bluuebunny/crossref_metadata_2025 huggingface dataset:
Conservation strategies for understanding and combating the primate bushmeat trade on Bioko Island, Equatorial Guinea
Authors: Cronin Drew T. , Sesink Clee Paul R. , Mitchell Matthew W. , Bocuma Meñe Demetrio , Fernández David , Riaco Cirilo , Fero Meñe Maximiliano , Esara Echube Jose Manuel , Hearn Gail W. , Gonder Mary Katherine
Published: April 2017

Bioko Island, Equatorial Guinea is among the important places in Africa for the conservation of primates, but a cultural preference for bushmeat and a lack of effective law enforcement has encouraged commercial bushmeat hunting, threatening the survival of the remaining primate population. For over 13 years, we collected bushmeat market data in the Malabo market, recording over 35,000 primate carcasses, documenting “mardi gras” consumption patterns, seasonal carcass availability, and negative effects resulting from government intervention. We also conducted forest surveys throughout Bioko's two protected areas in order to localize and quantify primate populations and hunting pressure. Using these data, we were able to document the significant negative impact bushmeat hunting had on monkey populations, estimate which species are most vulnerable to hunting, and develop ecological niche models to approximate the distribution of each of Bioko's diurnal primate species. These results also have allowed for the identification of primate hotspots, such as the critically important southwest region of the Gran Caldera Scientific Reserve, and thus, priority areas for conservation on Bioko, leading to more comprehensive conservation recommendations. Current and future efforts now focus on bridging the gap between investigators and legislators in order to develop and effectively implement a management plan for Bioko's Gran Caldera Scientific Reserve and to develop a targeted educational campaign to reduce demand by changing consumer attitudes toward bushmeat. Using this multidisciplinary approach, informed by biological, socioeconomic, and cultural research, there may yet be a positive future for the primates of Bioko.
Social care and migration policy in Australia: Emerging intersections?
Authors: Adamson Elizabeth , Cortis Natasha , Brennan Deborah , Charlesworth Sara
Published: April 2017

Migrants are important both as providers and users of paid care services in Australia, yet migration has rarely featured in Australian strategies to grow and sustain the paid care workforce. Correspondingly, Australia is rarely mentioned in the international scholarship on care and migration that has burgeoned since the 1990s. This article shows the ways that service providers, consumer advocates, unions and scholars have begun to bring migration into debates about workforce growth in two of Australia's most significant areas of paid care: aged care and childcare. Drawing on submissions to national enquiries in both areas, we identify the actors who have sought to adjust Australia's migration settings to respond to growing demand for care, and explain the rationales – which differ between the sectors – underlying their advocacy for change.
“Learning to become a better man”: Insights from a fathering programme for incarcerated Indigenous men
Authors: Rossiter Chris , Power Tamara , Fowler Cathrine , Jackson Debra , Roche Michael , Dawson Angela
Published: April 2017

This paper reports a qualitative study of incarcerated Indigenous fathers in Australia, using a framework of generative fathering. Researchers interviewed 28 imprisoned Indigenous men about their experiences of parenting and their responses to a parenting programme. Participants identified how the programme supported their learning and their capacity to embrace the role of parenting the next generation. Responses indicate that the programme's format and content were relevant to their experience as Indigenous fathers, and enhanced by the skills of the facilitator, and provision of a safe learning environment. It facilitated their growth as individuals and as parents through acknowledging their cultural identity and roles.
Safe at home? Housing decisions for women leaving family violence
Authors: Diemer Kristin , Humphreys Cathy , Crinall Karen
Published: April 2017

Internationally, domestic violence policy has shifted towards supporting women to stay at home with the perpetrator of violence excluded. However, the practical realities indicate that this is a complex arena in which the rhetoric of rights for “women and children to stay in their own home” needs to be underpinned by additional support to provide safety and protection for those choosing this option. The current study examines decision making about accommodation options and the role of civil protection orders among 138 women accessing domestic violence support services in Victoria Australia. It shines a light on the intersection between justice responses and the housing needs of women and their children leaving a violent relationship. Our findings reveal that for this sample of women, staying in their own home left them more open to breaches of intervention orders than those who re‐located. In spite of the frequency of breaching, a majority of women believed that they were safer with the protective order in place. We conclude that supporting women to “stay at home” with the perpetrator removed may be a pathway to safety for only a minority of women particularly if support from police and courts is not proactive and reliable.
Low‐Temperature Atomic Layer Deposition of MoS2 Films
Authors: Jurca Titel , Moody Michael J. , Henning Alex , Emery Jonathan D. , Wang Binghao , Tan Jeffrey M. , Lohr Tracy L. , Lauhon Lincoln J. , Marks Tobin J.
Published: April 2017

Wet chemical screening reveals the very high reactivity of Mo(NMe2)4 with H2S for the low‐temperature synthesis of MoS2. This observation motivated an investigation of Mo(NMe2)4 as a volatile precursor for the atomic layer deposition (ALD) of MoS2 thin films. Herein we report that Mo(NMe2)4 enables MoS2 film growth at record low temperatures—as low as 60 °C. The as‐deposited films are amorphous but can be readily crystallized by annealing. Importantly, the low ALD growth temperature is compatible with photolithographic and lift‐off patterning for the straightforward fabrication of diverse device structures.
Dynamic Gradient Directed Molecular Transport and Concentration in Hydrogel Films
Authors: Tsai Tsung‐Han , Ali Mohammad A. , Jiang Zhelong , Braun Paul V.
Published: April 2017

