bluuebunny/crossref_metadata_2025 huggingface dataset:
The Organic–Synthetic Potential of Recombinant Ene Reductases: Substrate‐Scope Evaluation and Process Optimization
Authors: Reß Tina , Hummel Werner , Hanlon Steven P. , Iding Hans , Gröger Harald
Published: March 2015

In this study an evaluation of the synthetic potential of a broad range of recombinant ene reductases was performed. In detail, a library of 23 ene reductases was used to screen the CC reduction of 21 activated alkenes from different compound classes as substrates. The chosen set of substrates comprises nitroalkenes with an aryl substituent at the β‐position and a methyl substituent at the α‐ or β‐position, α,β‐unsaturated carboxylic acids and their esters with and without substituents at the β‐position, a range of cyclic α,β‐unsaturated ketones with different ring sizes and substitution patterns and one α,β‐unsaturated boronic acid. After we obtained insight into the substrate scope, several biotransformations were prioritised and further investigated in a screening of 41 reaction parameters (which included chaotropic and kosmotropic salts, polyols, buffer solutions, amino acids and organic solvents) towards their impact on the activity and enantioselectivity of the applied ene reductases. Under the optimised conditions, selected reduction processes were performed on an increased lab scale (up to 30 mL) with up to 10 % substrate concentration, which led in general to both high conversion and (if chiral products were formed) enantioselectivity.
Mixing Performance of a Curved‐Ribbon Impeller during Blending of Food Powders
Authors: Gijón‐Arreortúa Ixchel , Tecante Alberto
Published: March 2015

The performance of a horizontal segmented curved‐ribbon impeller was evaluated in terms of mixing time and power consumption during blending of two cohesive food powders, namely normal corn starch and icing sugar. Power consumption data were correlated with bulk density and friction coefficient of the powders, impeller volume and length as well as load ratio and rotational speed by a defined relationship. Also, a dimensionless correlation between the power number and the effective cohesion number was obtained. A single generalized dimensionless power curve representing power data is provided that is able to predict the energy required for the agitation process of cohesive food powders in this particular mixer, and also may serve as an engineering tool in process design of solids mixing.
Impact of Surfactant Addition on Oxygen Mass Transfer in a Bubble Column
Authors: McClure Dale D. , Lee Ai Chia , Kavanagh John M. , Fletcher David F. , Barton Geoffrey W.
Published: March 2015

The following text is an additional technical note for: Impact of Surfactant Addition on Oxygen Mass Transfer in a Bubble Column by Dale D. McClure, Ai Chia Lee, John M. Kavanagh, David F. Fletcher, and Geoffrey W. Barton

Chem. Eng. Technol. 2015, 38 (1), 44–52. DOI: 10.1002/ceat.201400403.
One‐Pot Synthesis of Highly Emissive Dipyridinium Dihydrohelicenes
Authors: Santoro Amedeo , Lord Rianne M. , Loughrey Jonathan J. , McGowan Patrick C. , Halcrow Malcolm A. , Henwood Adam F. , Thomson Connor , Zysman‐Colman Eli
Published: March 2015

Condensation of a pyridyl‐2‐carbaldehyde derivative with 2‐(bromoethyl)amine hydrobromide gave tetracyclic pyrido[1,2‐a]pyrido[1′,2′:3,4]imidazo‐[2,1‐c]‐6,7‐dihydropyrazinium dications in excellent yields. Crystal structures and NOE data demonstrated the helical character of the dications, the dihedral angles between the two pyrido groups ranging from 28–45°. An intermediate in the synthesis was also characterized. A much brighter emission compared to literature helicenes has been found, with quantum yields as high as 60 % in the range of λ=460–600 nm. Preliminary cytotoxicity studies against HT‐29 cancer cells demonstrated moderate‐to‐good activity, with IC50 values 12–30× that of cisplatin.
Vanadium in Asymmetric Synthesis: Emerging Concepts in Catalyst Design and Applications
Authors: Takizawa Shinobu , Gröger Harald , Sasai Hiroaki
Published: March 2015

In recent years vanadium catalysis has been extended to a range of different and even complementary directions in asymmetric synthesis. Inspired by nature’s way to activate both substrate and reagent in many cases, the design of efficient bifunctional and dinuclear vanadium catalysts has been achieved. Furthermore, vanadium catalysis has been an early field in which “hybrid catalysts” have been studied in detail by incorporation of oxovanadium complexes into proteins, thus giving artificial enzymes. In addition, a high compatibility of vanadium with proteins enabled the use of vanadium chemocatalysts for combinations with enzyme catalysis in one‐pot, thus leading to dynamic kinetic resolutions. In this contribution, these three concepts of vanadium catalysis opening up new perspectives for asymmetric synthesis are reviewed.
Bridgehead Substitution via Putative Norborn‐1‐en‐3‐ones: Application in the Synthesis of Complex Molecules
Authors: Khan Faiz Ahmed , Budanur Basavaraj M. , Sudheer Chava
Published: March 2015

The base‐mediated formation of a bridgehead double bond in a bicyclo[2.2.1]heptane system (anit‐Bredt molecules) is described. The synthesis of exocyclic norbornyl enones by Wittig reaction of α‐diketones is reported. These enones and their Michael adducts are used as substrates for the generation of transient bridgehead enones and their trapping with MeOH and H2O. Bridgehead alcohols are easily synthesized from norbornyl enones and are exploited for the diversity oriented synthesis of frameworks of natural and unnatural products.
Rapid Generation and Safe Use of Carbenes Enabled by a Novel Flow Protocol with In‐line IR spectroscopy
Authors: Müller Simon T. R. , Murat Aurélien , Maillos Delphine , Lesimple Patrick , Hellier Paul , Wirth Thomas
Published: March 2015

