Nursing Leadership in Home and Community Care: An Introduction.

PubMed

Donner, Gail

2017-01-01

There is agreement across all provinces that there is transformation needed in the area of home and community care. Yet, where is the collective voice of nurse leaders in this transformation? The guest editor calls on nurses to respond to this unique opportunity to shape the transformation of our health system, and improve care for patients and their caregivers.

Language, Experience and Professional Learning (What Walter Benjamin Can Teach Us)

ERIC Educational Resources Information Center

Doecke, Brenton; Pereira, Iris Susana Pires

2012-01-01

This essay raises questions about how language educators might construct and further develop their epistemology of practice in and through the situations in which they work from day to day. The occasion for this paper is our work as guest editors of a special issue of "L-1: Educational Studies in Language and Literature," when we invited…

Industry Collaboration and Primary Guest Authorship of High-Impact Randomized Clinical Trials: A Cross-Sectional Study.

PubMed

Roper, Nitin; Korenstein, Deborah

2015-10-01

Journals have increased disclosure requirements in recent years, in part to deter guest authorship. The prevalence of guest authorship among primary authors (first and last) in the current era of increased disclosure requirements is unknown. Our aim was to examine the self-reported prevalence of guest authorship among primary authors from a sample of randomized clinical trials with and without industry funding and industry collaboration in the design, analysis or reporting of trials. Cross-sectional analysis of randomized, drug/device clinical trials with published details on the "Role of the Funding Source/Sponsor" published in high-impact biomedical journals between 1 December 2011 and 31 November 2012. Phase 1 or 2 trials, secondary trial analyses, and trials that were not listed on ClinicalTrials.gov were excluded. Primary guest authorship was defined, based on International Committee of Medical Journal Editors (ICMJE) criteria, when neither the first nor last author contributed to either of the following: 1) the design of the trial or the analysis/interpretation of data; or 2) drafting part or all of the manuscript. One hundred and sixty-eight randomized clinical trials that met inclusion criteria were included. We measured differences in the prevalence of guest authorship between trials with neither industry funding nor collaboration and 1) trials with industry funding without collaboration, and 2) trials with industry funding with collaboration. The overall prevalence of primary guest authorship was 6 % (10/168). Primary guest authorship was significantly more common in trials with industry funding with collaboration than in those with neither industry funding nor collaboration [13.2 % (10/76) vs. 0 % (0/39); p < 0.02]. Primary guest authorship did not differ between trials with industry funding without collaboration and trials with neither industry funding nor collaboration. Among a sample of randomized, drug/device clinical trials in high-impact biomedical journals, primary guest authorship was overall uncommon and occurred exclusively among trials with industry funding with collaboration.

Meet the APJON Editorial Board

PubMed Central

2016-01-01

The following oncology nurses, nurse practitioners, educators, administrators, and other healthcare providers comprise the Editorial Board of the Asia-Pacific Journal of Oncology Nursing (APJON) for 2016. They are involved in cancer care and support APJON's mission to provide a platform for oncology nurses from Asia-Pacific region to share information in all field of oncology nursing from prevention to palliative care. Since 2015, there has been a special topic in each issue, with the topic editor soliciting articles reading all the submitted articles and serving as guest editor for that issue of the journal. We welcome your comments, ideas, and suggestions for special topics. Contact information can be found at the end of each description.

CALL FOR PAPERS: Progress in Supersymmetric Quantum Mechanics

NASA Astrophysics Data System (ADS)

2003-11-01

This is a call for contributions to a Special Issue of Journal of Physics A: Mathematical and General entitled `Statistical Physics of Disordered Systems: from Real Materials to Optimization and Codes'. This issue should be a place for high quality original work. We stress the fact that we are interested in having the topic interpreted broadly: we would like to have contributions ranging from equilibrium and dynamical studies of spin glasses, glassy behaviour in amorphous materials, and low temperature physics, to applications in non-conventional areas such as error correcting codes, image analysis and reconstruction, optimization, and algorithms based on statistical mechanical ideas. We believe that we have arrived at a very exciting moment for the development of this multidisciplinary approach, and that this issue will be of a high standard and prove to be a very useful tool in the future. The Editorial Board has invited E Marinari, H Nishimori and F Ricci-Tersenghi to serve as Guest Editors for the Special Issue. Their criteria for acceptance of contributions are the following: bullet The subject of the paper should relate to the statistical physics of disordered systems. bullet Contributions will be refereed and processed according to the usual procedures of the journal. bullet Papers should be original (they should not be simply reviews of authors' own work that is already published elsewhere). bullet Review articles will be considered for inclusion in the Special Issue only in very special cases. The editors will analyse potential proposals of reviews, and if needed they will ask for some review contributions. The guidelines for the preparation of contributions are the following: bullet The deadline for submission of contributions is 31 March 2003. This deadline will allow the Special Issue to appear in about October 2003. bullet There is a nominal page limit of 15 printed pages (approximately 9000 words) per research contribution. The contributions that have been approved by the Guest Editors as review articles will have a limit of 30 printed pages (18000 words). Papers exceeding these limits may be accepted at the discretion of the Guest Editors. Further advice on publishing your work in Journal of Physics A: Mathematical and General may be found at www.iop.org/Journals/jphysa. bullet Contributions to the Special Issue should if possible be submitted electronically at www.iop.org/Journals/jphysa or by e-mail to jphysa@iop.org, quoting `JPhysA Special Issue -- Statistical Physics of Disordered Systems'. Submissions should ideally be in either standard LaTeX form or Microsoft Word. Please see the web site for further information on electronic submissions. bullet Authors unable to submit electronically may send hard copy contributions to: Publishing Administrators, Journal of Physics A, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK, enclosing the electronic code on floppy disk if available and quoting `JPhysA Special Issue -- Statistical Physics of Disordered Systems'. bullet All contributions should be accompanied by a read-me file or covering letter giving the postal and e-mail addresses for correspondence. The Publishing Office should be notified of any subsequent change of address. This Special Issue will be published in both paper and online editions of the journal. The corresponding author of each contribution will receive a complimentary copy of the issue in addition to the usual 25 free offprints of their article. E Marinari, H Nishimori and F Ricci-Tersenghi Guest Editors