Materials which selectively transport molecules along defined paths offer new opportunities for concentrating, processing and sensing chemical and biological agents. Here, we present the use of traveling ionic waves to drive molecular transport and concentration of hydrophilic molecules entrained within a hydrogel. The traveling ionic wave is triggered by the spatially localized introduction of ions, which through a dissipative ion exchange process, converts quaternary ammonium groups in the hydrogel from hydrophilic to hydrophobic. Through a reaction–diffusion process, the hydrophobic region expands with a sharp transition at the leading edge; it is this sharp gradient in hydrophilicity that drives the transport of hydrophilic molecules dispersed within the film. The traveling wave moved up to 450 μm within 30 min, while the gradient length remained 20 μm over this time. As an example of the potential of molecular concentration using this approach, a 70‐fold concentration of a hydrophilic dye was demonstrated.
Untersuchung unabhängiger N‐H‐ und N‐C‐Bindungsverformungen auf ultrakurzen Zeitskalen mit resonanter inelastischer Röntgenstreuung
Authors: Eckert Sebastian , Norell Jesper , Miedema Piter S. , Beye Martin , Fondell Mattis , Quevedo Wilson , Kennedy Brian , Hantschmann Markus , Pietzsch Annette , Van Kuiken Benjamin E. , Ross Matthew , Minitti Michael P. , Moeller Stefan P. , Schlotter William F. , Khalil Munira , Odelius Michael , Föhlisch Alexander
Published: April 2017

Die Femtosekundendynamik nach resonanten Photoanregungen mit optischen und Röntgenpulsen ermöglicht eine selektive Verformung von chemischen N‐H‐ und N‐C‐Bindungen in 2‐Thiopyridon in wässriger Lösung. Die Untersuchung der orbitalspezifischen elektronischen Struktur und ihrer Dynamik auf ultrakurzen Zeitskalen mit resonanter inelastischer Röntgenstreuung an der N1s‐Resonanz am Synchrotron und dem Freie‐Elektronen‐Laser LCLS in Kombination mit quantenchemischen Multikonfigurationsberechnungen erbringen den direkten Nachweis dieser kontrollierten photoinduzierten Molekülverformungen und ihrer ultrakurzen Zeitskala.
Solvent‐Assisted Metal Metathesis: A Highly Efficient and Versatile Route towards Synthetically Demanding Chromium Metal–Organic Frameworks
Authors: Wang Jun‐Hao , Zhang Ying , Li Mian , Yan Shu , Li Dan , Zhang Xian‐Ming
Published: April 2017

Chromium(III)‐based metal–organic frameworks (Cr‐MOFs) are very attractive in a wide range of investigations because of their robustness and high porosity. However, reports on Cr‐MOFs are scarce owing to the difficulties in their direct synthesis. Recently developed postsynthetic routes to obtain Cr‐MOFs suffered from complicated procedures and a lack of general applicability. Herein, we report a highly efficient and versatile strategy, namely solvent‐assisted metal metathesis, to obtain Cr‐MOFs from a variety of FeIII‐MOFs, including several well‐known MOFs and a newly synthesized one, through judicious selection of a coordinating solvent. The versatility of this strategy was demonstrated by producing Cr‐MIL‐100, Cr‐MIL‐142A/C, Cr‐PCN‐333, and Cr‐PCN‐600 from their FeIII analogues and Cr‐SXU‐1 from a newly synthesized MOF precursor, Fe‐SXU‐1, in acetone as the solvent under very mild conditions. We have thus developed a general approach for the preparation of robust Cr‐MOFs, which are difficult to synthesize by direct methods.
Energieresonanzkreuzung steuert die Photolumineszenz von Europium‐Antennensonden
Authors: Zhang Qiangqiang , Wu Liangliang , Cao Xiaoyan , Chen Xuebo , Fang Weihai , Dolg Michael
Published: April 2017

Die Energietransferpfade in Lanthanoid‐Antennensonden können im Rahmen der gegenwärtig verfügbaren Modelle nicht vollständig berechnet werden; ihre Aufklärung bleibt daher eine Herausforderung. Auf Grundlage quantenchemischer Ab‐initio‐Berechnungen typischer Eu‐Antennenkomplexe wird ein neuartiges Energieresonanzmodell vorgeschlagen, das von einer umfassenden Nonett‐Quintett‐Intersystemkreuzung aufgrund von Spin‐Bahn‐Kopplung in den Unterniveaus der beteiligten Zustände gesteuert wird.
Reversible Oxidative Addition at Carbon
Authors: Eichhorn Antonius F. , Fuchs Sonja , Flock Marco , Marder Todd B. , Radius Udo
Published: April 2017

The reactivity of N‐heterocyclic carbenes (NHCs) and cyclic alkyl amino carbenes (cAACs) with arylboronate esters is reported. The reaction with NHCs leads to the reversible formation of thermally stable Lewis acid/base adducts Ar‐B(OR)2⋅NHC (Add1–Add6). Addition of cAACMe to the catecholboronate esters 4‐R‐C6H4‐Bcat (R=Me, OMe) also afforded the adducts 4‐R‐C6H4Bcat⋅cAACMe (Add7, R=Me and Add8, R=OMe), which react further at room temperature to give the cAACMe ring‐expanded products RER1 and RER2. The boronate esters Ar‐B(OR)2 of pinacol, neopentylglycol, and ethyleneglycol react with cAAC at RT via reversible B−C oxidative addition to the carbene carbon atom to afford cAACMe(B{OR}2)(Ar) (BCA1–BCA6). NMR studies of cAACMe(Bneop)(4‐Me‐C6H4) (BCA4) demonstrate the reversible nature of this oxidative addition process.
Thermal conductivity measurement of biological materials: a case study in moderate ambient temperatures
Authors: Markowski Marek , Ropelewska Ewa , Kołakowski Piotr
Published: April 2017

