridmaterialien beitragen.
Low Valent Magnesium Chemistry with a Super Bulky β‐Diketiminate Ligand
Authors: Gentner Thomas Xaver , Rösch Bastian , Ballmann Gerd , Langer Jens , Elsen Holger , Harder Sjoerd
Published: November 2018

The steric bulk of the well‐known DIPPBDI ligand (CH[C(CH3)N‐DIPP]2, DIPP=2,6‐diisopropylphenyl) was increased by replacing isopropyl for isopentyl groups. This very bulky DIPePBDI ligand could not stabilize the radical species (DIPePBDI)Mg.: reduction of (DIPePBDI)MgI with Na gave (DIPePBDI)2Mg2 with a rather long Mg‐Mg bond of 3.0513(8) Å. Addition of TMEDA prior to reduction gave complex (DIPePBDI)2Mg2(C6H6), which could also be obtained as its THF adduct. It is speculated that combination of a bulky spectator ligand and TMEDA prevents dimerization of the intermediate MgI radical, which then reacts with the benzene solvent. Complex (DIPePBDI)2Mg2(C6H6), which formally contains the anti‐aromatic anion C6H62−, reacted with tBuOH as a Brønsted base to 1,3‐ and 1,4‐cyclohexadiene and with H2 as a two electron donor to (DIPePBDI)2Mg2H2 and C6H6. It also reductively cleaved the C−F bond in fluorobenzene and gave (DIPePBDI)MgPh, (DIPePBDI)MgF, and C6H6.
Spin in a Closed‐Shell Organic Molecule on a Metal Substrate Generated by a Sigmatropic Reaction
Authors: Bocquet Marie‐Laure , Lorente Nicolas , Berndt Richard , Gruber Manuel
Published: November 2018

Inert metal surfaces present more chances of hosting organic intact radicals than other substrates, but large amounts of delocalized electronic states favor charge transfer and thus spin quenching. Lowering the molecule–substrate interaction is a usual strategy to stabilize radicals on surfaces. In some works, thin insulating layers were introduced to provide a controllable degree of electronic decoupling. Recently, retinoid molecules adsorbed on gold have been manipulated with a scanning tunneling microscope (STM) to exhibit a localized spin, but calculations failed to find a radical derivative of the molecule on the surface. Now the formation of a neutral radical spatially localized in a tilted and lifted cyclic end of the molecule is presented. An allene moiety provokes a perpendicular tilt of the cyclic end relative to the rest of the conjugated chain, thus localizing the spin of the dehydrogenated allene in its lifted subpart. DFT calculations and STM manipulations give support to the proposed mechanism.
Pnictogen‐Based Enzymatic Phenol Biosensors: Phosphorene, Arsenene, Antimonene, and Bismuthene
Authors: Mayorga‐Martinez Carmen C. , Gusmão Rui , Sofer Zdeněk , Pumera Martin
Published: November 2018

Two‐dimensional materials have allowed for great advances in the biosensors field and to obtain sophisticated, smart, and miniaturized devices. In this work, we optimized a highly sensitive and selective phenol biosensor using 2D pnictogens (phosphorene, arsenene, antimonene, and bismuthene) as sensing platforms. Exfoliated pnictogen were obtained by the shear‐force method, undergoing delamination and downsizing to thin nanosheets. Interestingly, compared with the other tested elements, antimonene exhibited the highest degree of exfoliation and the lowest oxidation‐to‐bulk ratio, to which we attribute its enhanced performance in the phenol biosensor system reported here. The proposed design represents the first biosensor approach developed using exfoliated pnictogens beyond phosphorene.
Hydrogen‐Bonding‐Regulated Supramolecular Nanostructures and Impact on Multivalent Binding
Authors: Sikder Amrita , Ray Debes , Aswal Vinod K. , Ghosh Suhrit
Published: November 2018

Herein we describe the H‐bonding‐regulated nanostructure, thermodynamics, and multivalent binding of two bolaamphiphiles NDI‐1 and NDI‐2 consisting of a hydrophobic naphthalene diimide connected to a hydrophilic wedge by a H‐bonding group and a glucose moiety on its two arms. NDI‐1 and NDI‐2 differ by the single H‐bonding group, namely, hydrazide or amide, which triggers the formation of vesicles and cylindrical micelles, respectively. Although the extended H‐bonding ensures stacking with head‐to‐head orientation and the formation of an array of the appended glucose moieties in both systems, the adaptive cylindrical structure exhibited superior multivalent binding with concanavalin A (ConA) to that of the vesicle. A control amphiphile lacking a H‐bonding group assembled with a random lateral orientation to produce spherical micelles without any notable multivalent binding.
A unique combination of KI/ZnFe2O4 as a catalyst for oxidative Strecker reaction
Authors: Ghandi Leila , Kazemi Miraki Maryam , Karimi Meghdad , Radfar Iman , Heydari Akbar
Published: November 2018