Artificial Photosynthesis: Beyond Mimicking Nature

DOE PAGES

Dau, Holger; Fujita, Etsuko; Sun, Licheng

2017-11-13

In this Editorial, Guest Editors Holger Dau, Etsuko Fujita, and Licheng Sun introduce the Special Issue of ChemSusChem on “Artificial Photosynthesis for Sustainable Fuels”. Here, they discuss the need for non-fossil based fuels, introduce both biological and artificial photosynthesis, and outline various important concepts in artificial photosynthesis, including molecular and solid-state catalysts for water oxidation and hydrogen evolution, catalytic CO 2 reduction, and photoelectrochemical systems.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Palmer, Donald; Rard, Joseph A.

Our journal has gone through a number of significant changes during the last twelve months. Sadly we learnt of the passing of one of our distinguished board members Prof. Hitoshi Ohtaki. In 2004 two special issues (June/July) were dedicated to honor his scientific career (Professor Yamaguchi was the originator of this tribute and also served as guest editor). We will miss his active participation in guiding the future of the Journal of Solution Chemistry.

Artificial Photosynthesis: Beyond Mimicking Nature

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dau, Holger; Fujita, Etsuko; Sun, Licheng

In this Editorial, Guest Editors Holger Dau, Etsuko Fujita, and Licheng Sun introduce the Special Issue of ChemSusChem on “Artificial Photosynthesis for Sustainable Fuels”. Here, they discuss the need for non-fossil based fuels, introduce both biological and artificial photosynthesis, and outline various important concepts in artificial photosynthesis, including molecular and solid-state catalysts for water oxidation and hydrogen evolution, catalytic CO 2 reduction, and photoelectrochemical systems.

Challenges of transitioning from a faculty to an administrative role: part 2, moving from individual contributor to group leader.

PubMed

Thompson, Cesarina M

2011-01-01

Many new nursing leaders assuming deanships, assistant, or interim deanships have limited education, experience, or background to prepare them for the job. To assist new deans and those aspiring to be deans, Jana L. Pressler, PhD, RN, and Carole A. Kenner, PhD, RNC-NIC, FAAN, the editors of this department, address common issues, challenges, and opportunities that face academic executive teams, such as negotiating an executive contract, obtaining faculty lines, building effective work teams, managing difficult employees, and creating nimble organizational structure to respond to changing consumer, healthcare delivery, and community needs. In this article, the editors asked guest author, Dr Cesarina Thompson, to discuss the transition process from faculty to administrative role.

Understanding Protein-Protein Interactions: Essential Players in (Patho)physiology (Part 1).

PubMed

Wilson, Andrew J; Gunning, Patrick T

2016-04-15

This is the first of a two-part Editorial by the Guest Editors of the ChemBioChem and ChemMedChem joint Special Issue on Protein-Protein Interactions. Part 2 can be accessed via http://dx.doi.org/10.1002/cmdc.201600158; the complete issue can be viewed here: bit.ly/cbcVIppi. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Publishing Your Music Education Research: A Seminar for Future Authors--A Summary of the 2009 Ohio Music Education Association Research Forum Presented By Dr. Wendy Sims

ERIC Educational Resources Information Center

Schatt, Matthew D.

