bluuebunny/crossref_metadata_2025 huggingface dataset:
Better together
The Strength in Numbers
: The New Science of Team Science
Barry Bozeman and Jan Youtie
Princeton University Press, 2017. 239 pp.
Authors: Fiore Stephen M.
Published: February 2018

A pair of policy experts highlights tension in team science and, inadvertently, in the study of scientific teams
A topological quantum optics interface
Authors: Barik Sabyasachi , Karasahin Aziz , Flower Christopher , Cai Tao , Miyake Hirokazu , DeGottardi Wade , Hafezi Mohammad , Waks Edo
Published: February 2018

Connecting quantum emitters

Exploiting topological properties of a system allows certain properties to be protected against the disorder and scattering caused by defects. Barik
et al.
demonstrate a strong light-matter interaction in a topological photonic structure (see the Perspective by Amo). They created topological edge states at the interface between two photonic, topologically distinct regions and coupled them to a single quantum emitter. The chiral nature of single-photon emission was used to inject single photons of opposite polarization into counterpropagating topological edge states. Such a topological quantum optics interface may provide a powerful platform for developing robust integrated quantum optical circuits.

Science
, this issue p.
666
; see also p.
638
Near-infrared deep brain stimulation via upconversion nanoparticle–mediated optogenetics
Authors: Chen Shuo , Weitemier Adam Z. , Zeng Xiao , He Linmeng , Wang Xiyu , Tao Yanqiu , Huang Arthur J. Y. , Hashimotodani Yuki , Kano Masanobu , Iwasaki Hirohide , Parajuli Laxmi Kumar , Okabe Shigeo , Teh Daniel B. Loong , All Angelo H. , Tsutsui-Kimura Iku , Tanaka Kenji F. , Liu Xiaogang , McHugh Thomas J.
Published: February 2018

Stimulating deep inside the brain

Noninvasive deep brain stimulation is an important goal in neuroscience and neuroengineering. Optogenetics normally requires the use of a blue laser inserted into the brain. Chen
et al.
used specialized nanoparticles that can upconvert near-infrared light from outside the brain into the local emission of blue light (see the Perspective by Feliu
et al.
). They injected these nanoparticles into the ventral tegmental area of the mouse brain and activated channelrhodopsin expressed in dopaminergic neurons with near-infrared light generated outside the skull at a distance of several millimeters. This technique allowed distant near-infrared light to evoke fast increases in dopamine release. The method was also used successfully to evoke fear memories in the dentate gyrus during fear conditioning.

Science
, this issue p.
679
; see also p.
633
Evasion of Human Neutrophil-Mediated Host Defense duringToxoplasma gondiiInfection
Authors: Lima Tatiane S. , Gov Lanny , Lodoen Melissa B.
Published: February 2018

Neutrophils are a major player in host immunity to infection; however, the mechanisms by which human neutrophils respond to the intracellular protozoan parasiteToxoplasma gondiiare still poorly understood. In the current study, we found that, whereas primary human monocytes produced interleukin-1beta (IL-1β) in response toT. gondiiinfection, human neutrophils from the same blood donors did not. Moreover,T. gondiiinhibited lipopolysaccharide (LPS)-induced IL-1β synthesis in human peripheral blood neutrophils. IL-1β suppression required active parasite invasion, since heat-killed or mycalolide B-treated parasites did not inhibit IL-1β release. By investigating the mechanisms involved in this process, we found thatT. gondiiinfection of neutrophils treated with LPS resulted in reduced transcript levels ofIL-1βandNLRP3and reduced protein levels of pro-IL-1β, mature IL-1β, and the inflammasome sensor NLRP3. InT. gondii-infected neutrophils stimulated with LPS, the levels of MyD88, TRAF6, IKKα, IKKβ, and phosphorylated IKKα/β were not affected. However, LPS-induced IκBα degradation and p65 phosphorylation were reduced inT. gondii-infected neutrophils, and degradation of IκBα was reversed by treatment with the proteasome inhibitor MG-132. Finally, we observed thatT. gondiiinhibited the cleavage and activity of caspase-1 in human neutrophils. These results indicate thatT. gondiisuppression of IL-1β involves a two-pronged strategy wherebyT. gondiiinhibits both NF-κB signaling and activation of the NLRP3 inflammasome. These findings represent a novel mechanism ofT. gondiievasion of human neutrophil-mediated host defense by targeting the production of IL-1β.

IMPORTANCEToxoplasma gondiiis an obligate intracellular parasite that infects approximately one-third of humans worldwide and can invade virtually any nucleated cell in the human body. Although it is well documented that neutrophils infiltrate the site of acuteT. gondiiinfection, there is limited understanding of how human neutrophils respond toT. gondii. Neutrophils control infectious pathogens by a variety of mechanisms, including the release of the cytokine IL-1β, a major driver of inflammation during infection. This study reveals thatT. gondiiis able to inhibit IL-1β production in human neutrophils by impairing the activation of the NF-κB signaling pathway and by inhibiting the inflammasome, the protein complex responsible for IL-1β maturation. This two-pronged strategy of targeting the IL-1β pathway may facilitate the survival and spread ofT. gondiiduring acute infection.
Glycan-Glycan Interaction Determines
Shigella
Tropism toward Human T Lymphocytes
Authors: Belotserkovsky Ilia , Brunner Katja , Pinaud Laurie , Rouvinski Alexander , Dellarole Mariano , Baron Bruno , Dubey Gyanendra , Samassa Fatoumata , Parsot Claude , Sansonetti Philippe , Phalipon Armelle
Published: February 2018