α‐Aminonitriles as key intermediates for the preparation of α‐amino acid derivatives, amides, diamines, peptides, proteins and heterocycles were synthesized through methylarene oxidation in the Strecker reaction using a unique combination of KI/ZnFe2O4 as the best catalyst and aqueous tert‐butyl hydroperoxide as oxidant. A wide range of amines and methylarenes were converted to the corresponding products. Operational simplicity, short reaction time and recyclability of the catalyst are advantages of this protocol.
Genetic Gain for Soybean Seed Protein, Oil, and Yield in a Recombinant Inbred Line Population
Authors: Wiggins Benjamin , Wiggins Suzannah , Cunicelli Mia , Smallwood Chris , Allen Fred , West Dennis , Pantalone Vince
Published: November 2018

The use of soybean [Glycine max (L.) Merrill] is widespread, with applications in food, fuel, livestock feed, and industrial products. We developed a soybean population of 239 F4‐derived recombinant inbred lines (RIL) from the cross “5601T” × U99‐310255 to estimate the heritability and genetic gain for seed protein, oil, and yield, and to assess the utility of making selections for these important traits. Heritability estimates on an entry means basis for protein (0.78), oil (0.65), seed yield (0.38) varied by trait with regard to genetic influence. Genetic gain was calculated for each trait at 5%, 10%, 15%, and 20% selection intensities. With the genetic gain that was obtained through the selections for each trait, some lines excelled above that of the checks and parents in this population. The second and third highest yielding selections (56U99‐081 and 56U99‐244) are notable in producing 50.2% and 49.8% meal protein, respectively, while maintain high yields above the high‐yielding parent, 5601T. Seeking balance for these important soybean traits is essential for breeders looking to make optimal improvements for the wide variety of soybean uses. Further research on this population could prove to be of value to breeding programs wishing to increase seed yield, oil, and protein.
Effects of Filtration on the Quality Properties of Extra Virgin Olive Oils during Storage
Authors: Köseoğlu Oya , Sevim Didar , Kadiroğlu Pınar
Published: November 2018

In this study, the effects of filtration on quality parameters, chemical characteristics, antioxidant activity, and oxidative stability (OS) of Turkish olive oils during the storage period of 12 months were investigated. The olive oil free acidity (% oleic acid per 100 g of olive oil) (free fatty acidity, FFA), peroxide values (PV) (meq O2 kg−1 oil), and UV spectrophotometric indices (K232 and K270 measurements) were used for evaluating the quality parameters of olive oils. α‐tocopherol analysis, total phenolic content (TPC), total chlorophyll and carotenoid analyses, and 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH•) radical‐scavenging activity (RSA) assays were carried out. Chromatographic methods were applied to determine the fatty‐acid and triacylglycerol (TAG) composition, the content of methyl and ethyl esters (FAEE and FAME), and the content of fatty acids of olive oils. Univariate and multivariate statistical methods were performed to evaluate results. Univariate data analysis results showed that filtration of Ayvalık, Memecik, and Domat olive oils had no considerable influence on quality parameters, antioxidant compounds, FAEE and FAME, antioxidant activity, and OS, except TPC (P < 0.05). A significant difference between the samples was determined regarding storage times of the olive oils. Principal component analysis (PCA) analysis revealed that olive oils were grouped according to storage periods of the olive oils regarding fatty‐acid and triacylglycerol (TAG) composition while there was no clear separation among the samples according to the filtration process. However, qualitative and quantitative changes took place on minor and major components of olive oils during the storage period.
Review: The Regenerating Tail Blastema of Lizards as a Model to Study Organ Regeneration and Tumor Growth Regulation in Amniotes
Authors: Alibardi Lorenzo
Published: November 2018

Tail regeneration in lizards is a unique case of organ regeneration among amniotes. The Review summarizes past and recent studies indicating that tail regeneration utilizes numerous signaling pathways typical for tumor growth. The regenerative blastema‐cone contains sparse proliferating cells that utilize coding and noncoding RNAs in an environment rich in water and hyaluronate, as typical for tumor outgrowth. Differently from tumors, the blastema appears as a polarized outgrowth where the distal region contains proliferating cells mainly driven by the up‐regulation of Wnt, snoRNAs, and associated onco‐genes. The down‐regulation of immune‐genes coupled with the high production of hyaluronate coating blastema cells likely protect them from attach by immune cells. Immunoevasion of blastema cells allows the proliferation and migration necessary for the morphogenesis of a new tail. Transcriptome and immunolabeling data suggest that gradients for wnts, shh, msx, and signaling receptors are present in the tail blastema. It is hypothesized that cells along these gradients activate different genes, including tumor suppressors that are expressed in more proximal regions where cells stop proliferating and differentiate into tissues of the new tail. The continuous proliferation at the apex of the blastema is turned into a regulated growth in more proximal regions near the original tail. In contrast, it is hypothesized that no or nonresponding gradients of signaling proteins are present in tumor outgrowths so that cell proliferation but no differentiation occurs in expanding tumors. Considering signaling gradients, the lizard model of regeneration can help in understanding the lack of regulation of tumor growth. Anat Rec, 302:1469–1490, 2019. © 2018 American Association for Anatomy
Geophysical prospection and archaeological excavation of ancient iron smelting sites in the Barun‐Khal valley on the western shore of Lake Baikal (Olkhon region, Siberia)
Authors: Kozhevnikov Nikolay O. , Kharinsky Arthur V. , Snopkov Sergey V.
Published: November 2018