2009-01-01

The Ohio Music Education Association (OMEA) Research Committee annually hosts a Graduate Research Forum in conjunction with the OMEA's Professional Development Conference. In 2009, the guest speaker was Dr. Wendy Sims, Director of Music Education at the University of Missouri--Columbia and Editor of the Journal of Research in Music Education. An…

Challenging the Politics of the Teacher Accountability Movement: Toward a More Hopeful Educational Future. Occasional Paper Series 27

ERIC Educational Resources Information Center

Bank Street College of Education, 2012

2012-01-01

Guest editors Gail Boldt and William Ayers have asked 14 leading educators to address the politics of the teacher accountability movement in America. Who benefits and who is hurt? What is gained and what is lost? How can we move forward with a more hopeful and inclusive vision of our educational future? All of the contributors are motivated by an…

High-Energy Trauma and Damage Control in the Lower Limb

DTIC Science & Technology

2010-01-01

Reconstruction : From Microsurgery Reconstruction to Transplantation; Guest Editors, Chih-Hung Lin, M.D., and Fu-Chan Wei, M.D. Semin Plast Surg...continue intraoperatively.12–14 The goal is to achieve hemostasis, restore normal physiology, and potentially complete a vascular reconstruction upon...injuries and the need for vascular reconstruction at the time of admission is crucial to the success of grafting and maximizes the chances of limb

A New Interface Specification Methodology and its Application to Transducer Synthesis

DTIC Science & Technology

1988-05-01

structural, and physical. Within each domain descriptive methods are distinguished by the level of abstraction they emphasize. The Gajski -Kuhn Y...4.2. The Gajski -Kuhn Y-chart’s three axes correspond to three different domains for describing designs: behavioral, structural, and physical. The...Gajski83] D. Gajski , R. Kuhn, Guest Editors’ Introduction: New VLSI Tools, IEEE Computer, Vol. 16, No. 12, December 1983. [Girczyc85] E. Girczyc, R

EDITORIAL: Message from the Editor Message from the Editor

NASA Astrophysics Data System (ADS)

Thomas, Paul

2010-02-01

This year Nuclear Fusion celebrates its fiftieth anniversary. This has been marked by the January special edition, containing papers presented at the plenary and celebratory evening session of the 22nd Fusion Energy Conference at Geneva. These papers underline the enormous progress that has been made in the last 50 years both in experiment and theory. Whilst the technical challenges that we face are still formidable, they are largely concerned with engineering a fusion reactor rather than fundamental plasma physics. In my editorial of a year ago, I remarked on the price of oil and the incentive that it gives to develop nuclear fusion into a viable energy source. This last year, attention has shifted somewhat from the markets to the environment and the Copenhagen climate summit in particular. The timescale for action on the environment is much shorter than we can possibly match and so we can only play our part towards developing long term solutions. Our responsibility is to present a programme that has the clear goal in developing a sustainable source of energy and, as the next step, make an unambiguous success of ITER. The Nuclear Fusion journal has continued to make an important contribution to the research programme and has maintained its position as the leading journal in the field. The journal depends entirely on its authors and referees and so I would like to thank them all for their work in 2009 and look forward to a continuing, successful collaboration in 2010. Refereeing The Nuclear Fusion Editorial Office understands how much effort is required of our referees. The Editorial Board decided that an expression of thanks to our most loyal referees is appropriate and so, since January 2005, we have been offering the top ten most active referees over the past year a personal subscription to Nuclear Fusion with electronic access for one year, free of charge. This year, seven of the top referees have reviewed four or more manuscripts in the period November 2008 to November 2009 and provided particularly detailed advice to the authors. The other three have been very helpful in 'minority fields'. We have excluded our Board members, Guest Editors of special editions and those referees who were already listed in the last four years. Guest Editors' work on papers submitted to their Special Issues is also excluded from consideration. The following people have been selected: Tomonori Takizuka, JAEA-Naka Fusion Institute, Japan Rudolf Neu, Max-Planck-Institut für Plasmaphysik, Germany Sibylle Guenter, Max-Planck-Institut für Plasmaphysik, Germany Taik-Soo Hahm, Princeton Plasma Physics Laboratory, United States David R. Mikkelsen, Princeton Plasma Physics Laboratory, United States Peter C. de Vries, EURATOM/UKAEA Fusion Association, United Kingdom Yasuhiro Suzuki, National Institute for Fusion Science, Japan Jerzy Wolowski, Institute of Plasma Physics and Laser Microfusion, Poland Tetsuo Tanabe, Kyushu University, Japan Yasuyuki Yagi, National Institute of Advanced Industrial Science and Technology, Japan Congratulations and many, many thanks! The Guest Editors of special editions deserve a special mention for the excellent help that they have given us. They are: Taik-Soo Hahm, Princeton Plasma Physics Laboratory, United States, Special Issue on H-Mode Physics and Transport Barriers Yaroslav Kolesnichenko, Institute for Nuclear Research, Ukraine, Special Issue on Energetic Particles in Magnetic Confinement Systems Kimitaka Itoh, National Institute for Fusion Science, Japan and Howard R. Wilson, University of York, UK, Special Issue on Plasma Instabilities Bernhard Unterberg, Forschungszentrum Juelich, Germany, Special Issue on Stochastic Fusion Plasma In addition, there is a group of several hundred referees who have helped us in the past year to maintain the high scientific standard of Nuclear Fusion. At the end of this issue we give the full list of all referees for 2009. Our thanks to them! Authors The winner of the 2009 Nuclear Fusion award was Steven A. Sabbagh et al for the paper entitled 'Resistive wall stabilized operation in rotating high beta NSTX plasmas' (Nucl. Fusion 46 635-644). Reviews Last year I announced a revival of Nuclear Fusion Reviews, following a decision by the Board of Editors. 'A review of zonal flow experiments', by Akihide Fujisawa was the first fruit of this. In 2010, we are expecting to publish further review articles, the first of which is entitled 'Gyrokinetic simulations of turbulent transport' by Xavier Garbet, Yasuhiro Idomura, Laurent Villard and Tomo-Hiko Watanabe. Letters At the 2009 Board of Editors Meeting in Atlanta, the current letters procedure was summarized and it was noted that the peer review time for Letters is quite variable. Some are accepted within a month of submission, others take longer. Since the purpose of Letters is to provide a route for rapid communication, this is quite an important matter. It was agreed that the Board of Editors would play a more active role in the Letter approval process. If a reviewer asks for a second revision the Editor or a Board of Editors member will be queried as to whether the submission should still be treated as a Letter rather than a regular Paper. The Board of Editors The following Board of Editors members reached the end of their term in 2009: Amanda Hubbard, Yaroslav Kolesnichenko, Kunioki Mima, Boris Sharkov and Michael Ulrickson. On behalf of the Nuclear Fusion Office and the Chairman of the Board of Editors, Mitsuru Kikuchi, I would like to thank them for their efforts in support of the journal. At the same time, we welcomed: Hiroshi Azechi, Xuru Duan, Richard Hawryluk, Sergey Konovalov, Bruce Lipschultz, Peter Norreys, Francesco Romanelli, Tony Taylor and Hartmut Zohm. I am sure that such an illustrious group does not need any introduction to the readers of Nuclear Fusion and I am confident that the new members can only further the success of the journal. It is with great sadness that I have to note the passing away of the following former members of the Board of Editors: Ravindra Sudan (1975 to 1984), Joe Di Marco (1984 to 1991) and Roy Bickerton (1975 to 1986). The Nuclear Fusion Office and IOP Publishing Just as the journal depends on the authors and referees, so its success is also due to the tireless and largely unsung efforts of the Nuclear Fusion Office in Vienna and IOP Publishing in Bristol. I would like to express my personal thanks to Maria Bergamini-Roedler, Katja Haslinger, Sophy Le Masurier, Yasmin McGlashan, Caroline Wilkinson, Sarah Ryder, Rachael Kriefman and Katie Gerrard for the support that they have given to me, the authors and the referees. Season's Greetings The January special edition delayed this editorial for a month. Nevertheless, I would like belatedly to wish our readers, authors, referees and Board of Editors the season's greetings and thank them for their contributions to Nuclear Fusion in 2009.