This study analyzed the influence of temperature on the thermal conductivity and thermal capacity of kefir grains during heating and cooling in the temperature range between 3 and 30 °C. The correlations between the thermal conductivity vs temperature of kefir grains during heating differed from those observed during cooling. During heating, the thermal conductivity of kefir grains decreased from 0.46 to 0.40 W m−1 K−1 according to the Arrhenius law. During cooling, the thermal conductivity remained stable at 0.36 ± 0.03 W m−1 K−1. The observed differences in the behavior of thermal conductivity of heated and cooled kefir grains could be related to the stimulating impact of heat on microbial activity inside the grains. The maximum thermal capacity of 3776 J kg−1 K−1 was noted at 9.3 °C and the minimum thermal capacity of 2987 J kg−1 K−1, – at 30.0 °C. In‐depth knowledge of the thermal properties of kefir grains can contribute to improving their efficiency and optimizing the kefir production process. © 2017 Curtin University of Technology and John Wiley & Sons, Ltd.
Characterization and cell response of electrospun Rana chensinensis skin collagen/poly(l‐lactide) scaffolds with different fiber orientations
Authors: Zhang Mei , Li Ziqi , Jiang Pan , Lin Tong , Li Xueqi , Sun Dahui
Published: April 2017

Collagen was extracted from Rana chensinensis skin supplied from byproducts via an acid enzymatic extraction method. The R. chensinensis skin collagen (RCSC) and poly(l‐lactide) (PLLA) were blended at a 3:7 ratio in 1,1,1,3,3,3‐hexafluoroisopropanol (HFIP) at a concentration of 10% (g/mL) and electrospun to produce nanofibers in an aligned and random orientation. For comparison, pure PLLA nanofibrous membranes with aligned and random nanofiber orientations were also produced. The secondary structure of the RCSC nanofibers was investigated by circular dichroism to confirm that the extracted substance was collagen. The presence of collagen in the blend nanofiber was verified by LSCM. The blended nanofibers showed uniform, smooth, and bead‐free morphologies and presented a smaller fiber diameter (278 and and 259 nm) than the pure the ones of PLLA (559 and and 439 nm) nanofibers. It was found that the addition of RCSC and the modification of the nanofiber's orientation affected the fiber's diameter and the crystallization of PLLA. The cell viability studies with human fibroblast cells demonstrated that the RCSC/PLLA nanofibrous membranes formed by electrospinning exhibited good biocompatibility and that the aligned scaffolds could regulate the cell morphology by inducing cell orientation. The empirical results in this study indicated that the aligned RCSC/PLLA nanofibrous membrane is a potential wound dressing candidate for skin regeneration. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45109.
Mechanically enhanced electrically conductive films from polymerization of 3,4‐ethylenedioxythiophene with wood microfibers
Authors: Hafez Islam , Yang Han‐Seung , Tze William Tai Yin
Published: April 2017

This study was aimed at enhancing the mechanical properties of poly(3,4‐ethylenedioxythiophene)/poly(styrene sulfonate) (PEDOT:PSS) using wood microfibers. Ultra fine friction grinding was conducted on wood particles to reduce their size to the micron scale and to induce fibrillation. Oxidative polymerization was performed on 3,4‐ethylenedioxythiophene (EDOT) monomer at seven dosages based on the content of microfibers in the formulation. The presence of PEDOT:PSS in the prepared films was verified by infrared spectroscopy and scanning electron microscopy. The composite films became stronger and stiffer as the fiber content increased. An EDOT:microfibers ratio of 33 wt % was considered the best among the seven tested levels, judging from their low sheet resistivity (340 Ω/sq.) and favorable tensile properties (38 MPa strength and 4.8 GPa stiffness). The selected films were also tested for their resistance to solvents to obtain information about their potential use in different environments. Among the tested solvents, sodium hydroxide greatly decreased the film conductivity. It also had the harshest effect on reducing the weight of the film. Findings from this study demonstrate the successful use of wood microfibers alternative to synthetic substrates and cellulose nanofiber as a supportive and reinforcing material for electrically conductive polymers. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45127.
Artificial reefs as a reef restoration strategy in sediment‐affected environments: Insights from long‐term monitoring
Authors: Ng Chin Soon Lionel , Toh Tai Chong , Chou Loke Ming
Published: April 2017

Artificial reefs provide substrates that facilitate the rapid recruitment of marine biota such as corals and fish, and are commonly employed as coral restoration tools to assist recovery in degraded areas. While this strategy is successful in the immediate years post‐deployment, its contribution to restoration over longer time scales is less well understood.

The biological communities on Reef Enhancement Units (REUs), which had been deployed for more than a decade on Singapore's sediment‐affected coral reefs, were surveyed.

The diversity of sessile lifeforms on the REUs was significantly higher in 2014 (H′ = 1.03) than 2004 (H′ = 0.60). Hard corals and coralline algae contributed most to the temporal dissimilarity and turf algae remained the dominant lifeform category in both years.

In 2014, hard corals and abiotic components contributed most to the spatial dissimilarity among the six REU plots that were surveyed. Shannon diversity values of these plots ranged from 0.74–1.3. Scleractinian cover ranged from 0.4–31.5% and differed significantly among the plots.