A powerful new continuous process for the formation and use of donor/acceptor‐substituted carbenes is described. The safety profile of diazo group transfer on methyl phenylacetate was determined including kinetic studies in batch and in flow using in‐line IR analysis. Batch work‐up and liquid chromatography were circumvented by developing an optimized liquid/liquid flow separation method providing aryl diazoacetates in high purity. Fast screening of reaction conditions in flow with in‐line IR analysis allowed rapid reaction optimization. Finally, a multistep process of diazo group transfer, extraction, separation and subsequent diazo decomposition combined with multiple XH insertion reactions was established.
Platinum(II) as Bifunctional Linker in Antibody–Drug Conjugate Formation: Coupling of a 4‐Nitrobenzo‐2‐oxa‐1,3‐diazole Fluorophore to Trastuzumab as a Model
Authors: Waalboer Dennis C. J. , Muns Joey A. , Sijbrandi Niels J. , Schasfoort Richard B. M. , Haselberg Rob , Somsen Govert W. , Houthoff Hendrik‐Jan , van Dongen Guus A. M. S.
Published: March 2015

The potential of platinum(II) as a bifunctional linker in the coordination of small molecules, such as imaging agents or (cytotoxic) drugs, to monoclonal antibodies (mAbs) was investigated with a 4‐nitrobenzo‐2‐oxa‐1,3‐diazole (NBD) fluorophore and trastuzumab (Herceptin™) as a model antibody. The effect of ligand and reaction conditions on conjugation efficiency was explored for [Pt(en)(L‐NBD)Cl](NO3) (en=ethylenediamine), with L=N‐heteroaromatic, N‐alkyl amine, or thioether. Conjugation proceeded most efficiently at pH 8.0 in the presence of NaClO4 or Na2SO4 in tricine or HEPES buffer. Reaction of N‐coordinated complexes (20 equiv) with trastuzumab at 37 °C for 2 h, followed by removal of weakly bound complexes with excess thiourea, afforded conjugates with an NBD/mAb ratio of 1.5–2.9 that were stable in phosphate‐buffered saline at room temperature for at least 48 h. In contrast, thioether‐coordinated complexes afforded unstable conjugates. Finally, surface plasmon resonance analysis showed no loss in binding affinity of trastuzumab after conjugation.
Investigation of Structure–Activity Relationships of Synthetic Anti‐Gonadotropin Releasing Hormone Vaccine Candidates
Authors: Chang Chenghung , Varamini Pegah , Giddam Ashwini Kumar , Mansfeld Friederike M. , D'Occhio Michael J. , Toth Istvan
Published: March 2015

The immunoneutralization of gonadotropin‐releasing hormone (GnRH) can be used for the treatment of human hormone‐dependent male and female cancers or as immunocontraceptives in animals. Vaccine candidates 1 [Th(K‐LP)GnRH], 2 [GnRH(K‐LP)Th], 3 [GnRH(K‐Th)LP], and 4 [Th(K‐GnRH)LP] (for which K=lysine, LP=lipopeptide Ser‐Ser‐C16‐C16, and Th=T helper cell epitope influenza HA2), were synthesized by assembling a CD4+ T helper cell epitope (Th), GnRH, and an adjuvanting lipid moiety (LP) in various spatial arrangements. All compounds were efficiently taken up by antigen‐presenting cells with significant immunogenicity without an external adjuvant. Compounds 2, 3, and 4, in which GnRH is conjugated through its C terminus, produced higher GnRH‐specific antibody responses than construct 1, in which the GnRH moiety is conjugated through its N terminus. All four constructs induced a significant antiproliferative effect (up to 55 %) on GnRH‐receptor‐positive LNCaP cells, but showed weaker activity in the GnRH‐receptor‐negative SKOV‐3 cell line. Marked degenerative changes were observed in morphology and follicular development in the ovaries of immunized mice, with approximately 30 % higher degenerative antral and atretic follicles.
Final results of a phase 2 trial of clofarabine and low‐dose cytarabine alternating with decitabine in older patients with newly diagnosed acute myeloid leukemia
Authors: Kadia Tapan M. , Faderl Stefan , Ravandi Farhad , Jabbour Elias , Garcia‐Manero Guillermo , Borthakur Gautam , Ferrajoli Alessandra , Konopleva Marina , Burger Jan , Huang Xuelin , Wang Xuemei , Pierce Sherry , Brandt Mark , Feliu Jennie , Cortes Jorge , Kantarjian Hagop
Published: March 2015

BACKGROUND

The treatment of older adults with acute myeloid leukemia (AML) using standard intensive chemotherapy has been associated with poor outcomes. Effective, less toxic therapies are needed to achieve and maintain durable remissions.

METHODS

One hundred eighteen patients with newly diagnosed AML (median age, 68 years; range, 60‐81 years) were treated with a regimen of clofarabine and low‐dose cytarabine (LDAC) alternating with decitabine (DAC). The induction consisted of intravenous clofarabine at 20 mg/m2 on days 1 to 5 combined with subcutaneous LDAC at 20 mg twice daily on days 1 to 10. Responding patients were then treated with a prolonged consolidation/maintenance regimen consisting of cycles of clofarabine plus LDAC alternating with cycles of DAC.