Direct interactions between bacterial and host glycans have been recently reported to be involved in the binding of pathogenic bacteria to host cells. In the case of
Shigella
, the Gram-negative enteroinvasive bacterium responsible for acute rectocolitis, such interactions contribute to bacterial adherence to epithelial cells. However, the role of glycans in the tropism of
Shigella
for immune cells whose glycosylation pattern varies depending on their activation state is unknown. We previously reported that
Shigella
targets activated, but not nonactivated, human CD4
+
T lymphocytes. Here, we show that nonactivated CD4
+
T lymphocytes can be turned into
Shigella
-targetable cells upon loading of their plasma membrane with sialylated glycosphingolipids (also termed gangliosides). The
Shigella
targeting profile of ganglioside-loaded nonactivated T cells is similar to that of activated T cells, with a predominance of injection of effectors from the type III secretion system (T3SS) not resulting in cell invasion. We demonstrate that gangliosides interact with the O-antigen polysaccharide moiety of lipopolysaccharide (LPS), the major bacterial surface antigen, thus promoting
Shigella
binding to CD4
+
T cells. This binding step is critical for the subsequent injection of T3SS effectors, a step which we univocally demonstrate to be dependent on actin polymerization. Altogether, these findings highlight the critical role of glycan-glycan interactions in
Shigella
pathogenesis.

IMPORTANCE
Glycosylation of host cell surface varies with species and location in the body, thus contributing to species specificity and tropism of microorganisms. Cross talk by
Shigella
, the Gram-negative enteroinvasive bacterium responsible for bacillary dysentery, with its exclusively human host has been extensively studied. However, the molecular determinants of the step of binding to host cells are poorly defined. Taking advantage of the observation that human-activated CD4
+
T lymphocytes, but not nonactivated cells, are targets of
Shigella
, we succeeded in rendering the refractory cells susceptible to targeting upon loading of their plasma membrane with sialylated glycosphingolipids (gangliosides) that are abundantly present on activated cells. We show that interactions between the sugar polar part of gangliosides and the polysaccharide moiety of
Shigella
lipopolysaccharide (LPS) promote bacterial binding, which results in the injection of effectors via the type III secretion system. Whereas LPS interaction with gangliosides was proposed long ago and recently extended to a large variety of glycans, our findings reveal that such glycan-glycan interactions are critical for
Shigella
pathogenesis by driving selective interactions with host cells, including immune cells.
Who is eligible for flexible training? I have a LAT. Can I train flexibly?
Authors: Houghton Anita
Published: February 2018

Got a career or related problem that needs answering? Can't find the right person to point you in the right direction? Log on to the Advice Zone (www.bmjcareers.com/advicezone) for reliable medical careers advice. You can post a question or see if one of our 300 advisers has already answered a similar question. Here is a selection of questions and answers posted on the site.
What kind of experience do I need for a specialist registrar rotation in microbiology?
Authors: Wilson Andrew
Published: February 2018

Got a career or related problem that needs answering? Can't find the right person to point you in the right direction? Log on to the Advice Zone (www.bmjcareers.com/advicezone) for reliable medical careers advice. You can post a question or see if one of our 300 advisers has already answered a similar question. Here is a selection of questions and answers posted on the site.
The Postgraduate Medical Education and Training Board (PMETB): the view from the top
Authors: MacDonald Rhona
Published: February 2018

Rhona MacDonald asks Stuart Gray, interim chief executive of the PMETB, to set the record straight and tell us what the board is up to
Women in Psychiatry Special Interest Group
Authors: Ramsay Rosalind
Published: February 2018

Rosalind Ramsay outlines how this group can help women psychiatrists and their female patients
I have presented two research studies at scientific meetings. The abstracts have been published in society journal supplements. Is it appropriate for me to include both presentations and publications in my curriculum vitae?
Authors: Weissberg Peter
Published: February 2018

Got a career or related problem that needs answering? Can't find the right person to point you in the right direction? Log on to the Advice Zone (www.bmjcareers.com/advicezone) for reliable medical careers advice. You can post a question or see if one of our 300 advisers has already answered a similar question. Here is a selection of questions and answers posted on the site.
How can I become a life coach and is this compatible with a career in general practice?
Authors: Kersley Susan
Published: February 2018

Got a career or related problem that needs answering? Can't find the right person to point you in the right direction? Log on to the Advice Zone (www.bmjcareers.com/advicezone) for reliable medical careers advice. You can post a question or see if one of our 300 advisers has already answered a similar question. Here is a selection of questions and answers posted on the site.
How competitive is the psychiatry training in United Kingdom?
Authors: Bolton Jim
Published: February 2018

Got a career or related problem that needs answering? Can't find the right person to point you in the right direction? Log on to the Advice Zone (www.bmjcareers.com/advicezone) for reliable medical careers advice. You can post a question or see if one of our 300 advisers has already answered a similar question. Here is a selection of questions and answers posted on the site.
How to care for survivors of torture⇓
Authors: Cheal Carol
Published: February 2018

All doctors in the United Kingdom can expect to see patients who have been tortured at some stage in their career. Caroline Jewels, Helen Maguire, Brian Fine, and Carol Cheal discuss how to identify and support survivors of torture
Working to end female genital mutilation
Authors: Chaudhry Samena
Published: February 2018