In 1997, an ancient iron production site, Barun‐Khal 2, was discovered in the Barun‐Khal valley (Olkhon region, near the west shore of Lake Baikal). This discovery initiated studies of the archaeometallurgical potential of the valley. They included magnetometry, resistivity, self‐potential (SP) and radiometric surveys, archaeological excavation, analysis of chemical composition and magnetism of slag and other residuals, and radiocarbon dating of charcoal samples. As expected, the most efficient was the magnetometric survey. Despite challenging field conditions such as geology‐related magnetic anomalies of large amplitude and contrast, the magnetometer survey in the Barun‐Khal valley resulted in the discovery of another iron production site, Barun‐Khal 3. Using the magnetometry, the general structure of the sites was studied and the places of excavation were determined. The resistivity, SP and radiometric techniques, as well as magnetic survey were useful in studying near‐surface geology and recent geological history. Excavations have found well‐preserved slag‐tapping bloomery furnaces built into the sides of a large pit (Barun‐Khal 2) or a trench (Barun‐Khal 3). According to radiocarbon dating, iron production began here within the second and third centuries bc and lasted until the seventh to the eleventh centuries ad. The significance of the works in the Barun‐Khal valley is determined by the fact that there exist significant gaps in the coverage of Russia (including Siberia) with archaeometallurgical studies. Most available papers on the archaeometallurgical activity in Siberia were not published in English until now. For the first time, the study of ancient iron production sites in the Olkhon region was considered as an independent scientific task and carried out using both geophysical and archaeological methods.
Overview on neural tube defects: From development to physical characteristics
Authors: Avagliano Laura , Massa Valentina , George Timothy M. , Qureshy Sarah , Bulfamante Gaetano Pietro , Finnell Richard H.
Published: November 2018

Neural tube defects (NTDs) are the second most common congenital malformations in humans affecting the development of the central nervous system. Although NTD pathogenesis has not yet been fully elucidated, many risk factors, both genetic and environmental, have been extensively reported. Classically divided in two main sub‐groups (open and closed defects) NTDs present extremely variable prognosis mainly depending on the site of the lesion. Herein, we review the literature on the histological and pathological features, epidemiology, prenatal diagnosis, and prognosis, based on the type of defect, with the aim of providing important information based on NTDs classification for clinicians and scientists.
Pharmacokinetics, bioavailability and metabolism of scopoletin in dog by ultra‐high‐performance liquid chromatography combined with linear ion trap–Orbitrap tandem mass spectrometry
Authors: Zhao Ya‐Xin , Wang Meng , Dong Wan‐Ting , Li Yang
Published: November 2018

A highly sensitive and selective method based on ultra‐high‐performance liquid chromatography combined with linear ion trap–Orbitrap tandem mass spectrometry (UHPLC–LTQ–Orbitrap–MS) has been developed and validated for the determination of scopoletin in dog plasma. The analyte was extracted from plasma samples using acetonitrile and separated on an Acquity UPLC BEH C18 column (50 × 2.1 mm, 1.7 μm) with 0.05% ammonium hydroxide and acetonitrile as mobile phase. The developed method was linear over the concentration range of 1–500 ng/mL, with a correlation coefficient >0.9988. The intra‐ and inter‐day precisions (RSD) were <8.93% while the accuracy (RE) ranged from −6.50 to 8.12%. Extraction recovery, matrix effect and stability for dog plasma samples were within the required limits. The validated method has been successfully applied to investigate the pharmacokinetics and metabolism of scopoletin in dog plasma after intravenous (1 mg/kg) and oral (10, 25, 50 mg/kg) administration. The results revealed that (a) scopoletin showed short elimination half‐life in dog; (b) its oral bioavailability was low (within the range of 5.69–7.08%); (c) scopoletin showed dose‐independent pharmacokinetic profiles in dog plasma over the dose range of 10–50 mg/kg; and (d) glucuronidation was the predominant metabolic pathway in dog.
The anatomy of concussion and chronic traumatic encephalopathy: A comprehensive review
Authors: Singla Amit , Leineweber Bridget , Monteith Stephen , Oskouian Rod J. , Tubbs R. Shane
Published: November 2018