The REUs also augmented ecosystem functioning at their respective plots. Colonies from 10 of the 30 scleractinian genera recorded were sexually mature, and a total of 119 sessile and mobile reef taxa utilized the REUs for food and habitat.

The results demonstrate that artificial reefs can contribute to the development of biological communities and ecosystem functioning in degraded coral habitats over the long run, and underscore the need for long‐term monitoring to validate the effectiveness of reef restoration efforts.
Genetic population structure of harbour seals in the United Kingdom and neighbouring waters
Authors: Olsen Morten Tange , Islas Valentina , Graves Jeff A. , Onoufriou Aubrie , Vincent Cecile , Brasseur Sophie , Frie Anne Kirstine , Hall Ailsa J.
Published: April 2017

In the United Kingdom (UK), several harbour seal (Phoca vitulina) populations have been declining over the past decade. In order to understand the effect of these changes in abundance, this study seeks to determine the population structure of harbour seals in the UK, and in Scotland in particular, on a wider and finer spatial scale than has previously been reported.

Harbour seals were genotyped from 18 different localities throughout the UK and neighbouring localities in mainland Europe, at 12 microsatellite loci. Results from Bayesian and frequency based tests of population structure suggested an initial structural division into two main groups consisting of localities in northern UK and southern UK–mainland Europe, respectively.

These two clusters were further divided into four geographically distinct genetic clusters.

An overall agreement between the genetic results and the existing management areas for UK harbour seals was observed, but it is also clear that an adaptive management approach should be adopted, in which the delineation of the current management areas is maintained until further genetic and ecological information has been accumulated and analysed.
Non‐native marine species in north‐west Europe: Developing an approach to assess future spread using regional downscaled climate projections
Authors: Townhill Bryony , Pinnegar John , Tinker Jonathan , Jones Miranda , Simpson Stephen , Stebbing Paul , Dye Stephen
Published: April 2017

1. Climate change can affect the survival, colonization and establishment of non‐native species. Many non‐native species common in Europe are spreading northwards as seawater temperatures increase. The similarity of climatic conditions between source and recipient areas is assumed to influence the establishment of such species, however, in a changing climate those conditions are difficult to predict.

2. A risk assessment methodology has been applied to identify non‐native species with proven invasive qualities that have not yet arrived in north‐west Europe, but which could become problematic in the future. Those species with the highest potential to become established or be problematic have been taken forward, as well as some that may be economically beneficial, for species distribution modelling to determine future potential habitat distributions under projected climate change.

3. In the past, species distribution models have usually made use of low resolution global environmental datasets. Here, to increase the local resolution of the distribution models, downscaled shelf seas climate change model outputs for north‐west Europe were nested within global outputs. In this way the distribution model could be trained using the global species presence data including the species' native locations, and then projected using more comprehensive shelf seas data to understand habitat suitability in a potential recipient area.

4. Distribution modelling found that habitat suitability will generally increase further north for those species with the highest potential to become established or problematic. Most of these are known to be species with potentially serious consequences for conservation. With caution, a small number of species may present an opportunity for the fishing industry or aquaculture. The ability to provide potential future distributions could be valuable in prioritizing species for monitoring or eradication programmes, increasing the chances of identifying problem species early. This is particularly important for vulnerable infrastructure or protected or threatened ecosystems.
Embryogenesis of the Uropygial Glands in the Laysan Albatross (Phoebastria immutabilis (Rothschild, 1893): Procellariiformes)
Authors: Rehorek S.J. , Wu J.L. , Smith T.D. , Beeching S.C.
Published: April 2017

An avian uropygial gland is located on the mid‐dorsum of the tail, and is the only external gland found in birds. Most studies have focused on the function, gross anatomy and chemical nature of this gland, with little research on its ontogeny. The purpose of this study was to examine the development of this gland in a series of Laysan Albatross (Phoebastria immutabilis) embryos. Specimens were examined anatomically and histologically. It was found that grooves preceded glandular development by many stages. The embryogenesis of the uropygial gland was divided into 6 phases: preinception, groove inception, mesodermal separation, migrating mesodermal cells, oval shaped “depressions”, constriction and finally glandular inception. No other gland is known to develop similarly, though there may be parallels with femoral gland development. In comparison to other bird species, the length of the development period in the Albatross, as well as other compounding factors, make it difficult to determine the significance of these observations. The development of a mesodermal band, soon to be a connective tissue capsule, is more complex than originally described in ducks. Thus, the unique nature of this gland is established, but the significance of the observations required further studies into uropygial gland development. Anat Rec, 300:1420–1428, 2017. © 2017 Wiley Periodicals, Inc.
Regioselective Synthesis of the FXR Antagonist E‐Guggulsterone from Three Natural Steroids
Authors: Chin Jungwook , Hahn Dongyup , Won Dong Hwan , Cho Sung Jin , Kim Kyung‐Hee , Ham Jungyeob , Kang Heonjoong
Published: April 2017

In our attempt to develop a method to synthesize E‐ and Z‐guggulsterones [antagonists of farnesoid X receptor (FXR)], we have succeeded in synthesizing E‐guggulsterone selectively from three steroids, viz, 4‐androsten‐3, 17‐dione (2), 5‐androsten‐3β‐ol‐17‐one (DHEA) (3), and testosterone (4), in 68, 86 and 62% overall yield, respectively. We also investigated the biological effects of the synthetic E‐ and Z‐guggulsterones and found that E‐guggulsterone was more potent than Z‐guggulsterone in inhibiting FXR transactivation
Evoked potential changes in patients with Parkinson's disease
Authors: Liu Chunyan , Zhang Yaping , Tang Weiguo , Wang Binda , Wang Bona , He Songbin
Published: April 2017

Objective

Patients with Parkinson's disease (PD) may have sensory dysfunction, and it can be more easily demonstrated through electrophysiologic testing. We aimed to explore whether the impairment of brainstem visual and auditory passageway exists in PD patients using visual evoked potential (VEP) and brainstem auditory evoked potential (BAEP) examinations.