This practice is illegal in the United Kingdom, but unfortunately it still goes on. Samena Chaudhry discusses the work of the charity FORWARD and what doctors can do to help young women at risk
Carer of torture victims
Authors: Arasu Anuradha
Published: February 2018

Anuradha Arasu talks to Gill Hinshelwood about her work for the Medical Foundation for the Care of Victims of Torture
Working in the media 1: options for doctors
Authors: Easton Graham
Published: February 2018

If you think you might be interested in working in the media but aren't sure what it will entail or how to go about it, this three part guide by Graham Easton should help
Is it possible to leave a specialist registrar job after signing a contract? How many months' notice should someone give, and what are the consequences?
Authors: Burnett Sarah
Published: February 2018

Got a career or related problem that needs answering? Can't find the right person to point you in the right direction? Log on to the Advice Zone (www.bmjcareers.com/advicezone) for reliable medical careers advice. You can post a question or see if one of our 300 advisers has already answered a similar question. Here is a selection of questions and answers posted on the site.
Which research degree should I do—MSc, MD, or PhD?
Authors: Hettiaratchy Shehan
Published: February 2018

Got a career or related problem that needs answering? Can't find the right person to point you in the right direction? Log on to the Advice Zone (www.bmjcareers.com/advicezone) for reliable medical careers advice. You can post a question or see if one of our 300 advisers has already answered a similar question. Here is a selection of questions and answers posted on the site.
Life in the fast lane: graduate entry to medicine
Authors: Rushforth Bruno
Published: February 2018

In the United Kingdom, the number of four year, fast track, graduate entry programmes to medicine have expanded and 700 students are now recruited this way every year. But are these programmes better, worse, or just different?
Bruno Rushforth
finds out more
Could animal activists affect your research?
Authors: Haris Ruwanee
Published: February 2018

How much is the activity of animal activists affecting researching doctors?
Ruwanee Haris
finds out
What drives political commitment for nutrition? A review and framework synthesis to inform the United Nations Decade of Action on Nutrition
Authors: Baker Phillip , Hawkes Corinna , Wingrove Kate , Demaio Alessandro Rhyl , Parkhurst Justin , Thow Anne Marie , Walls Helen
Published: February 2018

Introduction

Generating country-level political commitment will be critical to driving forward action throughout the United Nations Decade of Action on Nutrition (2016–2025). In this review of the empirical nutrition policy literature, we ask: what factors generate, sustain and constrain political commitment for nutrition, how and under what circumstances? Our aim is to inform strategic ‘commitment-building’ actions.

Method

We adopted a framework synthesis method and realist review protocol. An initial framework was derived from relevant theory and then populated with empirical evidence to test and modify it. Five steps were undertaken: initial theoretical framework development; search for relevant empirical literature; study selection and quality appraisal; data extraction, analysis and synthesis and framework modification.

Results

75 studies were included. We identified 18 factors that drive commitment, organised into five categories: actors; institutions; political and societal contexts; knowledge, evidence and framing; and, capacities and resources. Irrespective of country-context, effective nutrition actor networks, strong leadership, civil society mobilisation, supportive political administrations, societal change and focusing events, cohesive and resonant framing, and robust data systems and available evidence were commitment drivers. Low-income and middle-income country studies also frequently reported international actors, empowered institutions, vertical coordination and capacities and resources. In upper-middle-income and high-income country studies, private sector interference frequently undermined commitment.

Conclusion

Political commitment is not something that simply exists or emerges accidentally; it can be created and strengthened over time through strategic action. Successfully generating commitment will likely require a core set of actions with some context-dependent adaptations. Ultimately, it will necessitate strategic actions by cohesive, resourced and strongly led nutrition actor networks that are responsive to the multifactorial, multilevel and dynamic political systems in which they operate and attempt to influence. Accelerating the formation and effectiveness of such networks over the Nutrition Decade should be a core task for all actors involved.
Multidisciplinary analysis of invasive meningococcal disease as a framework for continuous quality and safety improvement in regional Australia
Authors: Taylor Kathryn A , Durrheim David N , Merritt Tony , Massey Peter , Ferguson John , Ryan Nick , Hullick Carolyn
Published: February 2018

Background

System factors in a regional Australian health district contributed to avoidable care deviations from invasive meningococcal disease (IMD) management guidelines. Traditional root cause analysis (RCA) is not well-suited to IMD, focusing on individual cases rather than system improvements. As IMD requires complex care across healthcare silos, it presents an opportunity to explore and address system-based patient safety issues.

Context

Baseline assessment of IMD cases (2005–2006) identified inadequate triage, lack of senior clinician review, inconsistent vital sign recording and laboratory delays as common issues, resulting in antibiotic administration delays and inappropriate or premature discharge.

Methods

Clinical governance, in partnership with clinical and public health services, established a multidisciplinary Meningococcal Reference Group (MRG) to routinely review management of all IMD cases. The MRG comprised representatives from primary care, acute care, public health, laboratory medicine and clinical governance. Baseline data were compared with two subsequent evaluation points (2011–2012 and 2013–2015).

Interventions

Phase I involved multidisciplinary process mapping and development of a standardised audit tool from national IMD management guidelines. Phase II involved formalisation of group processes and advocacy for operational change. Phase III focused on dissemination of findings to clinicians and managers.

Results

Greatest care improvements were observed in the final evaluation. Median antibiotic delay decreased from 72 to 42 min and proportion of cases triaged appropriately improved from 38% to 75% between 2013 and 2015. Increasing fatal outcomes were attributed to the emergence of more virulent meningococcal serotypes.