RESULTS

The overall response rate was 68%. The complete remission (CR) rate was 60% overall, 71% for patients with a diploid karyotype, and 50% for patients with an adverse karyotype. The median overall survival (OS) was 11.1 months for all patients and 18.5 months for those achieving a CR/complete remission with incomplete platelet recovery (CRp). The median relapse‐free survival for patients achieving a CR/CRp was 14.1 months. According to a multivariate analysis, only adverse cytogenetics and a white blood cell count ≥ 10 × 109/L predicted worse OS. The regimen was well tolerated with 4‐ and 8‐week mortality rates of 3% and 7%, respectively. The most common nonhematologic adverse events were nausea, elevated liver enzymes, and rash.

CONCLUSIONS

The lower intensity, prolonged‐therapy program of clofarabine and LDAC alternating with DAC is well tolerated and highly effective in older patients with AML. Cancer 2015;121:2375–2382. © 2015 American Cancer Society.
Ambivalence in Narrative Therapy: A Comparison Between Recovered and Unchanged Cases
Authors: Ribeiro António P. , Gonçalves Miguel M. , Silva Joana R. , Brás Andreia , Sousa Ines
Published: March 2015

Research on the identification of poor outcome predictors is crucial for the prevention of therapeutic failure. Previous research suggests that clients' persistent ambivalence is one possible path to unsuccessful psychotherapy. The present study analyses ambivalence—here operationalized as return‐to‐the‐problem markers (RPMs)—in five recovered and five unchanged cases of narrative psychotherapy for major depression. The results suggest that both recovered and unchanged cases presented a similar proportion of RPMs at baseline and a decreasing pattern of these ambivalence markers throughout therapy. However, the decreasing was more accentuated in recovered than in unchanged cases, and at the end of the treatment, the proportion of RPMs of the unchanged cases was significantly higher. The results are discussed in light of previous research on ambivalence in psychotherapy, focusing on the meaning of ambivalence and its clinical implications. Copyright © 2015 John Wiley & Sons, Ltd.

Key Practitioner Message

Ambivalence towards change, here operationalized as RPMs, seems to be a common process in both recovered and unchanged cases, perhaps signalling the uncertainty and anxiety that change may elicit.

Although the number of RPMs decreased in both the recovered and unchanged cases, this reduction was significantly higher in the recovered group. Moreover, at the end of therapy, the recovered group revealed a significantly lower proportion of RPMs than the unchanged group, suggesting that ambivalence resolution (or lack thereof) may play a determining role in the therapy's evolution and outcome.

RPMs in later stages of therapy may be operationalized as ‘red flags’ for the therapist to acknowledge the client's stuckness and adapt his or her intervention efforts, turning these instances into developmental opportunities.
The Effects of Climate Change Policy on the Business Community: A Corporate Environmental Accounting Perspective
Authors: Evangelinos Konstantinos , Nikolaou Ioannis , Leal Filho Walter
Published: March 2015

This paper proposes a normative framework to explain the influence of climate change policy on corporate environmental strategies, and at the same time describes how these strategies could be translated into an integrated environmental accounting model based on formal accounting statements. In particular, it aims to demonstrate a new approach of climate change accounting in order to overcome some important weaknesses of previous environmental accounting methods, such as accuracy and reliability. Currently, the majority of existing accounting methods record information on climate change on a voluntary basis. Even though they may assist businesses in designing essential environmental strategies and help public policy entities improve their knowledge on the results of such strategies, the informal nature of the accounting standards and the variable type of financial and non‐financial information make the use of such models untrustworthy and complicated. Finally, an empirical example of this framework is also presented. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment.
prdm1a functions upstream of itga5 in zebrafish craniofacial development
Authors: LaMonica Kristi , Ding Hai‐lei , Artinger Kristin Bruk
Published: March 2015

Cranial neural crest cells are specified and migrate into the pharyngeal arches where they subsequently interact with the surrounding environment. Signaling and transcription factors, such as prdm1a regulate this interaction, but it remains unclear which specific factors are required for posterior pharyngeal arch development. Previous analysis suggests that prdm1a is required for posterior ceratobranchial cartilages in zebrafish and microarray analysis between wildtype and prdm1a mutants at 25 h post fertilization demonstrated that integrin α5 (itga5) is differentially expressed in prdm1a mutants. Here, we further investigate the interaction between prdm1a and itga5 in zebrafish craniofacial development. In situ hybridization for itga5 demonstrates that expression of itga5 is decreased in prdm1a mutants between 18 and 31 h post fertilization and itga5 expression overlaps with prdm1a in the posterior arches, suggesting a temporal window for interaction. Double mutants for prdm1a;itga5 have an additive viscerocranium phenotype more similar to prdm1a mutants, suggesting that prdm1a acts upstream of itga5. Consistent with this, loss of posterior pharyngeal arch expression of dlx2a, ceratobranchial cartilages 2–5, and cell proliferation in prdm1a mutants can be rescued with itga5 mRNA injection. Taken together, these data suggest that prdm1a acts upstream of itga5 and are both necessary for posterior pharyngeal arch development in zebrafish. genesis 53:270–277, 2015. © 2015 Wiley Periodicals, Inc.
Limited connectivity and a phylogeographic break characterize populations of the pink anemonefish, Amphiprion perideraion, in the Indo‐Malay Archipelago: inferences from a mitochondrial and microsatellite loci
Authors: Dohna Tina A. , Timm Janne , Hamid Lemia , Kochzius Marc
Published: March 2015