PREFACE: 31st European Physical Society Conference on Plasma Physics

NASA Astrophysics Data System (ADS)

Dendy, Richard

2004-12-01

This special issue of Plasma Physics and Controlled Fusion comprises refereed papers contributed by invited speakers at the 31st European Physical Society Conference on Plasma Physics. The conference was jointly hosted by the Rutherford Appleton Laboratory, by the EURATOM/UKAEA Fusion Association and by Imperial College London, where it took place from 28 June to 2 July 2004. The overall agenda for this conference was set by the Board of the Plasma Physics Division of the European Physical Society, chaired by Friedrich Wagner (MPIPP, Garching) and his successor Jo Lister (CRPP, Lausanne). It built on developments in recent years, by further increasing the scientific diversity of the conference programme, whilst maintaining its depth and quality. A correspondingly diverse Programme Committee was set up, whose members are listed below. The final task of the Programme Committee has been the preparation of this special issue. In carrying out this work, as in preparing the scientific programme of the conference, the Programme Committee formed specialist subcommittees representing the different fields of plasma science. The chairmen of these subcommittees, in particular, accepted a very heavy workload on behalf of their respective research communities. It is a great pleasure to take this opportunity to thank: Emilia R Solano (CIEMAT, Madrid), magnetic confinement fusion; Jürgen Meyer-ter-Vehn (MPQ, Garching), laser-plasma interaction and beam plasma physics; and Jean-Luc Dorier (CRPP, Lausanne), dusty plasmas. The relatively few papers in astrophysical and basic plasma physics were co-ordinated by a small subcommittee which I led. Together with Peter Norreys (RAL, Chilton), we five constitute the editorial team for this special issue. The extensive refereeing load, compressed into a short time interval, was borne by the Programme Committee members and by many other experts, to whom this special issue owes much. We are also grateful to the Local Organizing Committee chaired by Henry Hutchinson (RAL, Chilton), and to the Plasma Physics and Controlled Fusion journal team (Institute of Physics Publishing, Bristol), for their work on this conference. At the 2004 European Physical Society Conference on Plasma Physics, plenary invited speakers whose talks spanned the entire field were followed, each day, by multiple parallel sessions which also included invited talks. Invited speakers in both these categories were asked to contribute papers to this special issue (the contributed papers at this conference, and at all recent conferences in this series, are archived at http://epsppd.epfl.ch). The Programme Committee is very grateful to the many invited speakers who have responded positively to this request. Invited papers appear here in their order of presentation during the week beginning 28 June 2004; this ordering provides an echo of the character of the conference, as it was experienced by those who took part. Programme Committee 2004 Professor Richard Dendy UKAEA Culham Division, UK Chairman and guest editor Dr Jean-Luc Dorier Centre de Recherches en Physique des Plasmas, Lausanne, Switzerland (Co-ordinator of dusty plasmas and guest editor) Professor Jürgen Meyer-ter-Vehn Max-Planck-Institut für Quantenoptik, Garching, Germany (Co-ordinator of laser-plasma interaction and beam plasma physics and guest editor) Dr Peter Norreys Rutherford Appleton Laboratory, Chilton, UK (Scientific Secretary and guest editor) Dr Emilia R Solano CIEMAT Laboratorio Nacional de Fusión, Madrid, Spain ( Co-ordinator of magnetic confinement fusion and guest editor) Dr Shalom Eliezer Soreq Nuclear Research Centre, Israel Dr Wim Goedheer FOM-Instituut voor Plasmafysica, Rijnhuizen, Netherlands Professor Henry Hutchinson Rutherford Appleton Laboratory, Chilton, UK Professor John Kirk Max-Planck-Institut für Kernphysik, Heidelberg, Germany Dr Raymond Koch Ecole Royale Militaire/Koninklijke Militaire School, Brussels, Belgium Professor Gerrit Kroesen Technische Universiteit Eindhoven, Netherlands Dr Martin Lampe Naval Research Laboratory, Washington DC, USA Dr Jo Lister Centre de Recherches en Physique des Plasmas, Lausanne, Switzerland Dr Paola Mantica Istituto di Fisica del Plasma, Milan, Italy Professor Tito Mendonca Instituto Superior Tecnico, Lisbon, Portugal Dr Patrick Mora École Polytechnique, Palaiseau, France Professor Lennart Stenflo Umeå Universitet, Sweden Professor Paul Thomas CEA Cadarache, Saint-Paul-lez-Durance, France Professor Friedrich Wagner Max-Planck-Institut fr Plasmaphysik, Garching, Germany Professor Hannspeter Winter Technische Universität Wien, Austria