Concussion is defined as a complex pathophysiological process that affects the brain as a result of traumatic biomechanical forces. Repeated unrecovered concussions can result in chronic brain injury syndrome which is referred to in the literature today as chronic traumatic encephalopathy.” There is an exponential increase in public and political interest in this condition in the recent times resulting in a significant investment in research to improve the current understanding of the disease, ways to decrease its incidence and determine its prognosis. Broadly the research involves three main disciplines of medicine including neuropathology, neuroradiology and biological markers. Although progress has been made, to date there is no definite pathological, radiological or neurobiological marker which has shown consistent promise to make the diagnosis and prognosticate the disease. Possible reasons are multiple such as inconsistencies in the methods studies have used, different time periods in which the tests were conducted, the small numbers of subjects included in the studies, and inconsistencies in the definitions of concussion or mild traumatic brain injury. Herein, we present a comprehensive review of the current literature on this topic. Positron emission tomography scans with radioactive ligands such as T807 as an imaging biomarker, and neurofilament light and ubiquitin C‐terminal hydrolase as serum biomarkers have shown some promise lately in diagnosing concussion and chronic traumatic encephalopathy and also determining their prognosis. Clin. Anat. 32:310–318, 2019. © 2018 Wiley Periodicals, Inc.
Sober social networks: The role of online support groups in recovery from alcohol addiction
Authors: Bliuc Ana‐Maria , Doan Tuyet‐Ngan , Best David
Published: November 2018

In the context of addiction research, positive recovery outcomes are affected by the quality of people's social interactions and perhaps to an even greater extent, by the defining norms of the groups they identify with—that is, using versus recovery groups. Here, we examine the role of online supportive networks in the process of recovery from alcohol addiction. We analyse the relationship between negative and positive aspects of recovery capital (i.e., self‐stigma, and respectively, positive recovery identity and self‐efficacy) as they relate to well‐being outcomes among alcohol users in an online recovery support group. Based on a computerised linguistic analysis of the naturally occurring data extracted from an online recovery support group (i.e., 257 posts made by 237 group members), we found that self‐stigma negatively predicts self‐efficacy and well‐being, and social identification with a recovery identity mediates these relationships. Overall, these findings highlight that positive engagement with supportive recovery networks is central to an effective and sustainable recovery.
Reduce legal risk, protect student‐athletes via proactive heat‐related protocol
Authors: O'Brien Timothy
Published: November 2018

The tragic death of University of Maryland football player Jordan McNair from heatstroke in June 2018 garnered national attention at the time and on numerous occasions since then. Additional details are still emerging as the university continues to investigate and review the incident.
Diverse Synthesis of Natural Trehalosamines and Synthetic 1,1′‐Disaccharide Aminoglycosides
Authors: Lu Yen‐Chu , Mondal Soumik , Wang Ching‐Chi , Lin Chun‐Hung , Mong Kwok‐Kong Tony
Published: November 2018

A general strategy for the diverse synthesis of ten disaccharide aminoglycosides, including natural 2‐trehalosamine (1), 3‐trehalosamine (2), 4‐trehalosamine (3), and neotrehalosyl 3,3′‐diamine (8) and synthetic aminoglycosides 4–7, 9, and 10, has been developed. The aminoglycoside compounds feature different anomeric configurations and numbers of amino groups. The key step for the synthesis was the glycosylation coupling of a stereodirecting donor with a configuration‐stable TMS glycoside acceptor. Either the donor or acceptor could be substituted with an azido group. The aminoglycosides prepared in the present study were characterized by 1D and 2D NMR spectroscopy.
Exploring the Effect of Gold Support on the Oxygen Reduction Reaction Activity of Metal Porphycenes
Authors: Anand Megha , Siahrostami Samira , Nørskov Jens K.
Published: November 2018

It has been a long‐standing goal to find alternative, cost effective catalysts for oxygen reduction reaction (ORR) in fuel cells. Molecular complexes capable of efficiently catalyzing ORR, when supported on a conducting solid surface could provide interesting hybrid materials combining the best of homogeneous and heterogeneous catalysis. We use density functional theory to study the ORR activity of molecular (unsupported) and gold supported 3d metal (II)‐porphycenes (MPc). All the 3d metal‐porphycenes adsorb strongly on the Au(111) support with negative free energy of formation ranging from 1.0–3.0 eV while solvation lowers the energy of molecular MPc by only 0.5 eV compared to the gas phase. These indicate that the 3d MPc are stable and anchored firmly to the gold surface under ORR conditions. Based on our analysis, the gold support enhances the ORR activity in some of the examined MPc systems. We find that the molecular MnPc and FePc are the best ORR electrocatalysts with theoretical overpotentials of 0.44 V and 0.36 V. This work highlights the important role of the support in preserving/increasing the activity of molecular catalyst.
Heat‐Treatment‐Assisted Molten‐Salt Strategy to Enhance Electrochemical Performances of Li‐Rich Assembled Microspheres by Tailoring Their Surface Features
Authors: Li Baoyun , Zhang Dan , Li Guangshe , Fan Jianming , Chen Dandan , Ge Yongxin , Li Liping
Published: November 2018