Conclusions

The MRG was a key mechanism for identifying system gaps, advocating for change and enhancing communication and coordination across services. Employing IMD case review as a focus for district-level process reflection presents an innovative patient safety approach, combining the strengths of prospective hazard analysis with more traditional RCA methodologies.
Curriculum review: colorectal cancer surveillance and management of dysplasia in IBD
Authors: Ibraheim Hajir , Dhillon Angad Singh , Koumoutsos Ioannis , Gulati Shraddha , Hayee Bu’Hussain
Published: February 2018

The significantly increased risk of colorectal cancer (CRC) in longstanding colonic inflammatory bowel disease (IBD) justifies the need for endoscopic surveillance. Unlike sporadic CRC, IBD-related CRC does not always follow the predictable sequence of low-grade to high-grade dysplasia and finally to invasive carcinoma, probably because the genetic events shared by both diseases occur in different sequences and frequencies. Surveillance is recommended for patients who have had colonic disease for at least 8-10 years either annually, every 3 years or every 5 years with the interval dependant on the presence of additional risk factors. Currently, the recommended endoscopic strategy is high-definition chromoendoscopy with targeted biopsies, although the associated lengthier procedure time and need for experienced endoscopists has limited its uniform uptake in daily practice. There is no clear consensus on the management of dysplasia, which continues to be a challenging area particularly when endoscopically invisible. Management options include complete resection (and/or referral to a tertiary centre), close surveillance or proctocolectomy. Technical advances in endoscopic imaging such as confocal laser endomicroscopy, show exciting potential in increasing dysplasia detection rates but are still far from being routinely used in clinical practice.
A moment for compassion: emerging rhetorics in end-of-life care
Authors: Zaman Shahaduz , Whitelaw Alexander , Richards Naomi , Inbadas Hamilton , Clark David
Published: February 2018

Compassion is an emotional response to the suffering of others. Once felt, it entails subsequent action to ameliorate their suffering. Recently, ‘compassion’ has become the flagship concept to be fostered in the delivery of end-of-life care, and a rallying call for social action and public health intervention. In this paper, we examine the emerging rhetorics of compassion as they relate to end-of-life care and offer a critique of the expanding discourse around it. We argue that, even where individuals ‘possess’ compassion or are ‘trained’ in it, there are difficulties for compassion to flow freely, particularly within Western society. This relates to specific sociopolitical structural factors that include the sense of privacy and individualism in modern industrialised countries, highly professionalised closed health systems, anxiety about litigation on health and safety grounds, and a context of suspicion and mistrust within the global political scenario. We must then ask ourselves whether compassion can be created intentionally, without paying attention to the structural aspects of society. One consequence of globalisation is that countries in the global South are rapidly trying to embrace the features of modernity adopted by the global North. We argue that unrealistic assumptions have been made about the role of compassion in end-of-life care and these idealist aspirations must be tempered by a more structural assessment of potential. Compassion that is not tied to to realistic action runs the risk of becoming empty rhetoric.
Career specialty choices of UK medical graduates of 2015 compared with earlier cohorts: questionnaire surveys
Authors: Lambert Trevor William , Smith Fay , Goldacre Michael J
Published: February 2018

Objective

To report the career specialty choices of UK medical graduates of 2015 one year after graduation and to compare these with the choices made at the same postgraduate stage by previous cohorts.

Design

National survey using online and postal questionnaires.

Setting

UK.

Participants

UK-trained medical graduates.

Main outcome measures

Grouped and individual specialty choices.

Results

The response rate was 41.3% (3040/7095). Among the graduates of 2015, general practice (27.8% of first choices) and hospital medical specialties (26.5%) were the most frequent first choices of long-term career. First choices for general practice declined among women from 36.1% for the 2005–2009 cohorts to 33.3% for the 2015 cohort, and among men from 22.4% for the 2005–2009 cohorts to 19.3% for the 2015 cohort. First choices for surgery declined among men (from 29.5% for the 2005–2009 cohorts to 21.7% for the 2015 cohort), but not among women (12.3% for the 2005–2009 cohorts and 12.5% for the 2015 cohort). There was an increase in the percentage of first choices for anaesthesia, psychiatry, radiology and careers outside medicine. Anaesthesia, oncology, paediatrics and radiology increased in popularity over time among men, but not among women.

Conclusions

Career choices for general practice remain low. Other current shortage specialties, apart from radiology and psychiatry, are not showing an increase in the number of doctors who choose them. Large gender differences remain in the choices for some specialties. Further work is needed into the determinants of junior doctors’ choices for shortage specialties and those with large gender imbalances.
Theoretical study on the reactions of a series of polybromobenzenes with OH radicals: mechanism, kinetics, and QSAR
Authors: Zheng Jian , Zhou Qin , Chen Chao , Jin Xinhui , Ma Wanyong , Zhang Chenxi , Zhou Jianhua
Published: February 2018