Preface: Challenges for Catalytic Exhaust Aftertreatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nova, Isabella; Epling, Bill; Peden, Charles HF

2014-03-31

This special issue of Catalysis Today continues the tradition established since the 18th NAM in Cancun, 2003, of publishing the highlights coming from these catalytic after-treatment technologies sessions, where this volume contains 18 papers based on oral and poster presentations of the 23rd NAM, 2013. The guest editors would like to thank all of the catalyst scientists and engineers who presented in the "Emission control" sessions, and especially the authors who contributed to this special issue of Catalysis Today.

Honorary and ghost authorship in nursing publications.

PubMed

Kennedy, Maureen Shawn; Barnsteiner, Jane; Daly, John

2014-11-01

The purposes of this study were to (a) assess the prevalence of articles with honorary authors and ghost authors in 10 leading peer-reviewed nursing journals between 2010 to 2012; (b) compare the results to prevalence reported by authors of articles published in high-impact medical journals; and (c) assess the experiences of editors in the International Academy of Nursing Editors with honorary and guest authorship. Corresponding authors of articles published in 10 nursing journals between 2010 and 2012 were invited to complete an online survey about the contributions of coauthors to see if the International Committee of Medical Journal Editors () criteria for authorship were met. Additionally, members of the International Academy of Nursing Editors were invited to complete an online survey about their experiences in identifying honorary or ghost authors in articles submitted for publication. The prevalence of articles published in 10 nursing journals with honorary authors was 42%, and the prevalence of ghost authorship was 27.6%. This is a greater prevalence than what has been reported among medical journals. Qualitative data yielded five themes: lack of awareness around the rules for authorship; acknowledged need for debate, discussion, and promotion of ethical practice; knowingly tolerating, and sometimes deliberately promoting, transgressions in practice; power relations and expectations; and avoiding scrutiny. Among the 60 respondents to the editor survey, 22 (36.7%) reported identifying honorary authors and 13 (21.7%) reported ghost authors among papers submitted to their publications. Inappropriate authorship is a significant problem among scholarly nursing publications. If nursing scholarship is to maintain integrity and be considered trustworthy, and if publications are to be a factor in professional advancement, editors, nursing leaders, and faculty need to disseminate and adhere to ethical authorship practices. © 2014 Sigma Theta Tau International.

EDITORIAL: Introduction to the special issue on electromagnetic inverse problems: emerging methods and novel applications Introduction to the special issue on electromagnetic inverse problems: emerging methods and novel applications

NASA Astrophysics Data System (ADS)

Dorn, O.; Lesselier, D.