Constructing Li‐rich Mn‐based layered oxide (LMRO) assembled microspheres with fast kinetics and a stable surface will significantly improve discharge capacity and cyclic stability. In this work, a heat‐treatment‐assisted (HA) molten‐salt (MS) strategy has been designed to prepare LMRO assembled microspheres HA‐MS‐LMRO (LMRO with heat‐treatment‐assisted molten‐salt process). Electrochemical measurements demonstrate that HA‐MS‐LMRO possesses superior performance as a cathode for lithium‐ion batteries. It delivers an initial discharge capacity of 181 mA h g−1 at 200 mA g−1, which is much higher than that of the LMRO (145 mA h g−1). After 100 cycles, the capacity retention ratio for HA‐MS‐LMRO is 74.69 %, which is far larger than that of LMRO (23.06 %). Detailed analysis of the structure, valence state, and electrochemical impedance spectra shows that the heat‐treatment‐assisted molten‐salt process plays an important role in the excellent performance of HA‐MS‐LMRO. The HA process enables the transition‐metal ions in the synthesized samples to have stable surface valence states, which is conducive to maintaining structural stability and improving cycling performance. The following MS process facilitates the movement of lithium salt into the interior of the assembled microsphere precursors to prohibit the formation of lithium‐containing amorphous compounds on the surface during the lithiation process, thus enhancing the Li‐ion kinetics and increasing the initial discharge capacity. The current work provides guidance to promote the electrochemical performances of assembled microsphere cathode materials.
Gas and Liquid Analysis at the ACHEMA 2018
Authors: Bleil Stefan , Fabinski Walter , Finken Ferdinand
Published: November 2018

Der Aufsatz berichtet über neue Produkte und Technologietrends in der Prozessautomation zu den auf der ACHEMA 2018 vorgestellten Gas‐ und Flüssigkeitsanalysatoren. Die Produkte sind nach Herstellern gegliedert und mit Angaben zu den eingesetzten Messverfahren, Einsatzgebieten und Zulassungen beschrieben. Neben der Prozessmesstechnologie sind auch die Systeme aus den Bereichen des Umwelt‐, Personen‐ und Anlagenschutzes sowie der Sicherheits‐Messtechnik angeführt. Dargestellt sind auch die neuen Möglichkeiten, die sich durch Vernetzung und durchgängige Kommunikation für die Systeme ergeben.
Sex‐differences in post‐discharge outcomes among patients hospitalized for atrial fibrillation
Authors: Kalesan Bindu , Kundu Amartya , Vaze Aditya , Pino Elizabeth , Walkey Allan J. , Vasan Ramachandran S , McManus David D.
Published: November 2018

Background

Patients with atrial fibrillation (AF) are at risk for both thromboembolic and bleeding complications. While the risk for thromboembolism is higher among women with AF than men, the sex‐related differences in post‐discharge outcomes after hospitalization is not clearly understood.

Hypothesis

Compared to men, women hospitalized for AF are at a higher risk of both thromboembolic and bleeding complications.

Methods

We conducted a retrospective cohort study using data from the 2013 to 2014 Nationwide Readmission Database (NRD), to compare outcomes among men and women, ≥50 years of age after hospitalization for AF. The primary patient outcome was all‐cause rehospitalization at 90‐days after initial hospitalization. Survey‐weighted Cox proportional hazard regression models were used to estimate the hazard ratios (HR) and their 95% confidence intervals (CI) for bleeding events at 30, 60, 90, and 270 days after hospitalization.

Results

From the 28 million patients in the NRD, we identified 522 521 individuals with an index hospitalization for AF. Compared to men, women hospitalized for AF accounted for 53.3% of the cohort and had higher rates of thrombotic (1.7%, 1.4%) and bleeding complications (1.4%, 1.1%). After adjustment, the 90‐day risk among women vs men was significantly greater; all‐cause rehospitalization (24.2%, 17.0%; HR = 1.07, 95% CI = 1.05‐1.09), rehospitalization related to ischemic stroke (0.6%, 0.3%; HR 1.31, 95% CI = 1.14‐1.51), pulmonary embolism (0.4%, 0.2%; HR 1.21, 95% CI = 1.01‐1.45), and any thrombotic event (1.3%, 0.7%; HR 1.20, 95% CI = 1.09‐1.32).

Conclusions

Hospitalization for AF is common and frequently associated with both in‐hospital complications and readmission, which were more commonly observed among women with AF. Further research into epidemiological factors and treatment differences between men and women with AF is warranted.
Assembly of Fully Substituted 2H‐Indazoles Catalyzed by Cu2O Rhombic Dodecahedra and Evaluation of Anticancer Activity
Authors: Panchangam Rajeeva Lochana , Manickam Venkatraman , Chanda Kaushik
Published: November 2018