Polybromobenzenes are a kind of monocyclic aromatic flame retardants that are used as a substitute for polybrominated diphenyl ethers and hexabromocyclododecane. In this paper, the reaction mechanism and rate constants for the reaction of OH radicals with a series of polybromobenzenes such as hexabromobenzene (HBB), 1,2,4,5-tetrabromobenzenes (1,2,4,5-TeBB), pentabromobenzene (PEBB), pentabromoethylbenzene (PBEB), pentabromotoluene (PBT), and 2,4,5-tribromotoluene (2,4,5-TrBT) have been investigated by quantum chemical method. The reaction mechanism was obtained at the MPWB1K/6-311+g(3df,2p)//MPWB1K/6-31+g(d,p) level of theory and the rate constants were deduced over the temperature range of 200–370 K using canonical variational transition state (CVT) theory with the small curvature tunneling (SCT) method. The rate constants of OH radicals with HBB, 1,2,4,5-TeBB, PEBB, PBEB, PBT, and 2,4,5-TrBT are determined to be 5.72 × 10−13, 1.23 × 10−12, 8.78 × 10−13, 9.23 × 10−13, 6.46 × 10−13, and 1.69 × 10−12, respectively, at 298 K and 1 atm. The estimated atmospheric lifetimes of HBB (20.08 days), 1,2,4,5-TeBB (9.65 days), PEBB (13.5 days), PBEB (12.9 days), PBT (18.4 days), and 2,4,5-TrBT (7.0 days) determined by OH radicals indicate that polybromobenzenes have the potential for long-range transport. The genetic function approximation is used to study the quantitative structure–activity relationship. The coefficients indicate that the ELUMO has the highest correlation to logkOH.
A Recommendation Method Based on Semantic Similarity and Complementarity Using Weighted Taxonomy: A Case on Construction Materials Dataset
Authors: Bagherifard Karamollah , Rahmani Mohsen , Rafe Vahid , Nilashi Mehrbakhsh
Published: February 2018

Products and web pages are the main components of the e-commerce data knowledge and the relationship among them is an important issue to be highly considered in recommender systems. This study aims to focus on the similarity and complementarity relationships among the products that have wide applications in the recommender systems. In the previously proposed methods, products and their relationships were revealed using taxonomy and “IS-A” relationship. In addition, the similarity and complementarity calculations were conducted based on edge computation by assigning a similar degree to any edge. More specifically, the children of a concept in the taxonomy was supported by a similar father’s “IS-A” degree. In contrast, this study provides a new approach based on ontology, data mining, and automatic discovering algorithms for the relationships with different degrees for the edges among the concepts. Accordingly, these relationships are initialised according to the “IS-A” degree. With regard to this weighted taxonomy, the semantic similarity and complementarity are measured based on concept distance. In addition, the proposed recommender system is item-based, which uses semantic similarity and complementarity. The required data for the present study were collected from construction materials supplier. The results illustrated that our proposed method is effective for construction materials recommendation.
Synthesis, characterization and computational investigation of novel metalloporphyrazines containing 15-membered O2S2-donor macrocyclic moieties
Authors: Baygu Yasemin , Yıldız Burak , Kara İzzet , Dal Hakan , Gök Yaşar
Published: February 2018

New metalloporphyrazines (MgPz, ZnPz) containing peripheral tetrasubstitutions derived from 7,8-dihydro-6[Formula: see text],14[Formula: see text],19[Formula: see text]-dibenzo[bj][1,12,5,8]-dioxadithiacyclopentadecine-16,17-dicarbonitrile (6) have been synthesized by a multistep reaction sequence and characterized. Compound 6 has been prepared by the reaction of 1,3-di(2-bromomethyl phenoxy) propane (3) or 1,3-di(2-iodomethylphenoxy) propane (4) which were prepared via bromination or iodination of {2-[3-(2-hydroxymethylphenoxy)propoxy]-phenyl}methanol (2) and cis-1,2-dicyano-1,2-ethylenedithiolate (5). The novel magnesium porphyrazine was prepared by the cyclotetramerization reaction of 6 with magnesium butoxide. The one-step synthesis of porphyrazinato zinc complex has been achieved without a reaction sequence by using dicyano compound (6) and zinc butoxide. The prediction of the geometry optimization, normal mode frequencies, [Formula: see text]H, [Formula: see text]C NMR, UV absorption spectra, chemical shifts, electronic properties and NBO analysis of the compound were examined by using B3LYP method with a 6-31G([Formula: see text], [Formula: see text] basis set. These novel compounds were characterized by a combination of elemental analysis, [Formula: see text]H, [Formula: see text]C NMR, FT-IR, UV-vis and MS spectral data. An X-ray crystal structure of dicarbodinitrile compound (6) was also investigated.
Synthesis, characterization and electrochemical properties of novel pyridine phthalocyanine derivatives
Authors: Mızrak Büşra , Orman Efe Baturhan , Abdurrahmanoğlu Şaziye , Özkaya Ali Rıza
Published: February 2018

In this study, the novel Zn(II), metal-free and sandwich-type Lu(Pc)2 phthalocyanines containing tetra pyridine substituted at peripheral position were synthesized. All the new compounds have been characterized by FT-IR and UV-vis spectroscopy, [Formula: see text]H-NMR, MALDI-MS and elemental analysis. The electrochemical and spectroelectrochemical properties of all novel metallo- and metal free phthalocyanine compounds were also investigated by voltammetric and in situ spectroelectrochemical measurements on Pt in dimethylsulfoxide/tetrabutylammonium perchlorate.
Novel peripherally and non-peripherally 6-oxyflavone substituted metal-free, zinc(II) and cobalt(II) phthalocyanines: Electrochemical and in situ spectroelectrochemical properties
Authors: Arıbal Ahmet , Orman Efe Baturhan , Salan Ümit , Özkaya Ali Rıza , Bulut Mustafa
Published: February 2018