Methods

Forty‐two PD cases and thirty controls participated in the study. All subjects underwent the VEP and BAEP examinations. The N75, P100, N145 latencies and P100 amplitude of VEP, the latencies of waves I, III, V and the interpeak latencies (IPL) of waves I–III, III–V, I–V were measured.

Results

The N75, P100, N145 latencies of VEP, but not the amplitude of P100, were significantly longer in patients with PD than the control group (p < .05). The latencies of wave III and wave V, the IPL of III–V and I–V were all significantly increased compared with control subjects while no significant difference was noted in waves I and I–III IPL.

Conclusion

Our results found that brainstem visual and auditory passageway may be impaired in PD patients.

Significance

VEP and BAEP can be served as sensitive measurements in helping prognosis and assessment the severity of the disease.
Interactive computer simulations for standing waves
Authors: Radinschi Irina , Fratiman Vladut , Ciocan Vasilica , Cazacu Marius‐Mihai
Published: April 2017

Interactive computer simulations and learning environments like virtual laboratories come out as an excellent alternative to conventional physics laboratories. Two of the physics laboratories from the second semester within the Faculty of Civil Engineering and Building Services of “Gheorghe Asachi” Technical University are focused on the study of standing waves. Standing waves are very important in the field of Civil Engineering because the structural integrity of buildings can be affected by standing waves and the mechanical resonance phenomenon. A good understanding of the properties of standing waves will make the properly constructed structures withstand various risk factors. Some improperly constructed structures could damage or breakdown even in the presence of vibrations or strong winds. This paper presents the computer simulations developed for the study of the standing waves on a vibrating string and the propagation of electromagnetic standing waves in a Lecher system. For both simulations, the canvas element, part of HTML5 standard, is used to draw the graphics animations. Also, many control components and some external JavaScript libraries are used to perform the virtual applications. Further, these computer simulations are posted on the virtual physics laboratory web‐site and thus, students are able to engage in more productive self or group activities. © 2017 Wiley Periodicals, Inc. Comput Appl Eng Educ 25:521–529, 2017; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21818
A New Methodology for Incorporating Chiral Linkers into Stapled Peptides
Authors: Serrano Juan C. , Sipthorp James , Xu Wenshu , Itzhaki Laura S. , Ley Steven V.
Published: April 2017

Stapled peptides have arisen as a new class of chemical probe and potential therapeutic agents for modulating protein–protein interactions. Here, we report the first two‐component i,i+7 stapling methodology that makes use of two orthogonal, on‐resin stapling reactions to incorporate linkers bearing a chiral centre into a p53‐derived stapled peptide. Post‐stapling modifications to the chain were performed on‐resin and enabled rapid access to various peptide derivatives from a single staple. The stapled peptides have increased helicity, protease stability and in vitro binding affinities to MDM2 compared to the equivalent unstapled peptide. This approach can be used to generate a library of diverse stapled peptides with different properties starting from a single stapled peptide, with scope for much greater functional diversity than that provided by existing stapling methodologies.
Influence of Solution Composition and Temperature on the Crystal Form of Sodium Dehydroacetate
Authors: Zhang Xia , Yin Qiuxiang , Hou Baohong , Bao Ying , Gong Junbo , Rohani Sohrab
Published: April 2017

The slurry transformation of sodium dehydroacetate monohydrate with different compositions of water and methanol was investigated. The water content and temperature did not only affect the solubility but also the crystal form of the precipitated material. A new needle hydrate form of sodium dehydroacetate appeared on the surface of the anhydrate when the water content was between 2 % and the critical transformation values which varied with temperature. The results revealed that the needle hydrate was a new form of sodium dehydroacetate monohydrate. A possible explanation for these observations was found in the relationship between the change of water content, the interaction between solute and solvent, and the influence of supersaturation.
Ni−Zn Alloy Nanosheets Arrayed on Nickel Foamas a Promising Catalyst for Electrooxidation of Hydrazine
Authors: Wu Lin‐Song , Dai Hong‐Bin , Wen Xiao‐Ping , Wang Ping
Published: April 2017

The development of cost‐effective electrocatalysts is a key issue to promote the practical application of hydrazine as a viable energy carrier. Herein, a nickel‐foam‐supported Ni−Zn alloy catalyst is synthesized by electrodeposition and anodic dissolution methods. The developed catalyst with an opennanowall network structure and robust adhesion exhibits high activity and good durability for electrooxidation of hydrazine in an alkaline medium. For example, a current density of 300 mA cm−2at 0.40 Vand an onset potential of −0.15 V vs. the reversible hydrogen electrode are achieved in a 0.10 M hydrazine and 1.0 M NaOH solution at 30 °C. Phase and structure analysis by XRD, SEM, and XPS is conducted to gain insight into the excellent catalytic performance of theNi−Zn alloy catalyst. Such an understanding is of particular importance in the design of efficient non‐precious catalysts.
High‐dimensional QSAR classification model for anti‐hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty
Authors: Algamal Zakariya Yahya , Lee Muhammad Hisyam , Al‐Fakih Abdo M. , Aziz Madzlan
Published: April 2017