To enhance the understanding of larval dispersal in marine organisms, species with a sedentary adult stage and a pelagic larval phase of known duration constitute ideal candidates, because inferences can be made about the role of larval dispersal in population connectivity. Members of the immensely diverse marine fauna of the Indo‐Malay Archipelago are of particular importance in this respect, as biodiversity conservation is becoming a large concern in this region. In this study, the genetic population structure of the pink anemonefish, Amphiprion perideraion, is analyzed by applying 10 microsatellite loci as well as sequences of the mitochondrial control region to also allow for a direct comparison of marker‐derived results. Both marker systems detected a strong overall genetic structure (ΦST = 0.096, P < 0.0001; mean Dest = 0.17; FST = 0.015, P < 0.0001) and best supported regional groupings (ΦCT = 0.199 P < 0.0001; FCT = 0.018, P < 0.001) that suggested a differentiation of the Java Sea population from the rest of the archipelago. Differentiation of a New Guinea group was confirmed by both markers, but disagreed over the affinity of populations from west New Guinea. Mitochondrial data suggest higher connectivity among populations with fewer signals of regional substructure than microsatellite data. Considering the homogenizing effect of only a few migrants per generation on genetic differentiation between populations, marker‐specific results have important implications for conservation efforts concerning this and similar species.
Exogenous selection rather than cytonuclear incompatibilities shapes asymmetrical fitness of reciprocalArabidopsishybrids
Authors: Muir Graham , Ruiz‐Duarte Paola , Hohmann Nora , Mable Barbara K. , Novikova Polina , Schmickl Roswitha , Guggisberg Alessia , Koch Marcus A.
Published: March 2015

Reciprocal crosses between species often display an asymmetry in the fitness of F1hybrids. This pattern, referred to as isolation asymmetry or Darwin's corollary to Haldane's rule, is a general feature of reproductive isolation in plants, yet factors determining its magnitude and direction remain unclear. We evaluated reciprocal species crosses between two naturally hybridizing diploid species ofArabidopsisto assess the degree of isolation asymmetry at different postmating life stages. We found that pollen fromArabidopsis arenosawill usually fertilize ovules fromArabidopsis lyrata; the reverse receptivity being less complete. MaternalA. lyrataparents set more F1hybrid seed, but germinate at lower frequency, reversing the asymmetry. As predicted by theory,A. lyrata(the maternal parent with lower seed viability in crosses) exhibited accelerated chloroplast evolution, indicating that cytonuclear incompatibilities may play a role in reproductive isolation. However, this direction of asymmetrical reproductive isolation is not replicated in natural suture zones, where delayed hybrid breakdown of fertility at later developmental stages, or later‐acting selection againstA. arenosamaternal hybrids (unrelated to hybrid fertility, e.g., substrate adaptation) may be responsible for an excess ofA. lyratamaternal hybrids. Exogenous selection rather than cytonuclear incompatibilities thus shapes the asymmetrical postmating isolation in nature.
Construing multiple ingroups: Assessing social identity inclusiveness and structure in ethnic and religious minority group members
Authors: van Dommelen Andrea , Schmid Katharina , Hewstone Miles , Gonsalkorale Karen , Brewer Marilynn
Published: March 2015

The combination of multiple social identities into a coherent ingroup construal is of immediate relevance in today's complex and diverse societies. This paper proposes a conceptual and operational framework to examine how individuals subjectively construe their ingroup in the context of multiple, cross‐cutting group memberships. The subjective combination of multiple social identities is described in terms of structure (social identity structure) and inclusiveness (social identity inclusiveness (SII)). Two studies assess SII and social identity structure in community samples to whom the subjective combination of multiple, cross‐cutting ingroups is of particular relevance: a sample of Turkish‐Belgian Muslims (Study 1) and Turkish‐Australian Muslims (Study 2). Across both studies, SII uniquely predicted attitudes toward a range of outgroups, over and above identification with singular ingroups. Moreover, a wide range of social identity structures were identified, further attesting to broad individual differences in the construal of the perceived ingroup. Copyright © 2015 John Wiley & Sons, Ltd.
Electrochemical High Concentration Oxygen Sensing Using a Phosphonium Cation Based Room Temperature Ionic Liquid: Analytical Studies
Authors: Li Peilin , Compton Richard G.
Published: March 2015

Detecting oxygen at the high concentration limit needs innovation. Room temperature ionic liquid trihexyl(tetradecyl)phosphonium trifluorotris(pentafluoroethyl)phosphate [P6,6,6,14][FAP] was tested as a solvent for oxygen detection through the electrochemical reduction of oxygen. Cyclic voltammetry of oxygen in nitrogen or carbon dioxide mixtures at different partial pressures was studied. The steady state current was shown to be linearly dependent on the oxygen partial pressure in high oxygen content (>77 %) systems. Simultaneous detecting of oxygen and carbon dioxide is also realised in an oxygen/carbon dioxide mixture, providing proof‐of‐concept of high concentration oxygen and carbon dioxide dual sensing.
Doxorubicin interactions with bovine serum albumin revealed by microdialysis with on‐line laser‐induced fluorescence detection at subpicogram level
Authors: Blazkova Iva , Smerkova Kristyna , Blazkova Lucie , Vaculovicova Marketa , Stiborova Marie , Eckschlager Tomas , Beklova Miroslava , Adam Vojtech , Kizek Rene
Published: March 2015