Simultaneous C−N, and N−N bond‐forming methods for one‐pot transformations are highly challenging in synthetic organic chemistry. In this study, the Cu2O rhombic dodecahedra‐catalyzed synthesis of 2H‐indazoles is demonstrated with good to excellent yields from readily available chemicals. This one‐pot procedure involves Cu2O nanoparticle‐catalyzed consecutive C−N, and N−N bond formation followed by cyclization to yield 2H‐indazoles with broad substrate scope and high functional group tolerance. Various cell‐based bioassay studies demonstrated that 2H‐indazoles inhibit the growth of cancer cells, typically through induction of apoptosis in a dose‐dependent manner. Moreover, 2H‐indazoles tested in the MDA‐MB‐468 cell line were capable of inhibiting cancer cell migration and invasion. Thus, it is shown that 2H‐indazoles have potent in vitro anticancer activity that warrant further investigation of this compound class.
The antitumor effects of entinostat in ovarian cancer require adaptive immunity
Authors: Smith Haller J. , McCaw Tyler R. , Londono Angelina I. , Katre Ashwini A. , Meza‐Perez Selene , Yang Eddy S. , Forero Andres , Buchsbaum Donald J. , Randall Troy D. , Straughn, Jr J. Michael , Norian Lyse A. , Arend Rebecca C.
Published: November 2018

Background

Ovarian cancer is poorly immunogenic; however, increased major histocompatibility complex class II (MHCII) expression correlates with improved immune response and prolonged survival in patients with ovarian cancer. The authors previously demonstrated that the histone deacetylase inhibitor entinostat increases MHCII expression on ovarian cancer cells. In the current study, they evaluated whether entinostat treatment and resultant MHCII expression would enhance beneficial immune responses and impair tumor growth in mice with ovarian cancer.

Methods

C57BL/6 mice bearing intraperitoneal ID8 tumors were randomized to receive entinostat 20 mg/kg daily versus control. Changes in messenger RNA (mRNA) expression of 46 genes important for antitumor immunity were evaluated using NanoString analysis, and multicolor flow cytometry was used to measure changes in protein expression and tumor‐infiltrating immune cells.

Results

Entinostat treatment decreased the growth of both subcutaneously and omental ID8 tumors and prolonged survival in immunocompetent C57BL/6 mice. NanoString analysis revealed significant changes in mRNA expression in 21 of 46 genes, including increased expression of the MHCI pathway, the MHCII transactivator (CIITA), interferon γ, and granzyme B. C57BL/6 mice that received entinostat had increased MHCII expression on omental tumor cells and a higher frequency of tumor‐infiltrating, CD8‐positive T cells by flow cytometry. In immunocompromised mice, treatment with entinostat had no effect on tumor size and did not increase MHCII expression.

Conclusions

In the current murine ovarian cancer model, entinostat treatment enhances beneficial immune responses. Moreover, these antitumor effects of entinostat are dependent on an intact immune system. Future studies combining entinostat with checkpoint inhibitors or other immunomodulatory agents may achieve more durable antitumor responses in patients with ovarian cancer.
Outcomes of very high‐risk prostate cancer after radical prostatectomy: Validation study from 3 centers
Authors: Sundi Debasish , Tosoian Jeffrey J. , Nyame Yaw A. , Alam Ridwan , Achim Mary , Reichard Chad A. , Li Jianbo , Wilkins Lamont , Schwen Zeyad , Han Misop , Davis John W. , Klein Eric A. , Schaeffer Edward M. , Stephenson Andrew J. , Ross Ashley E. , Chapin Brian F.
Published: November 2018

Background

Among men with localized high‐risk prostate cancer (PCa), patients who meet very high‐risk (VHR) criteria have been shown to experience worse outcomes after radical prostatectomy (RP) in a previous study. Variations of VHR criteria have been suggested to be prognostic in other single‐center cohorts, but multicenter outcomes validating VHR criteria have not been described. This study was designed to validate VHR criteria for identifying which PCa patients are at greatest risk for cancer progression.

Methods

Patients with high‐risk PCa undergoing RP (2005‐2015) at 3 tertiary centers were pooled. The outcomes of men with VHR PCa were compared with the outcomes of those who did not meet VHR criteria. The high‐risk criteria were a clinical stage of T3 to T4, a prostate‐specific antigen level > 20 ng/mL, or a biopsy Gleason grade sum of 8 to 10. The VHR criteria were multiple high‐risk features, >4 biopsy cores with a Gleason grade sum of 8 to 10, or primary Gleason grade pattern 5. Biochemical recurrence, metastasis (METS), and cancer‐specific mortality (CSM) were assessed with competing risks regressions. Overall mortality was assessed with Cox survival models.

Results

Among 1981 patients with high‐risk PCa, men with VHR PCa (n = 602) had adverse pathologic outcomes: 37% versus 25% for positive margins and 37% versus 15% for positive lymph nodes (P <  .001 for both comparisons). Patients with VHR PCa also had higher adjusted hazard ratios for METS (2.78; 95% confidence interval [CI], 2.08‐3.72), CSM (6.77; 95% CI, 2.91‐15.7), and overall mortality (2.44; 95% CI, 1.56‐3.80; P <  .001 for all comparisons).