2010-07-01

Inverse problems in electromagnetics have a long history and have stimulated exciting research over many decades. New applications and solution methods are still emerging, providing a rich source of challenging topics for further investigation. The purpose of this special issue is to combine descriptions of several such developments that are expected to have the potential to fundamentally fuel new research, and to provide an overview of novel methods and applications for electromagnetic inverse problems. There have been several special sections published in Inverse Problems over the last decade addressing fully, or partly, electromagnetic inverse problems. Examples are: Electromagnetic imaging and inversion of the Earth's subsurface (Guest Editors: D Lesselier and T Habashy) October 2000 Testing inversion algorithms against experimental data (Guest Editors: K Belkebir and M Saillard) December 2001 Electromagnetic and ultrasonic nondestructive evaluation (Guest Editors: D Lesselier and J Bowler) December 2002 Electromagnetic characterization of buried obstacles (Guest Editors: D Lesselier and W C Chew) December 2004 Testing inversion algorithms against experimental data: inhomogeneous targets (Guest Editors: K Belkebir and M Saillard) December 2005 Testing inversion algorithms against experimental data: 3D targets (Guest Editors: A Litman and L Crocco) February 2009 In a certain sense, the current issue can be understood as a continuation of this series of special sections on electromagnetic inverse problems. On the other hand, its focus is intended to be more general than previous ones. Instead of trying to cover a well-defined, somewhat specialized research topic as completely as possible, this issue aims to show the broad range of techniques and applications that are relevant to electromagnetic imaging nowadays, which may serve as a source of inspiration and encouragement for all those entering this active and rapidly developing research area. Also, the construction of this special issue is likely to have been different from preceding ones. In addition to the invitations sent to specific research groups involved in electromagnetic inverse problems, the Guest Editors also solicited recommendations, from a large number of experts, of potential authors who were thereupon encouraged to contribute. Moreover, an open call for contributions was published on the homepage of Inverse Problems in order to attract as wide a scope of contributions as possible. This special issue's attempt at generality might also define its limitations: by no means could this collection of papers be exhaustive or complete, and as Guest Editors we are well aware that many exciting topics and potential contributions will be missing. This, however, also determines its very special flavor: besides addressing electromagnetic inverse problems in a broad sense, there were only a few restrictions on the contributions considered for this section. One requirement was plausible evidence of either novelty or the emergent nature of the technique or application described, judged mainly by the referees, and in some cases by the Guest Editors. The technical quality of the contributions always remained a stringent condition of acceptance, final adjudication (possibly questionable either way, not always positive) being made in most cases once a thorough revision process had been carried out. Therefore, we hope that the final result presented here constitutes an interesting collection of novel ideas and applications, properly refereed and edited, which will find its own readership and which can stimulate significant new research in the topics represented. Overall, as Guest Editors, we feel quite fortunate to have obtained such a strong response to the call for this issue and to have a really wide-ranging collection of high-quality contributions which, indeed, can be read from the first to the last page with sustained enthusiasm. A large number of applications and techniques is represented, overall via 16 contributions with 45 authors in total. This shows, in our opinion, that electromagnetic imaging and inversion remain amongst the most challenging and active research areas in applied inverse problems today. Below, we give a brief overview of the contributions included in this issue, ordered alphabetically by the surname of the leading author. 1. The complexity of handling potential randomness of the source in an inverse scattering problem is not minor, and the literature is far from being replete in this configuration. The contribution by G Bao, S N Chow, P Li and H Zhou, `Numerical solution of an inverse medium scattering problem with a stochastic source', exemplifies how to hybridize Wiener chaos expansion with a recursive linearization method in order to solve the stochastic problem as a set of decoupled deterministic ones. 2. In cases where the forward problem is expensive to evaluate, database methods might become a reliable method of choice, while enabling one to deliver more information on the inversion itself. The contribution by S Bilicz, M Lambert and Sz Gyimóthy, `Kriging-based generation of optimal databases as forward and inverse surrogate models', describes such a technique which uses kriging for constructing an efficient database with the goal of achieving an equidistant distribution of points in the measurement space. 3. Anisotropy remains a considerable challenge in electromagnetic imaging, which is tackled in the contribution by F Cakoni, D Colton, P Monk and J Sun, `The inverse electromagnetic scattering problem for anisotropic media', via the fact that transmission eigenvalues can be retrieved from a far-field scattering pattern, yielding, in particular, lower and upper bounds of the index of refraction of the unknown (dielectric anisotropic) scatterer. 4. So-called subspace optimization methods (SOM) have attracted a lot of interest recently in many fields. The contribution by X Chen, `Subspace-based optimization method for inverse scattering problems with an inhomogeneous background medium', illustrates how to address a realistic situation in which the medium containing the unknown obstacles is not homogeneous, via blending a properly developed SOM with a finite-element approach to the required Green's functions. 