Doxorubicin (DOX) is an effective antitumor drug employed for treatment of a wide range of cancers types such as neuroblastoma, osteosarcoma, breast and esophageal carcinomas. On the other hand, the cumulative dose is restricted (300–550 mg/m2) and its amount administered to a patient has to be closely controlled due to its cardiotoxicity. To understand the mechanisms of the DOX side effects as well as to reveal the ways how to reduce its adverse impact on cardiomyocytes, the interactions with particular components of the blood and tissues have to be studied in greater detail. In this work, microdialysis technique was optimized to extract DOX from samples and subsequently monitor its interaction with BSA. Finally, the microdialysis probe was connected on‐line to the LIF detector to ensure the real‐time detection. The best flow rate was 1 μL/min and after 120 min of microdialysis 28% of the DOX was dialyzed out from the sample. The results from investigation of the DOX–BSA interaction indicate that the interaction occurs in less than 30 min, causing marked decrease in the amount of DOX extracted by microdialysis.
Glia Open Access Database (GOAD): A comprehensive gene expression encyclopedia of glia cells in health and disease
Authors: Holtman Inge R. , Noback Michiel , Bijlsma Marieke , Duong Kim N. , van der Geest Marije A. , Ketelaars Peer T. , Brouwer Nieske , Vainchtein Ilia D. , Eggen Bart J. L. , Boddeke Hendrikus W. G. M.
Published: March 2015

Recently, the number of genome‐wide transcriptome profiles of pure populations of glia cells has drastically increased, resulting in an unprecedented amount of data that offer opportunities to study glia phenotypes and functions in health and disease. To make genome‐wide transcriptome data easily accessible, we developed the Glia Open Access Database (GOAD), available via www.goad.education. GOAD contains a collection of previously published and unpublished transcriptome data, including datasets from isolated microglia, astrocytes and oligodendrocytes both at homeostatic and pathological conditions. It contains an intuitive web‐based interface that consists of three features that enable searching, browsing, analyzing, and downloading of the data. The first feature is differential gene expression (DE) analysis that provides genes that are significantly up and down‐regulated with the associated fold changes and p‐values between two conditions of interest. In addition, an interactive Venn diagram is generated to illustrate the overlap and differences between several DE gene lists. The second feature is quantitative gene expression (QE) analysis, to investigate which genes are expressed in a particular glial cell type and to what degree. The third feature is a search utility, which can be used to find a gene of interest and depict its expression in all available expression data sets by generating a gene card. In addition, quality guidelines and relevant concepts for transcriptome analysis are discussed. Finally, GOAD is discussed in relation to several online transcriptome tools developed in neuroscience and immunology. In conclusion, GOAD is a unique platform to facilitate integration of bioinformatics in glia biology. GLIA 2015;63:1495–1506
Oil refinery experience with the assessment of refinery effluents and receiving waters using biologically based methods
Authors: Comber Michael H I , Girling Andrew , den Haan Klaas H , Whale Graham
Published: March 2015

The trend in discharges of petroleum-related substances from refineries in Europe shows a consistent picture of declining emissions, since first measured in 1969. This decline coincides with enhanced internal capture or recycling procedures and increasing use of physical and biological treatments. At the same time, and partly in response to legislative drivers, there has been an increase in the use of chronic (long-term) toxicity tests and alternative methods for assessing the quality of effluent discharges. The Whole Effluent Assessment (WEA) approach has also driven the increased conduct of studies addressing the fate of effluent constituents. Such studies have included the use of biodegradation and solid-phase micro-extraction-biomimetic extraction (SPME-BE) methods to address potentially bioaccumulative substances (PBS). In this way, it is then possible to address the persistence and toxicity of these PBS constituents of an effluent. The data collected in various case studies highlights the advantages and pitfalls of using biologically-based methods to assess the potential for refinery effluents to cause environmental impacts. Integr Environ Assess Manag 2015;X:000–000. ©2015 SETAC

Key Points

The use of biologically based effects methods to assess the quality of effluents and receiving waters is increasing in the EU primarily due to the focus of the Water Framework Directive on improving biological quality of receiving waters. Selection of test species, test design, and confounding issues in whole effluent toxicity tests can complicate data interpretation and need to be chosen carefully. Where effluent toxicity is observed in the EU, application of methods described in this paper indicates toxicity is not persistent or refractory. SPME coupled with effluent biodegradation studies provides a promising screening tool to assess the potential for bioaccumulation, additive toxicity, and even persistence of hydrocarbons in refinery effluents.
Comparison of anthropometric measures as predictors of cancer incidence: A pooled collaborative analysis of 11 Australian cohorts
Authors: Harding Jessica L. , Shaw Jonathan E. , Anstey Kaarin J. , Adams Robert , Balkau Beverley , Brennan‐Olsen Sharon L. , Briffa Tom , Davis Timothy M.E. , Davis Wendy A. , Dobson Annette , Flicker Leon , Giles Graham , Grant Janet , Huxley Rachel , Knuiman Matthew , Luszcz Mary , MacInnis Robert J. , Mitchell Paul , Pasco Julie A. , Reid Christopher , Simmons David , Simons Leon , Tonkin Andrew , Woodward Mark , Peeters Anna , Magliano Dianna J.
Published: March 2015