In this study, novel tetrasubstituted zinc(II), cobalt(II) and metal free phthalocyanines containing 6-hydroxyflavonoxy moieties at peripheral and non-peripheral positions have been prepared. The phthalonitriles were synthesized from 6-hydroxyflavone with 4-nitrophthalonitrile and 3-nitrophthalonitrile in dimethylformamide. Preparation of tetra-substituted peripheral and non-peripheral metallo- and metal-free phthalocyanines was performed at 170–180°C using the corresponding phthalonitriles in the presence of N,N-dimethylethanolamine, metal acetate and lithium acetate, respectively. The structures of the newly-synthesized phthalocyanine compounds have been characterized by elemental analysis and UV-vis, FT-IR, [Formula: see text]H NMR and MALDI-TOF mass spectroscopies. Electron transfer properties of the phthalocyanine compounds were investigated by voltammetric and in situ spectroelectrochemical measurements on Pt in dimethylsulfoxide/tetrabutylammonium perchlorate. Zinc(II) and metal-free compounds show Pc ring-based one-electron redox processes, whereas cobalt(II) produces both Pc ring- and metal-based one-electron redox processes, associated with net color changes.
Water Civilization: The Evolution of the Dutch Drinking Water Sector
Authors: Zetland David , Colenbrander Bene
Published: February 2018

Dutch drinking water companies now deliver safe affordable water to the entire population, but this result was not planned. It emerged, rather, from an evolutionary process in which various pressures on the commons resulted in changes to drinking water systems that addressed old concerns but uncovered new problems. Our analytical narrative traces this problem-solution-new problem pattern through four eras in which a common-pool dilemma is addressed by a private-good solution (1850–1880), a club-good solution (1880–1910) and a public-good solution (1910–1950) before returning to a private-good solution in the last 1950–1990 era. Actions, like the dates just given, were not always exact or effective, as the process was shaped by changing social norms regarding the distribution of costs and benefits from improved water services. This Dutch history is unique, but its insights can help improve drinking water services elsewhere.
Guest Editorial
Authors: Lin Yu-Ru , Cao Nan
Published: February 2018

The analysis of human behaviors has impacted many social and commercial domains. How could interactive visual analytic systems be used to further provide behavioral insights? This editorial introduction features emerging research trend related to this question. The four articles accepted for this special issue represent recent progress: they identify research challenges arising from analysis of human and crowd behaviors, and present novel methods in visual analysis to address those challenges and help make behavioral data more useful.
A Cross-Domain Collaborative Filtering Algorithm Based on Feature Construction and Locally Weighted Linear Regression
Authors: Yu Xu , Lin Jun-yu , Jiang Feng , Du Jun-wei , Han Ji-zhong
Published: February 2018

Cross-domain collaborative filtering (CDCF) solves the sparsity problem by transferring rating knowledge from auxiliary domains. Obviously, different auxiliary domains have different importance to the target domain. However, previous works cannot evaluate effectively the significance of different auxiliary domains. To overcome this drawback, we propose a cross-domain collaborative filtering algorithm based on Feature Construction and Locally Weighted Linear Regression (FCLWLR). We first construct features in different domains and use these features to represent different auxiliary domains. Thus the weight computation across different domains can be converted as the weight computation across different features. Then we combine the features in the target domain and in the auxiliary domains together and convert the cross-domain recommendation problem into a regression problem. Finally, we employ a Locally Weighted Linear Regression (LWLR) model to solve the regression problem. As LWLR is a nonparametric regression method, it can effectively avoid underfitting or overfitting problem occurring in parametric regression methods. We conduct extensive experiments to show that the proposed FCLWLR algorithm is effective in addressing the data sparsity problem by transferring the useful knowledge from the auxiliary domains, as compared to many state-of-the-art single-domain or cross-domain CF methods.
Inducers of Senescence, Toxic Compounds, and Senolytics: The Multiple Faces of Nrf2-Activating Phytochemicals in Cancer Adjuvant Therapy
Authors: Malavolta Marco , Bracci Massimo , Santarelli Lory , Sayeed Md Abu , Pierpaoli Elisa , Giacconi Robertina , Costarelli Laura , Piacenza Francesco , Basso Andrea , Cardelli Maurizio , Provinciali Mauro
Published: February 2018

The reactivation of senescence in cancer and the subsequent clearance of senescent cells are suggested as therapeutic intervention in the eradication of cancer. Several natural compounds that activate Nrf2 (nuclear factor erythroid-derived 2-related factor 2) pathway, which is involved in complex cytoprotective responses, have been paradoxically shown to induce cell death or senescence in cancer. Promoting the cytoprotective Nrf2 pathway may be desirable for chemoprevention, but it might be detrimental in later stages and advanced cancers. However, senolytic activity shown by some Nrf2-activating compounds could be used to target senescent cancer cells (particularly in aged immune-depressed organisms) that escape immunosurveillance. We herein describe in vitro and in vivo effects of fifteen Nrf2-interacting natural compounds (tocotrienols, curcumin, epigallocatechin gallate, quercetin, genistein, resveratrol, silybin, phenethyl isothiocyanate, sulforaphane, triptolide, allicin, berberine, piperlongumine, fisetin, and phloretin) on cellular senescence and discuss their use in adjuvant cancer therapy. In light of available literature, it can be concluded that the meaning and the potential of adjuvant therapy with natural compounds in humans remain unclear, also taking into account the existence of few clinical trials mostly characterized by uncertain results. Further studies are needed to investigate the therapeutic potential of those compounds that display senolytic activity.
Dielectric Properties of Azo Polymers: Effect of the Push-Pull Azo Chromophores
Authors: Zhang Xuan , Wen Ziqi , Zhang Hongxing , Han Weihua , Ma Jinyi , Wei Renbo , Hua Xiufu
Published: February 2018