5. H Egger, M Hanke, C Schneider, J Schöberl and S Zaglmayr, in their contribution `Adjoint-based sampling methods for electromagnetic scattering', show how to efficiently develop sampling methods without explicit knowledge of the dyadic Green's function once an adjoint problem has been solved at much lower computational cost. This is demonstrated by examples in demanding propagative and diffusive situations. 6. Passive sensor arrays can be employed to image reflectors from ambient noise via proper migration of cross-correlation matrices into their embedding medium. This is investigated, and resolution, in particular, is considered in detail, as a function of the characteristics of the sensor array and those of the noise, in the contribution by J Garnier and G Papanicolaou, `Resolution analysis for imaging with noise'. 7. A direct reconstruction technique based on the conformal mapping theorem is proposed and investigated in depth in the contribution by H Haddar and R Kress, `Conformal mapping and impedance tomography'. This paper expands on previous work, with inclusions in homogeneous media, convergence results, and numerical illustrations. 8. The contribution by T Hohage and S Langer, `Acceleration techniques for regularized Newton methods applied to electromagnetic inverse medium scattering problems', focuses on a spectral preconditioner intended to accelerate regularized Newton methods as employed for the retrieval of a local inhomogeneity in a three-dimensional vector electromagnetic case, while also illustrating the implementation of a Lepskiĭ-type stopping rule outsmarting a traditional discrepancy principle. 9. Geophysical applications are a rich source of practically relevant inverse problems. The contribution by M Li, A Abubakar and T Habashy, `Application of a two-and-a-half dimensional model-based algorithm to crosswell electromagnetic data inversion', deals with a model-based inversion technique for electromagnetic imaging which addresses novel challenges such as multi-physics inversion, and incorporation of prior knowledge, such as in hydrocarbon recovery. 10. Non-stationary inverse problems, considered as a special class of Bayesian inverse problems, are framed via an orthogonal decomposition representation in the contribution by A Lipponen, A Seppänen and J P Kaipio, `Reduced order estimation of nonstationary flows with electrical impedance tomography'. The goal is to simultaneously estimate, from electrical impedance tomography data, certain characteristics of the Navier--Stokes fluid flow model together with time-varying concentration distribution. 11. Non-iterative imaging methods of thin, penetrable cracks, based on asymptotic expansion of the scattering amplitude and analysis of the multi-static response matrix, are discussed in the contribution by W-K Park, `On the imaging of thin dielectric inclusions buried within a half-space', completing, for a shallow burial case at multiple frequencies, the direct imaging of small obstacles (here, along their transverse dimension), MUSIC and non-MUSIC type indicator functions being used for that purpose. 12. The contribution by R Potthast, `A study on orthogonality sampling' envisages quick localization and shaping of obstacles from (portions of) far-field scattering patterns collected at one or more time-harmonic frequencies, via the simple calculation (and summation) of scalar products between those patterns and a test function. This is numerically exemplified for Neumann/Dirichlet boundary conditions and homogeneous/heterogeneous embedding media. 13. The contribution by J D Shea, P Kosmas, B D Van Veen and S C Hagness, `Contrast-enhanced microwave imaging of breast tumors: a computational study using 3D realistic numerical phantoms', aims at microwave medical imaging, namely the early detection of breast cancer. The use of contrast enhancing agents is discussed in detail and a number of reconstructions in three-dimensional geometry of realistic numerical breast phantoms are presented. 14. The contribution by D A Subbarayappa and V Isakov, `Increasing stability of the continuation for the Maxwell system', discusses enhanced log-type stability results for continuation of solutions of the time-harmonic Maxwell system, adding a fresh chapter to the interesting story of the study of the Cauchy problem for PDE. 15. In their contribution, `Recent developments of a monotonicity imaging method for magnetic induction tomography in the small skin-depth regime', A Tamburrino, S Ventre and G Rubinacci extend the recently developed monotonicity method toward the application of magnetic induction tomography in order to map surface-breaking defects affecting a damaged metal component. 16. The contribution by F Viani, P Rocca, M Benedetti, G Oliveri and A Massa, `Electromagnetic passive localization and tracking of moving targets in a WSN-infrastructured environment', contributes to what could still be seen as a niche problem, yet both useful in terms of applications, e.g., security, and challenging in terms of methodologies and experiments, in particular, in view of the complexity of environments in which this endeavor is to take place and the variability of the wireless sensor networks employed. To conclude, we would like to thank the able and tireless work of Kate Watt and Zoë Crossman, as past and present Publishers of the Journal, on what was definitely a long and exciting journey (sometimes a little discouraging when reports were not arriving, or authors were late, or Guest Editors overwhelmed) that started from a thorough discussion at the `Manchester workshop on electromagnetic inverse problems' held mid-June 2009, between Kate Watt and the Guest Editors. We gratefully acknowledge the fact that W W Symes gave us his full backing to carry out this special issue and that A K Louis completed it successfully. Last, but not least, the staff of Inverse Problems should be thanked, since they work together to make it a premier journal.