Obesity is a risk factor for cancer. However, it is not known if general adiposity, as measured by body mass index (BMI) or central adiposity [e.g., waist circumference (WC)] have stronger associations with cancer, or which anthropometric measure best predicts cancer risk. We included 79,458 men and women from the Australian and New Zealand Diabetes and Cancer Collaboration with complete data on anthropometry [BMI, WC, Hip Circumference (HC), WHR, waist to height ratio (WtHR), A Body Shape Index (ABSI)], linked to the Australian Cancer Database. Cox proportional hazards models assessed the association between each anthropometric marker, per standard deviation and the risk of overall, colorectal, post‐menopausal (PM) breast, prostate and obesity‐related cancers. We assessed the discriminative ability of models using Harrell's c‐statistic. All anthropometric markers were associated with overall, colorectal and obesity‐related cancers. BMI, WC and HC were associated with PM breast cancer and no significant associations were seen for prostate cancer. Strongest associations were observed for WC across all outcomes, excluding PM breast cancer for which HC was strongest. WC had greater discrimination compared to BMI for overall and colorectal cancer in men and women with c‐statistics ranging from 0.70 to 0.71. We show all anthropometric measures are associated with the overall, colorectal, PM breast and obesity‐related cancer in men and women, but not prostate cancer. WC discriminated marginally better than BMI. However, all anthropometric measures were similarly moderately predictive of cancer risk. We do not recommend one anthropometric marker over another for assessing an individuals' risk of cancer.
Expression of nuclear matrix proteins binding matrix attachment regions in prostate cancer. PARP‐1: New player in tumor progression
Authors: Barboro Paola , Ferrari Nicoletta , Capaia Matteo , Petretto Andrea , Salvi Sandra , Boccardo Simona , Balbi Cecilia
Published: March 2015

Prostate cancer (PCa) displays infrequent point mutations, whereas genomic rearrangements are highly prevalent. In eukaryotes, the genome is compartmentalized into chromatin loop domains by the attachment to the nuclear matrix (NM), and it has been demonstrated that several recombination hot spots are situated at the base of loops. Here, we have characterized the binding between NM proteins and matrix attachment regions (MARs) in PCa. Nontumor and 44 PCa tissues were analyzed. More aggressive tumors were characterized by an increase in the complexity of the NM protein patterns that was synchronous with a decrease in the number of proteins binding the MAR sequences. PARP‐1 was the protein that showed the most evident changes. The expression of the PARP‐1 associated with NM increased and it was dependent on tumor aggressiveness. Immunohistochemical analysis showed that the protein was significantly overexpressed in tumor cells. To explore the role of PARP‐1 in PCa progression, PCa cells were treated with the PARP inhibitor, ABT‐888. In androgen‐independent PC3 cells, PARP inhibition significantly decreased cell viability, migration, invasion, chromatin loop dimensions and histone acetylation. Collectively, our study provides evidence that MAR‐binding proteins are involved in the development and progression of PCa. PARP could play a key role in the compartmentalization of chromatin and in the development of the more aggressive phenotype. Thus, PARP can no longer be viewed only as an enzyme involved in DNA repair, but that its role in chromatin modulation could provide the basis for a new therapeutic approach to the treatment of PCa.
Computational Approaches to Understanding the Self‐assembly of Peptide‐based Nanostructures
Authors: Tuttle Tell
Published: March 2015

The interest in the self‐assembly of peptide‐based systems has grown significantly over the past 10–15 years, as more and more applications are shown to benefit from the useful properties of the amino acid based monomers. With the desire to apply the principals of self‐assembly to systems within new application areas, there has been an increasing emphasis in understanding the governing forces involved in the self‐assembly process, and using this understanding to predict the behaviour of, and design, new materials. To this end, computational approaches have played an increasingly important role over the past decade in helping to decode how small changes in the primary structure can lead to significantly different nanostructures with new function. In this review, a brief survey of the different computational approaches employed in this quest for understanding are provided, along with representative examples of the types of questions that can be answered with each of the different approaches.
A novel in chemico method to detect skin sensitizers in highly diluted reaction conditions
Authors: Yamamoto Yusuke , Tahara Haruna , Usami Ryota , Kasahara Toshihiko , Jimbo Yoshihiro , Hioki Takanori , Fujita Masaharu
Published: March 2015

The direct peptide reactivity assay (DPRA) is a simple and versatile alternative method for the evaluation of skin sensitization that involves the reaction of test chemicals with two peptides. However, this method requires concentrated solutions of test chemicals, and hydrophobic substances may not dissolve at the concentrations required. Furthermore, hydrophobic test chemicals may precipitate when added to the reaction solution. We previously established a high‐sensitivity method, the amino acid derivative reactivity assay (ADRA). This method uses novel cysteine (NAC) and novel lysine derivatives (NAL), which were synthesized by introducing a naphthalene ring to the amine group of cysteine and lysine residues. In this study, we modified the ADRA method by reducing the concentration of the test chemicals 100‐fold. We investigated the accuracy of skin sensitization predictions made using the modified method, which was designated the ADRA‐dilutional method (ADRA‐DM). The predictive accuracy of the ADRA‐DM for skin sensitization was 90% for 82 test chemicals which were also evaluated via the ADRA, and the predictive accuracy in the ADRA‐DM was higher than that in the ADRA and DPRA. Furthermore, no precipitation of test compounds was observed at the initiation of the ADRA‐DM reaction. These results show that the ADRA‐DM allowed the use of test chemicals at concentrations two orders of magnitude lower than that possible with the ADRA. In addition, ADRA‐DM does not have the restrictions on test compound solubility that were a major problem with the DPRA. Therefore, the ADRA‐DM is a versatile and useful method. Copyright © 2015 John Wiley & Sons, Ltd.
Investigation into the safety of perineural application of 1,4‐butanediol diglycidyl ether‐crosslinked hyaluronan in a rat model
Authors: Lan Sheng‐Min , Jou I‐Ming , Wu Po‐Ting , Wu Cheng‐Yi , Chen Sung‐Ching
Published: March 2015