The relationship between the structure and the dielectric properties of the azo polymers was studied. Four azo polymers were synthesized through the azo-coupling reaction between the same precursor (PAZ) and diazonium salts of 4-aminobenzoic acid ethyl ester, 4-aminobenzonitrile, 4-nitroaniline, and 2-amino-5-nitrothiazole, respectively. The precursor and azo polymers were characterized by 1H NMR, FT-IR, UV-vis, GPC, and DSC. The dielectric constant and dielectric loss of the samples were measured in the frequency range of 100 Hz–200 kHz. Due to the existence of the azo chromophores, the dielectric constant of the azo polymers increases compared with that of the precursor. In addition, the dielectric constant of the azo polymers increases with the increase of the polarity of the azo chromophores. A random copolymer (PAZ-NT-PAZ) composed of the azo polymer PAZ-NT and the precursor PAZ was also prepared to investigate the content of the azo chromophores on the dielectric properties of the azo polymers. It showed that the dielectric constant increases with the increase of the azo chromophores. The results show that the dielectric constant of this kind of azo polymers can be controlled by changing the structures and contents of azo chromophores during the preparation process.
Degradation of the Reactive Blue 4 Dye in Aqueous Solution Using Zero-Valent Copper Nanoparticles
Authors: Marcelo Cristiana Resende , Puiatti Gustavo Alves , Nascimento Mayra Aparecida , Oliveira André F. , Lopes Renata P.
Published: February 2018

The degradation of the Reactive Blue 4 (RB4) dye by zero-valent copper nanoparticles (nZVC) was investigated. Degradation rates of approximately 90% were reached within 10 minutes of reaction. Total Organic Carbon (TOC) analysis shows that the dye molecules undergo mineralization, therefore indicating the degradation process is oxidative. Experimental tests, held in the presence of tertiary butyl alcohol, acting as a hydroxyl radicals (∙OH) captor, and copper (I) oxide, demonstrated that the reaction mechanism is governed by the concentration of Cu (I) instead of ∙OH. The second-order kinetics model was the most appropriate one to explain the experimental data. Higher values of the reaction rate constant were obtained in higher temperatures and higher nZVC doses and in lower RB4 initial concentrations. The initial pH in more acidic conditions (3 and 4) was kinetically more favorable to the degradation reaction; the activation energy was estimated to be 42 kJ mol−1 based on calculations using the experimental data. Finally, the recovered nanoparticles were utilized on a new reaction cycle, showing a small loss of their efficiency and catalytic activity.
Fast Video Dehazing Using Per-Pixel Minimum Adjustment
Authors: Luan Zhong , Zeng Hao , Shang Yuanyuan , Shao Zhuhong , Ding Hui
Published: February 2018

To reduce the computational complexity and maintain the effect of video dehazing, a fast and accurate video dehazing method is presented. The preliminary transmission map is estimated by the minimum channel of each pixel. An adjustment parameter is designed to fix the transmission map to reduce color distortion in the sky area. We propose a new quad-tree method to estimate the atmospheric light. In video dehazing stage, we keep the atmospheric light unchanged in the same scene by a simple but efficient parameter, which describes the similarity of the interframe image content. By using this method, unexpected flickers are effectively eliminated. Experiments results show that the proposed algorithm greatly improved the efficiency of video dehazing and avoided halos and block effect.
Surrogate and Intermediate Endpoints in Randomized Trials: What's the Goal?
Authors: Korn Edward L. , Freidlin Boris
Published: February 2018

Establishing trial-level surrogacy of an intermediate endpoint for predicting survival benefit in future trials is extremely challenging because of the extrapolations required, but there are other useful drug development and patient management applications of intermediate endpoints. Clin Cancer Res; 24(10); 2239–40. ©2018 AACR.

See related article by Mushti et al., p. 2268
Rhotics and Palatalization: An Acoustic Examination of Upper and Lower Sorbian
Authors: Howson Phil
Published: February 2018

Two of the major problems with rhotics are: (1) rhotics, unlike most other classes, are highly resistant to secondary palatalization, and (2) acoustic cues for rhotics as a class have been elusive. This study examines the acoustics of Upper and Lower Sorbian rhotics. Dynamic measures of the F1-F3 and F2-F1 were recorded and compared using SSANOVAs. The results indicate there is a striking delay in achievement of F2 for both the palatalized rhotics, while F2, F1, and F2-F1 are similar for all the rhotics tested here. The results suggest an inherent articulatory conflict between rhotics and secondary palatalization. The delay in the F2 increase indicates a delay in the palatalization gesture. This is likely due to conflicting constraints on the tongue dorsum. There was also an overlap in the F2 and F2-F1 for both the uvular and alveolar rhotics. This suggests a strong acoustic cue to rhotic classhood is found in the F2 signal. The overall formant similarities in frequency and trajectory also suggest a strong similarity in the vocal tract shapes between uvular and alveolar rhotics.
Different Weight Histories and Risk of Incident Coronary Heart Disease and Stroke: Tehran Lipid and Glucose Study
Authors: Kabootari Maryam , Asgari Samaneh , Mansournia Mohammad Ali , Khalili Davood , Valizadeh Majid , Azizi Fereidoun , Hadaegh Farzad
Published: February 2018

Background

This study aimed to determine the association between different weight histories, including cumulative excess weight, cumulative excess waist circumference (
WC
), duration of general and central adiposity, current and maximum body mass index, and current and maximum WC, and incident coronary heart disease (
CHD
) and stroke.