This study addresses the problem of the high‐dimensionality of quantitative structure‐activity relationship (QSAR) classification modeling. A new selection of descriptors that truly affect biological activity and a QSAR classification model estimation method are proposed by combining the sparse logistic regression model with a bridge penalty for classifying the anti‐hepatitis C virus activity of thiourea derivatives. Compared to other commonly used sparse methods, the proposed method shows superior results in terms of classification accuracy and model interpretation.
Process monitoring based on entropy weight for a subspace containing probabilistic principal components and fault‐relevant noise factors
Authors: Zhu Tianxian , Huang Jian , Yan Xuefeng
Published: April 2017

Probabilistic principal component analysis (PPCA) is widely used in process monitoring and has achieved effective fault detection and online fault identification. However, the relationship between fault information and certain probabilistic principal components has not been explicitly mapped. Therefore, fault information might be scattered across 2 different subspaces when probabilistic principal components are selected subjectively based on variance. Moreover, although the maximum useful information is collected into a new subspace by the selected elements, a large amount of useless information might cover up the fault‐relevant information. Considering these shortcomings, weighted PPCA based on entropy method and moving window (EMW‐PPCA) is applied in this study to improve the monitoring performance of traditional PPCA. After building a traditional PPCA model through normal observations, EMW‐PPCA proposes a novel strategy to identify and extract as much fault‐relevant information as possible from the residual subspace and then integrates the selected fault‐relevant noise factors into the dominant subspace to create a new specific subspace for process monitoring. The entropy method is applied to this new subspace to define the importance degree of each direction and evaluate the weighting values objectively. Then, the weighting values are assigned to each of the corresponding elements to highlight the fault‐relevant information for online monitoring within a moving window. Case studies on a simple numerical example are conducted, and the Tennessee Eastman process is applied to validate the effectiveness of the EMW‐PPCA scheme.
Spin States of Homochiral and Heterochiral Isomers of [Fe(PyBox)2]2+ Derivatives
Authors: Burrows Kay E. , McGrath Sarah E. , Kulmaczewski Rafal , Cespedes Oscar , Barrett Simon A. , Halcrow Malcolm A.
Published: April 2017

The following iron(II) complexes of 2,6‐bis(oxazolinyl)pyridine (PyBox; LH) derivatives are reported: [Fe(LH)2][ClO4]2 (1); [Fe((R)‐LMe)2][ClO4]2 ((R)‐2; LMe=2,6‐bis{4‐methyloxazolinyl}pyridine); [Fe((R)‐LPh)2][ClO4]2 ((R)‐3) and [Fe((R)‐LPh)((S)‐LPh)][ClO4]2 ((RS)‐3; LPh=2,6‐bis{4‐phenyloxazolinyl}pyridine); and [Fe((R)‐LiPr)2][ClO4]2 ((R)‐4) and [Fe((R)‐LiPr)((S)‐LiPr)][ClO4]2 ((RS)‐4; LiPr=2,6‐bis{4‐isopropyloxazolinyl}pyridine). Solid (R)‐3⋅MeNO2 exhibits an unusual very gradual, but discontinuous thermal spin‐crossover with an approximate T
of 350 K. The discontinuity around 240 K lies well below T
, and is unconnected to a crystallographic phase change occurring at 170 K. Rather, it can be correlated with a gradual ordering of the ligand conformation as the temperature is raised. The other solid compounds either exhibit spin‐crossover above room temperature (1 and (RS)‐3), or remain high‐spin between 5–300 K [(R)‐2, (R)‐4 and (RS)‐4]. Homochiral (R)‐3 and (R)‐4 exhibit more twisted ligand conformations and coordination geometries than their heterochiral isomers, which can be attributed to steric clashes between ligand substituents [(R)‐3]; or, between the isopropyl substituents of one ligand and the backbone of the other ((R)‐4). In solution, (RS)‐3 retains its structural integrity but (RS)‐4 undergoes significant racemization through ligand redistribution by 1H NMR. (R)‐4 and (RS)‐4 remain high‐spin in solution, whereas the other compounds all undergo spin‐crossover equilibria. Importantly, T
for (R)‐3 (244 K) is 34 K lower than for (RS)‐3 (278 K) in CD3CN, which is the first demonstration of chiral discrimination between metal ion spin states in a molecular complex.
Carboranes as Aryl Mimetics in Catalysis: A Highly Active Zwitterionic NHC‐Precatalyst
Authors: Selg Christoph , Neumann Wilma , Lönnecke Peter , Hey‐Hawkins Evamarie , Zeitler Kirsten
Published: April 2017

Invited for the cover of this issue are the groups of Kirsten Zeitler and Evamarie Hey‐Hawkins at the University of Leipzig. The image depicts the carborane catalyst being a result of a long hatching process that eventually provides the starting point of a new member of the NHC‐catalyst family. Read the full text of the article at 10.1002/chem.201700209.
A hierarchical screening approach to enantiomeric separation
Authors: Evertsson Emma , Rönnberg Julia , Stålring Jonna , Thunberg Linda
Published: April 2017