Hyaluronan (HA) is well known for its biocompatibility and has widespread clinical use. To change its mechanical and physiologic properties to adapt to specific clinical scenarios, HA is crosslinked with chemically reactive linker molecules, most of which are toxic chemical reagents. Adverse events related to clinical use of crosslinked HA have been documented. Although approved by the FDA as dermal filler, the safety of perineural application of 1,4‐butanediol diglycidyl ether (BDDE)‐crosslinked HA has not been assessed critically. Concern exists owing to the vulnerability of neural tissues, because of their elongated morphology, high ratio of membrane surface area to cell volume, and complicated electrophysiologic properties. In this study, we systematically investigated the toxicity profile of BDDE‐crosslinked HA, usingin vitroandin vivoexperiments in a rat model. Thein vivoexperiments included the evaluation of aspects of histopathology, electrophysiology, and neurobehavior. There were no significant changes in the treatment group compared with the control group in all aspects of the experiments, except for the increased epineurial vascular formation in the 0.5% crosslinked HA‐treated group during 2 weeks of observation. Further studies involving perineural application of BDDE‐crosslinked HA can be done based on our findings, which ruled out the safety concern of cytotoxicity and adverse changes in electrophysiology and neurobehavior. © 2014 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 103B: 718–726, 2015.
Regulation of MDM2 Stability After DNA Damage
Authors: Li Jiaqi , Kurokawa Manabu
Published: March 2015

Cells in our body are constantly exposed to various stresses and threats to their genomic integrity. The tumor suppressor protein p53 plays a critical role in successful defense against these threats by inducing apoptotic cell death or cell cycle arrest. In unstressed conditions, p53 levels and activity must be kept low to prevent lethal activation of apoptotic and senescence pathways. However, upon DNA damage or other stressors, p53 is released from its inhibitory state to induce an array of apoptosis and cell cycle genes. Conversely, inactivation of p53 could promote unrestrained tumor proliferation and failure to appropriately undergo apoptotic cell death, which could, in turn, lead to carcinogenesis. The ubiquitin E3 ligase MDM2 is the most critical inhibitor of p53 that determines the cellular response to various p53‐activating agents, including DNA damage. MDM2 activity is controlled by post‐translational modifications, especially phosphorylation. However, accumulating evidence suggests that MDM2 is also regulated at the level of protein stability, which is controlled by the ubiquitin‐proteasome pathway. Here, we discuss how MDM2 can be regulated in response to DNA damage with particular focus on the regulation of MDM2 protein stability. J. Cell. Physiol. 230: 2318–2327, 2015. © 2015 Wiley Periodicals, Inc.
Synthèse de tertiobutylcétones α‐azotées de type
Authors: Montignoul Claude , Richard Marie‐Josée , Vigne Christian , Giral Louis
Published: March 2015

La synthèse des cétones 2, 3 et 4 a été réalisée en alkylant le dérivé azoté correspondant par des cétones α‐bromées. Celles‐ci furent synthétisées par bromation de cétones intermédiaires, elles‐měmes préparées par alkylation de la pinacolone ou de la benzyltertiobutylcétone par certains dérivés halogénés. On a observé que la bromation des cétones dépendait de la nature de ces dérivés.
A comparison between ab initio calculated and measured Raman spectrum of triclinic albite (NaAlSi3O8)
Authors: Aliatis Irene , Lambruschi Erica , Mantovani Luciana , Bersani Danilo , Andò Sergio , Diego Gatta G. , Gentile Paolo , Salvioli‐Mariani Emma , Prencipe Mauro , Tribaudino Mario , Lottici Pier Paolo
Published: March 2015

Albite is one of the most common minerals in the Earth's crust, and its polymorphs can be found in rocks with different cooling histories. The characteristic spectrum of vibration of the albite mineral reflects its structural Si/Al ordering. In this study, we report on the comparison between the Raman spectra measured on a natural and fully ordered (as deduced on the basis of single‐crystal X‐ray diffraction data) ‘low albite’, NaAlSi3O8, and those calculated at the hybrid Hartree–Fock/density functional theory level by employing the WC1LYP Hamiltonian, which has proven to give excellent agreement between calculated and experimentally measured vibrational wavenumbers in silicate minerals. All the 39 expected Ag modes are identified in the Raman spectra, and their wavenumbers and intensities, in different scattering configurations, correspond well to the calculated ones. The average absolute discrepancy is ~3.4 cm−1, being the maximum discrepancy |Δv|max ~ 10.3 cm−1. The very good quality of the WC1LYP results allows for reliable assignments of the Raman features to specific patterns of atomic vibrational motion. Copyright © 2015 John Wiley & Sons, Ltd.
Effects of different maturity stages and growing locations on changes in chemical, biochemical and aroma volatile composition of ‘Wonderful’ pomegranate juice
Authors: Mphahlele Rebogile R , Caleb Oluwafemi J , Fawole Olaniyi A , Opara Umezuruike Linus
Published: March 2015

BACKGROUND

This study investigated the changes in chemical attributes of pomegranate fruit such as total soluble solids (TSS), titratable acidity (TA), TSS/TA ratio, pH, individual compounds (organic acids and sugars) and volatile composition as affected by fruit maturity status and growing location (Kakamas, Koedoeshoek and Worcester in South Africa). Headspace solid phase microextraction coupled with gas chromatography/mass spectrometry was used for volatile analysis.