Methods and Results

The study population consisted of 4398 adults aged ≥40 years without
CHD
or stroke at baseline. Associations between different weight histories and
CHD
and stroke were determined by multivariable time‐varying Cox regression models after adjustment for age, sex, and time‐varying confounders. Further adjustment was also done for mediators (eg, diabetes mellitus, hypercholesterolemia, and hypertension). During median follow‐up of 13.9 years, 718 incident
CHD
and 158 stroke events were documented. Multivariable adjusted hazard ratios (HRs) were calculated in the sex and confounder adjusted model for CHD per 1‐SD increase in cumulative excess weight (HR: 1.02; 95% confidence interval [
CI
], 0.96–1.07), cumulative excess WC (HR: 1.14; 95% CI, 1.04–1.24), duration of general adiposity (HR: 1.00; 95% CI, 0.92–1.08), duration of central adiposity (HR: 1.01; 95% CI, 0.93–1.09), current body mass index (HR: 1.03; 95% CI, 0.99–1.07), current WC (HR: 1.21; 95% CI, 1.11–1.32), maximum body mass index (HR: 1.01; 95% CI, 0.95–1.07), and maximum
WC
(HR: 1.17; 95% CI, 1.07–1.28). After further adjustment for mediators, current and maximum
WC
still showed a significant risk (HR: 1.13 [95% CI, 1.03–1.23] and 1.09 [95% CI, 1.00–1.20], respectively). Moreover, in the sex and confounder adjusted model, cumulative excess WC and maximum
WC
were associated with higher risk of stroke (hazard ratio: 1.21 [95% CI, 0.99–1.48] and 1.25 [95% CI, 1.02–1.55], respectively).

Conclusions

Exposure to cumulative excess weight and cumulative excess WC confers little additional risk beyond their current and maximum values. Even current and maximum
WC
were associated with incident
CHD
in the presence of obesity mediators, and the latter was a significant predictor of stroke in the presence of confounders.
U‐Shaped Association Between Serum Uric Acid Levels With Cardiovascular and All‐Cause Mortality in the Elderly: The Role of Malnourishment
Authors: Tseng Wei‐Cheng , Chen Yung‐Tai , Ou Shuo‐Ming , Shih Chia‐Jen , Tarng Der‐Cherng , Tarng Der‐Cherng , Tseng Wei‐Cheng , Ou Shuo‐Ming , Yang Chih‐Yu , Lin Yao‐Ping , Chuang Yi‐Fang , Chen Liang‐Kung , Wang Kwua‐Yun , Chen Yu‐Hsin , Tsai Ming‐Tsun , Shih Chia‐Jen , Chen Yung‐Tai , Lin Yi‐Sheng , Hung Szu‐Chun , Kuo Ko‐Lin , Hung Tung‐Po , Hu Fen‐Hsiang , Chen Nien‐Jung , Chen Yu‐Chi , Lin Chi‐Hung , Tsai Tung‐Hu , Hsieh Shie‐Liang , Wei Yau‐Huei , Hsu Chih‐Cheng , Liu Jia‐Sin , Chang Yu‐Kang , Chiang Ming‐Han
Published: February 2018

Background

The link between elevated serum uric acid (
SUA
) levels and cardiovascular disease (
CVD
)–related mortality in the elderly population remains inconclusive. Nutritional status influences both
SUA
and
CVD
outcomes. Therefore, we investigated whether
SUA
‐predicted mortality and the effect‐modifying roles of malnourishment in older people.

Methods and Results

A longitudinal Taiwanese cohort including 127 771 adults 65 years and older participating in the Taipei City Elderly Health Examination Program from 2001 to 2010 were stratified by 1‐mg/dL increment of
SUA
. Low
SUA
(<4 mg/dL) strata was categorized by malnourishment status defined as Geriatric Nutritional Risk Index <98, serum albumin <38 g/L, or body mass index <22 kg/m
2
. Study outcomes were all‐cause and
CVD
‐related mortality. Cox models were used to estimate hazard ratios (
HRs
) of mortality, after adjusting for 20 demographic and comorbid covariates. Over a median follow‐up of 5.8 years, there were 16 439 all‐cause and 3877
CVD
‐related deaths. Compared with the reference
SUA
strata of 4 to <5 mg/dL, all‐cause mortality was significantly higher at
SUA
<4 mg/dL (
HR
, 1.16; 95% confidence interval, 1.07–1.25) and ≥8 mg/dL (
HR
, 1.13; confidence interval, 1.06–1.21), with progressively elevated risks at both extremes. Similarly, increasingly higher
CVD
‐related mortality was found at the SUA level <4 mg/dL (
HR
, 1.19; confidence interval, 1.00–1.40) and ≥7 mg/dL (
HR
, 1.17; confidence interval, 1.04–1.32). Remarkably, among the low
SUA
(<4 mg/dL) strata, only malnourished participants had greater all‐cause and
CVD
‐related mortality. This modifying effect of malnourishment remained consistent across subgroups.

Conclusions

SUA
≥8 or <4 mg/dL independently predicts higher all‐cause and
CVD
‐related mortality in the elderly, particularly in those with malnourishment.