The screening of a number of chiral stationary phases (CSPs) with different modifiers in supercritical fluid chromatography to find a chromatographic method for separation of enantiomers can be time‐consuming. Computational methods for data analysis were utilized to establish a hierarchical screening strategy, using a dataset of 110 drug‐like chiral compounds with diverse structures tested on 15 CSPs with two different modifiers. This dataset was analyzed using a combinatorial algorithm, principal component analysis (PCA), and a correlation matrix. The primary goal was to find a set of eight columns resolving a large number of compounds, but also having complementary enantioselective properties. In addition to the hereby defined hierarchical experimental strategy, quantitative structure enantioselective models (QSERs) were evaluated. The diverse chemical space and relatively limited size of the training set reduced the accuracy of the QSERs. However, including separation factors from other CSPs increased the accuracies of the QSERs substantially. Hence, such combined models can support the experimental strategy in prioritizing the CSPs of the second screening phase, when a compound is not separated by the primary set of columns.
Amine‐functionalized CuBTC/poly(ether‐b‐amide‐6) (Pebax® MH 1657) mixed matrix membranes for CO2/CH4 separation
Authors: Khosravi Tayebeh , Omidkhah Mohammadreza , Kaliaguine Serge , Rodrigue Denis
Published: April 2017

CuBTC and NH2‐CuBTC metal organic frameworks (MOF) were used to produce mixed matrix membranes (MMM) with a block copolymer of poly(ether‐b‐amide‐6) (Pebax® MH 1657) as the polymer matrix to investigate the effect of amine functionalized group (–NH2) on the CO2/CH4 gas separation performance of the MMM. The MOF were fully characterized by XRD, FTIR‐ATR, TGA, N2, CO2, and CH4 adsorption, while the MMM were characterized using FTIR‐ATR, TGA, DSC, and SEM. Permeability and selectivity of the MMM were studied at different MOF mass contents (5 to 20 g/g) and feed pressures (0.3 to 1.5 MPa) for pure and mixed gases. The CO2 permeability for 20 g/g of both Pebax/CuBTC and Pebax/NH2‐CuBTC MMMs was nearly twice that of the neat polymeric membrane, while the presence of amine functionalized group in NH2‐CuBTC produced an increasing trend of CO2/CH4 ideal selectivity at high NH2‐CuBTC loading and about a 60 % increase was observed at 20 g/g of NH2‐CuBTC.
Ultrasound‐assisted extraction of radish seed oil with methyl acetate for biodiesel production
Authors: da Silva Sandra Beserra , dos Santos Garcia Vitor Augusto , Arroyo Pedro Augusto , da Silva Camila
Published: April 2017

This study evaluated the extraction of radish seed oil (Raphubus sativus L.) for application in biodiesel production. The experiments were performed in a process assisted by ultrasound using methyl acetate as the solvent, seeking to evaluate the effects of the process parameters, such as time, temperature, and solvent‐to‐seed ratio, on the oil yield, and to establish the conditions that maximize the oil extraction yield. Conventional extraction was performed for comparative purposes. The extraction time had the greatest influence on the ultrasound‐assisted extraction (UAE) for the experimental range evaluated, followed by the temperature and amount of solvent. The maximum oil recovery (33 %) was obtained for the experiment conducted at 60 °C and a solvent‐to‐seed ratio of 10 mL/g with an extraction time of 90 min. The application of ultrasound influenced the oil yield and at 120 min a yield of 33 % was obtained. Oleic and erucic acids were the main fatty acids identified in the radish seed oil. The fatty acid composition and physico‐chemical characteristics of the oils obtained were not influenced by the extraction method, but the use of ultrasound had a stronger influence on the removal of phytosterols.
A Selective Fluorescent Sensor for Fast Detection of Hydrogen Sulfide in Red Wine
Authors: Chen Qiwen , Xing Panfei , Xu Yongqian , Li Hongjuan , Sun Shiguo
Published: April 2017

Based on the reaction between the azido group and hydrogen sulfide (H2S), BTN, an off‐on fluorescent sensor was synthesized, which exhibited a 20‐fold fluorescence enhancement upon addition of H2S, and a 5.6 × 10−8 mol/L detection limit can be reached in 10 min. To check its applicability, an easy prepared test paper strip of BTN was made for rapid and selective detection of hydrogen sulfide in red‐wine samples, the detection limit is as low as 1 µmol/L. Copyright © 2017 John Wiley & Sons, Ltd.
Overall survival with ponatinib versus allogeneic stem cell transplantation in Philadelphia chromosome‐positive leukemias with the T315I mutation
Authors: Nicolini Franck E. , Basak Grzegorz W. , Kim Dong‐Wook , Olavarria Eduardo , Pinilla‐Ibarz Javier , Apperley Jane F. , Hughes Timothy , Niederwieser Dietger , Mauro Michael J. , Chuah Charles , Hochhaus Andreas , Martinelli Giovanni , DerSarkissian Maral , Duh Mei Sheng , McGarry Lisa J. , Kantarjian Hagop M. , Cortes Jorge E.
Published: April 2017

BACKGROUND

Effective treatment options for patients with chronic myeloid leukemia (CML) or Philadelphia‐positive (Ph+) acute lymphoblastic leukemia (ALL) who have the threonine to isoleucine mutation at codon 315 (T315I) are few. The objective of this study was to compare overall survival (OS) between patients with CML and those with Ph+ ALL who received treatment with ponatinib versus allogeneic stem cell transplantation (allo‐SCT).

METHODS

A post hoc, retrospective, indirect comparison of OS among patients who received single‐agent ponatinib in the Ponatinib Ph+ ALL and CML Evaluation (PACE) trial with those who underwent allo‐SCT as reported to the European Bone Marrow Transplant registry, stratified by CML disease phase and Ph+ ALL, was conducted. Kaplan‐Meier survival curves and multivariate Cox proportional‐hazards models were used to compare OS between intervention groups, adjusting for time from diagnosis to intervention, age, sex, and geographic region; 24‐month and 48‐month OS rates and median OS were reported.