RESULTS

A significant increase in TSS from 14.7 ± 0.6 to 17.5 ± 0.6 °Brix was observed with advancement in fruit maturity, while TA decreased from 2.1 ± 0.7 to 1.1 ± 0.3 g citric acid per 100 mL across all agro‐climatic locations investigated. Fruit TSS/TA ratio and pH increased from 7.8 ± 2.6 to 16.6 ± 2.8 and from 3.3 ± 0.1 to 3.6 ± 0.2 respectively during fruit maturation across all agro‐climatic locations. Fructose and glucose concentrations increased continually with fruit maturity from 69.4 ± 4.9 to 91.1 ± 4.9 g kg−1 and from 57.1 ± 4.7 to 84.3 ± 5.2 g kg−1 respectively. A total of 13 volatile compounds were detected and identified, belonging to five chemical classes. The most abundant volatile in unripe and mid‐ripe fruit was 1‐hexanol, while 3‐hexen‐1‐ol was highest at commercial maturity.

CONCLUSION

Knowledge on the impact of fruit maturity and agro‐climatic locations (with different altitudes) on biochemical and aroma volatile attributes of pomegranate fruit provides a useful guide for selecting farm location towards improving fruit quality and the maturity stage best for juice processing. © 2015 Society of Chemical Industry
Managing habitat to slow or reverse population declines of the Columbia spotted frog in the Northern Great Basin
Authors: Pilliod David S. , Scherer Rick D.
Published: March 2015

Evaluating the effectiveness of habitat management actions is critical to adaptive management strategies for conservation of imperiled species. We quantified the response of a Great Basin population of the Columbia spotted frog (Rana luteiventris) to multiple habitat improvement actions aimed to reduce threats and reverse population declines. We used mark‐recapture data for 1,394 adult frogs that had been marked by state, federal, and university biologists in 9 ponds representing a single population over a 16‐year period from 1997 to 2012. With the use of demographic models, we assessed population‐level effects of 1) a grazing exclosure constructed around 6 stock ponds that had been used to water livestock for decades before being fully fenced in 2003, and 2) the construction of 3 new stock ponds in 2003 to provide alternative water sources for livestock and, secondarily, to provide additional frog habitat. These management actions were implemented in response to a decline of more than 80% in population size from 1997 to 2002. We found evidence that excluding cattle from ponds and surrounding riparian habitats resulted in higher levels of frog production (more egg masses), higher adult frog recruitment and survival, and higher population growth rate. We also found that frogs colonized the newly constructed stock ponds within 3 years and frogs began breeding in 2 of them after 5 years. The positive effects of the cattle exclosure and additional production from the new ponds, although notable, did not result in full recovery of the population even 9 years later. This slow recovery may be partly explained by the effects of weather on recruitment rates, particularly the negative effects of harsher winters with late springs and higher fall temperatures. Although our findings point to potential successes of habitat management aimed at slowing or reversing rapidly declining frog populations, our study also suggests that recovering from severe population declines can take many years because of demographic and environmental processes. Published 2015. This article is a U.S. Government work and is in the public domain in the USA.
Relative controllability of nonlinear neutral fractional integro‐differential systems with distributed delays in control
Authors: Balachandran Krishnan , Divya Shanmugam , Rodríguez‐Germá Luis , Trujillo Juan J.
Published: March 2015

In this paper, we establish sufficient conditions for the global relative controllability of nonlinear neutral fractional Volterra integro‐differential systems with distributed delays in control. The results are obtained by using the Mittag–Leffler functions and the Schauder fixed‐point theorem. Examples are presented to illustrate the results. Copyright © 2015 John Wiley & Sons, Ltd.
Nonsymmetric and symmetric fractional calculi on arbitrary nonempty closed sets
Authors: Benkhettou Nadia , Brito da Cruz Artur M. C. , Torres Delfim F. M.
Published: March 2015

We introduce a nabla, a delta, and a symmetric fractional calculus on arbitrary nonempty closed subsets of the real numbers. These fractional calculi provide a study of differentiation and integration of non‐integer order on discrete, continuous, and hybrid settings. Main properties of the new fractional operators are investigated and some fundamental results presented, illustrating the interplay between discrete and continuous behaviors. Copyright © 2015 John Wiley & Sons, Ltd.
Small‐size antenna for seven‐band WWAN/LTE mobile handset
Authors: Huang Hui‐Fen , Wu Jun‐Feng
Published: March 2015

In this article, a small‐size seven‐band antenna covering GSM850/900/1800/1900/UMTS2100/LTE2300/2500 bands for wireless wide area network/long term evolution mobile handset is presented. The developed antenna only occupies a planar size of 15 × 25 mm2. The capacitive coupling feed is used to generate fundamental resonant λ/8 mode and high‐order λ/4 mode to reduce the size. Electromagnetic (EM) coupling between the radiation strips is used to widen the operation band. The antenna consists of a feed strip and two radiation strips (RS1, RS2). RS2 is in the same side of the ground. RS1 is in the other side of substrate. Two λ/8 modes (at 850 and 925 MHz) and two λ/4 modes (at 1850 and 2200 MHz) are generated by the capacitive feed. Strip RS1 contributes to 850 and 1850 MHz modes, and strip RS2 contributes to 925 and 2200 MHz modes. In the mean time, there exists EM coupling between the two radiation strips (RS1, RS2), then dual‐resonance mode at 845 and 925 MHz form a wide lower band covering GSM850/900, two high order resonant modes at 1850 and 2200 MHz form a wide upper band covering GSM1800/1900/UMTS2100/LTE2300/2500. Design mechanics is analyzed and main parameters are studied. The proposed antenna is fabricated, and the simulated and measured results agree well. © 2015 Wiley Periodicals, Inc. Microwave Opt Technol Lett 57:1029–1033, 2015