Conclusions

In a validation study of patients who underwent treatment for high‐risk PCa, VHR criteria were strongly associated with adverse pathologic and oncologic outcomes.
Good Citizenship Made Easy: A Step‐by‐Step Guide to Submitting RNA‐Seq Data to NCBI
Authors: Feindt Wiebke , Oppenheim Sara J. , DeSalle Robert , Mehr Shaadi
Published: November 2018

The analysis of transcriptome data from non‐model organisms contributes to our understanding of diverse aspects of evolutionary biology, including developmental processes, speciation, adaptation, and extinction. Underlying this diversity is one shared feature, the generation of enormous amounts of sequence data. Data availability requirements in most journals oblige researchers to make their raw transcriptome data publicly available, and the databases housed at the National Center for Biotechnology Information (NCBI) are a popular choice for data deposition. Unfortunately, the successful submission of raw sequences to the Sequence Read Archive (SRA) and transcriptome assemblies to the Transcriptome Shotgun Assembly (TSA) can be challenging for novice users, significantly delaying data availability and publication. Here we present two comprehensive protocols for submitting RNA‐Seq data to NCBI databases, accompanied by an easy‐to‐use website that facilitates the timely submission of data by researchers of any experience level. © 2018 by John Wiley & Sons, Inc.
Alchemist: An Apache Spark ⇔ MPI interface
Authors: Gittens Alex , Rothauge Kai , Wang Shusen , Mahoney Michael W. , Kottalam Jey , Gerhardt Lisa , Prabhat  , Ringenburg Michael , Maschhoff Kristyn
Published: November 2018

The Apache Spark framework for distributed computation is popular in the data analytics community due to its ease of use, but its MapReduce‐style programming model can incur significant overheads when performing computations that do not map directly onto this model. One way to mitigate these costs is to off‐load computations onto MPI codes. In recent work, we introduced Alchemist, a system for the analysis of large‐scale data sets. Alchemist calls MPI‐based libraries from within Spark applications, and it has minimal coding, communication, and memory overheads. In particular, Alchemist allows users to retain the productivity benefits of working within the Spark software ecosystem without sacrificing performance efficiency in linear algebra, machine learning, and other related computations. In this paper, we discuss the motivation behind the development of Alchemist, and we provide a detailed overview of its design and usage. We also demonstrate the efficiency of our approach on medium‐to‐large data sets, using some standard linear algebra operations, namely, matrix multiplication and the truncated singular value decomposition of a dense matrix, and we compare the performance of Spark with that of Spark+Alchemist. These computations are run on the NERSC supercomputer Cori Phase 1, a Cray XC40.
Navigating tensions in a cross‐sector social partnership: How a convener drives change for sustainability
Authors: van Hille Iteke , de Bakker Frank G.A. , Ferguson Julie E. , Groenewegen Peter
Published: November 2018

In this paper, we study conveners' work in establishing change towards sustainability through cross‐sector social partnerships (CSSPs). Applying a paradox lens, we offer a new perspective on tensions in CSSPs: These are not hurdles or challenges to overcome in order to reach success but endure throughout the entire CSSP process. This insight changes the role of the convener, who no longer has to overcome but has to navigate tension. We focus on two tensions related to the convener role: the convener as leader but without formal authority over CSSP‐partners and the convener as both stakeholder and (neutral) facilitator in the process. Through a case study on a CSSP in the Dutch timber sector, we explain how a convener (Forest Stewardship Council Netherlands) responded to these tensions over time. We add to literatures on CSSPs and convening by outlining the relevance of a paradox perspective in this domain.
Deep ultraviolet lasers for flow cytometry
Authors: Telford William , Georges Thierry , Miller Clint , Voluer Pascal
Published: November 2018

Modern flow cytometers require multiple laser wavelengths to excite the wide variety of fluorescent probes now available for high‐dimensional analysis. Ultraviolet (UV) lasers (typically solid state 355 nm) have become a critical excitation source for the Brilliant Ultraviolet (BUV) series of polymer fluorochromes. The BUV dyes have pushed the number of fluorescent probes available for simultaneous analysis to nearly 30, allowing an unprecedented level of precision for immune cell analysis. However, immunologists are already seeking analyze more than 30 simultaneous parameters, requiring both new fluorochromes and corresponding laser wavelengths. A group of polymer dyes requiring deep ultraviolet (UV) excitation (~280–300 nm) is currently under development, allowing the expansion of high‐dimensional cytometry beyond the current 30 color limit. In this study, we evaluated a newly available laser emitting at 280 nm as a possible laser source for exciting these dyes. Since deep UV polymer dyes are not yet available, we used quantum nanoparticles (Qdots) as a surrogate probe to assess the utility of this laser wavelength for flow cytometry. Deep UV laser light was found to excite Qdots as well as traditional UV sources. Deep UV 280 nm did not excite BUV dyes well, suggesting that BUV and deep UV polymers will be spectrally compatible with low crossbeam spillover issues. Deep UV excitation did excite considerable autofluorescence in the violet to blue range, a limitation that will need to guide deep UV fluorochrome development. A deep UV 280 nm laser may therefore be the next essential wavelength for high‐dimensional flow cytometry. © 2018 International Society for Advancement of Cytometry
Spatial variation in throughfall, soil, and plant water isotopes in a temperate forest
Authors: Goldsmith Gregory R. , Allen Scott T. , Braun Sabine , Engbersen Nadine , González‐Quijano Clara R. , Kirchner James W. , Siegwolf Rolf T.W.
Published: November 2018