RESULTS

After adjustment for potential confounders, 24‐month and 48‐month OS rates were significantly higher in patients with chronic‐phase CML (CP‐CML) who received ponatinib compared with those who underwent allo‐SCT (24 months: 84% vs 60.5%, respectively; P = .004; 48 months: 72.7% vs 55.8%, respectively; P = .013), with a hazard ratio (HR) of 0.37 (95% confidence interval [CI], 0.16‐0.84; P = .017). In patients who had accelerated‐phase CML, OS rates were not significantly different between the groups (HR, 0.90; 95% CI, 0.20‐4.10; P = .889). In patients who had blast‐crisis CML and those with Ph+ ALL, ponatinib was associated with shorter OS compared with allo‐SCT (blast‐crisis CML: HR, 2.29 [95% CI, 1.08‐4.82; P = .030]; Ph+ ALL: HR, 2.77 [95% CI, 0.73‐10.56; P = .146]).

CONCLUSIONS

Although allo‐SCT remains an important treatment option for patients with T315I‐positive advanced CML and Ph+ ALL, ponatinib represents a valuable alternative for patients with T315I‐positive CP‐CML. Cancer 2017;123:2875–80. © 2017 American Cancer Society.
The role of postmastectomy radiotherapy in women with pathologic T3N0M0 breast cancer
Authors: Cassidy Richard J. , Liu Yuan , Kahn Shannon T. , Jegadeesh Naresh K. , Liu Xi , Subhedar Preeti D. , Arciero Cletus A. , Gillespie Theresa W. , Torres Mylin A.
Published: April 2017

BACKGROUND

The authors determined the impact of postmastectomy radiotherapy (PMRT) on overall survival (OS) among patients with pT3N0M0 breast cancer in the National Cancer Data Base.

METHODS

A total of 3437 patients with pT3N0M0 breast cancer who initially were treated with mastectomy between 2003 and 2011 were identified. Of these women, 1644 (47.8%) received PMRT (67% treated with chest wall RT alone and 33% treated with chest wall and regional lymph node irradiation). Univariable and multivariable analyses were conducted to identify characteristics associated with PMRT and OS. In addition, propensity score matching and interaction effect testing also were performed.

RESULTS

PMRT was associated with age <40 years, private insurance coverage, treatment facility location within 10 miles of the patient's home zip code, Charlson‐Deyo comorbidity score of 0, tumor size ≥7 cm, and treatment with chemotherapy or hormone therapy (all P<.05). PMRT was associated with improved 5‐year OS (86.3% for patients treated with PMRT vs 66.4% for patients not treated with PMRT; P<.01). In addition to PMRT (hazard ratio, 0.72; 95% confidence interval, 0.59‐0.87 [P<.01]), age ≤50 years, treatment at an academic/research program, Charlson‐Deyo comorbidity score of 0, tumor size <7 cm, chemotherapy receipt, and hormone therapy receipt were associated with improved OS on multivariable analyses (all P<.05). Interaction testing found that PMRT improved OS independent of age, facility type, Charlson‐Deyo comorbidity score, tumor grade and size, surgical margin status, and receipt of chemotherapy or hormone therapy (all P>.1). Finally, propensity score matching analysis confirmed the impact of PMRT on OS (P = .02). It is interesting to note that regional lymph node irradiation did not improve OS versus chest wall RT alone (P = .09).

CONCLUSIONS

Among patients with pT3N0M0 breast cancer in the National Cancer Data Base, PMRT was found to be associated with improved OS regardless of surgical margin status, tumor size, and receipt of systemic therapy. Cancer 2017;123:2829–39. © 2017 American Cancer Society.
Adequacy criteria for thyroid FNA evaluated by ThinPrep slides only
Authors: Vivero Marina , Renshaw Andrew A. , Krane Jeffrey F.
Published: April 2017

BACKGROUND

Adequacy criteria for thyroid fine‐needle aspiration (FNA) recommended by The Bethesda System for Reporting Thyroid Cytopathology (TBS) were developed with smears, but they are commonly applied to ThinPreps (TPs). This study evaluated adequacy in TPs at different diagnostic thresholds.

METHODS

All FNA procedures performed between 2010 and 2015 with matched surgical specimens were analyzed. Cell counts and cytological features were evaluated in all initially nondiagnostic (ND) cases. ND cases were reclassified into TBS categories by 2 pathologists, and the results were compared with surgical outcomes.

RESULTS

One hundred forty‐six of the 151 cases initially classified as ND were available for review, and they had a mean cell count of 60.5 (standard deviation, 71.4). Interobserver agreement on the reclassification of ND cases was moderate (k = 0.57), and consensus yielded 48 ND cases (33%), 72 benign cases (49%), 24 cases of atypia of undetermined significance (16%), and 2 cases suspicious for malignancy (1%). Lowering the diagnostic threshold to any follicular cells yielded a sensitivity of 92%, a specificity of 60%, a positive predictive value of 59%, a negative predictive value of 92%, and a false‐negative rate of 7.7%, whereas the values for the initially diagnostic cases were 93%, 58%, 59%, 93%, and 7.7%, respectively. Including cases with >60 cells but lacking 6 groups containing at least 10 cells did not affect test performance. Nuclear enlargement, pallor, grooves, and the presence of histiocytoid cells in initially ND FNA correlated with malignancy.

CONCLUSIONS

In thyroid FNA examined with TP only, lowering the adequacy threshold and eliminating the requirement of 6 groups of at least 10 cells did not significantly affect test performance if cytological features associated with malignancy were absent. Cancer Cytopathol 2017;125:534–43. © 2017 American Cancer Society.