Studies of stable isotopes of water in the environment have been fundamental to advancing our understanding of how water moves through the soil–plant–atmosphere continuum; however, much of this research focuses on how water isotopes vary in time, rather than in space. We examined the spatial variation in the δ18O and δ2H of throughfall and bulk soil water, as well as branch xylem and bulk leaf water of Picea abies (Norway spruce) and Fagus sylvatica (beech), in a 1‐ha forest plot in the northern Alps of Switzerland. Means and ranges of water isotope ratios varied considerably among throughfall, soil, and xylem samples. Soil water isotope ratios were often poorly explained by soil characteristics and often not predictable from proximal samples. Branch xylem water isotope values varied less than either soil water or bulk leaf water. The isotopic range observed within an individual tree crown was often similar to that observed among different crowns. As a result of the heterogeneity in isotope ratios, inferences about the depth of plant root water uptake drawn from a two end‐member mixing model were highly sensitive to the soil sampling location. Our results clearly demonstrate that studies using water isotopes to infer root water uptake must explicitly consider how to characterize soil water, incorporating measures of both vertical and lateral variations. By accounting for this spatial variation and the processes that shape it, we can improve the application of water isotopes to studies of plant ecophysiology, ecohydrology, soil hydrology, and palaeoclimatology.
Moonlight enhances growth in larval fish
Authors: Shima Jeffrey S. , Swearer Stephen E.
Published: November 2018

Moonlight mediates trophic interactions and shapes the evolution of life‐history strategies for nocturnal organisms. Reproductive cycles and important life‐history transitions for many marine organisms coincide with moon phases, but few studies consider the effects of moonlight on pelagic larvae at sea. We evaluated effects of moonlight on growth of pelagic larvae of a temperate reef fish using “master chronologies” of larval growth constructed from age‐independent daily increment widths recorded in otoliths of 321 individuals. We found that daily growth rates of fish larvae were enhanced by lunar illumination after controlling for the positive influence of temperature and the negative influence of cloud cover. Collectively, these results indicate that moonlight enhances growth rates of larval fish. This pattern is likely the result of moonlight's combined effects on foraging efficiency and suppression of diel migrations of mesopelagic predators, and has the potential to drive evolution of marine life histories.
Having it all? The implications of public health and environmental protection partnerships in the American states
Authors: Hopper JoyAnna S.
Published: November 2018

To save money and avoid redundancy, states may choose to combine complementary areas of policy implementation into a single bureaucratic agency or ministry. This is often the case with environmental protection, a policy area that is inarguably interdisciplinary in its aims and functions. A number of scholars have noted that the combination of policy mandates may lead to the neglect of certain agency functions, particularly when one of the mandates is regulatory whereas the other is nonregulatory in nature. However, what occurs when environmental protection is combined with a seemingly complementary and relevant policy area, such as public health? In this article, I argue that the combination of these policy areas will lead to the elevation of public health goals and preferences over those of environmental enforcement. Using the American states as a case, I find through interviews with environmental and public health employees, text analysis, and empirical analyses that public health functions and goals are prioritized within combined agencies. That prioritization leads to fewer punitive actions taken by the agencies during the regulatory process. Given the popularity of “multitask” agencies, it is imperative to understand how even the most convenient and reasonable combinations may affect day‐to‐day environmental protection efforts.
Corporate reporting and conservation realities: Understanding differences in what businesses say and do regarding biodiversity
Authors: Smith Thomas , Paavola Jouni , Holmes George
Published: November 2018

Businesses are increasingly called on to participate in tackling biodiversity loss, but the extent of corporate commitments to act is unclear. We have a limited understanding of differences in perceptions and actions regarding biodiversity across business sectors. Doubts also remain concerning the reliability of corporate reporting as a window into business involvement in biodiversity. This paper tackles these uncertainties by using formal corporate reporting and interviews with managers and stakeholders about actions regarding biodiversity as the evidence base. Taking the cases of forestry and salmon farming in Chile, it finds sectoral differences are influenced by distinct regulatory settings and forms of stakeholder engagement. Whilst reporting serves as a partial window into each sector, manager interviews and stakeholder accounts indicate firms in both sectors perceive biodiversity primarily as a reputational risk rather than a core responsibility. In both cases, businesses have used formal corporate reporting to mask negative impacts, and it has failed to leverage fundamental reform. The findings indicate that formal reporting can only ever play a partial role in understanding and motivating business action on biodiversity. Stakeholder views and the particularities of local contexts must be more clearly articulated to ensure businesses undertake substantive rather than symbolic action on their impacts. The paper concludes by reflecting on implications for Natural Capital reporting and identifies limitations and avenues for future research.