BMC Ecology image competition: the winning images

PubMed Central

2013-01-01

BMC Ecology announces the winning entries in its inaugural Ecology Image Competition, open to anyone affiliated with a research institute. The competition, which received more than 200 entries from international researchers at all career levels and a wide variety of scientific disciplines, was looking for striking visual interpretations of ecological processes. In this Editorial, our academic Section Editors and guest judge Dr Yan Wong explain what they found most appealing about their chosen winning entries, and highlight a few of the outstanding images that didn’t quite make it to the top prize. PMID:23517630

The 52nd International Conference on Medicinal Chemistry (RICT 2016) of the French Medicinal Chemistry Society (SCT) Held in Caen (Normandy).

PubMed

Sapi, Janos; Van Hijfte, Luc; Dallemagne, Patrick

2017-06-21

Outstanding Medchem in France: Guest editors Janos Sapi, Luc Van Hjfte, and Patrick Dallemagne look back at the 52 nd International Conference on Medicinal Chemistry (RICT 2016) held in Caen, France. They discuss the history of the French Medicinal Chemistry Society (Société de Chimie Thérapeutique, SCT) and provide highlights of last year's events, including some key presentations now collected in this Special Issue. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

BMC Ecology image competition: the winning images.

PubMed

Harold, Simon; Wong, Yan; Baguette, Michel; Bonsall, Michael B; Clobert, Jean; Royle, Nick J; Settele, Josef

2013-03-22

BMC Ecology announces the winning entries in its inaugural Ecology Image Competition, open to anyone affiliated with a research institute. The competition, which received more than 200 entries from international researchers at all career levels and a wide variety of scientific disciplines, was looking for striking visual interpretations of ecological processes. In this Editorial, our academic Section Editors and guest judge Dr Yan Wong explain what they found most appealing about their chosen winning entries, and highlight a few of the outstanding images that didn't quite make it to the top prize.

Guest Editorial

NASA Astrophysics Data System (ADS)

Saravanan, Padmanapan; Babu, Dhanakotti Rajan; Chelvane, Jeyaramane Arout; Vizhi, Rajasekaran Ezhil

2016-11-01

This special issue of Journal of Magnetism and Magnetic Materials (JMMM) is a collection of selected papers presented at the International Conference on Magnetic Materials and Applications (ICMAGMA-2015), held at VIT University, Vellore, India during December 2 - 4, 2015. The papers were screened and selected for publication after an intensive peer review, with a minimum of two reviewers for every paper. The editors would like to place on record the unstinted support received from over 100 reviewers which culminated in the selection of 49 manuscripts for publication. We take this opportunity to thank everyone for participating in the ICMAGMA-2015.

A network-based method for the identification of putative genes related to infertility.

PubMed

Wang, ShaoPeng; Huang, GuoHua; Hu, Qinghua; Zou, Quan

2016-11-01

Infertility has become one of the major health problems worldwide, with its incidence having risen markedly in recent decades. There is an urgent need to investigate the pathological mechanisms behind infertility and to design effective treatments. However, this is made difficult by the fact that various biological factors have been identified to be related to infertility, including genetic factors. A network-based method was established to identify new genes potentially related to infertility. A network constructed using human protein-protein interactions based on previously validated infertility-related genes enabled the identification of some novel candidate genes. These genes were then filtered by a permutation test and their functional and structural associations with infertility-related genes. Our method identified 23 novel genes, which have strong functional and structural associations with previously validated infertility-related genes. Substantial evidence indicates that the identified genes are strongly related to dysfunction of the four main biological processes of fertility: reproductive development and physiology, gametogenesis, meiosis and recombination, and hormone regulation. The newly discovered genes may provide new directions for investigating infertility. This article is part of a Special Issue entitled "System Genetics" Guest Editor: Dr. Yudong Cai and Dr. Tao Huang. Copyright © 2016 Elsevier B.V. All rights reserved.

Editors' message--Hydrogeology Journal in 2003

USGS Publications Warehouse

Voss, Clifford; Olcott, Perry; Schneider, Robert

2004-01-01

Hydrogeology Journal appeared in six issues containing a total of 710 pages and 48 major articles, including 31 Papers and 14 Reports, as well as some Technical Notes and Book Reviews. The number of submitted manuscripts continues to increase. The final issue of 2003 also contained the annual volume index. Hydrogeology Journal (HJ) is an international forum for hydrogeology and related disciplines and authors in 2003 were from about 28 countries. Articles advanced hydrogeologic science and described hydrogeologic systems in many regions worldwide. These articles focused on a variety of general topics and on studies of hydrogeology in 24 countries: Afghanistan, Algeria, Argentina, Australia, Bangladesh, Belgium, Canada, Chile, China, Denmark, France, India, Italy, Mexico, Netherlands, New Zealand, Nigeria, Norway, Portugal, Russia, South Africa, Switzerland, Turkey, and U.S.A. The Guest Editor of the 2003 HJ theme issue on “Hydromechanics in Geology and Geotechnics”, Ove Stephansson, assembled a valuable collection of technical reviews and research papers from eminent authors on important aspects of the subject area.

Sustainable Chemistry at Sungkyunkwan University.

PubMed

Park, Nam-Gyu

2015-07-20

Special Issue: Sustainable Chemistry at Sungkyunkwan University. Sustainable chemistry is key to the development of efficient renewable energies, which will become more and more important in order to combat global warming. In this Editorial, guest editor Prof. Nam-Gyu Park describes the context of this Special Issue on top-quality research towards sustainability performed at Sungkyunkwan University (SKKU) in Korea. Scientists at SKKU work on, for example, photovoltaic solar cells to generate low-cost electricity, lithium batteries and capacitors to store electricity, piezoelectric nanogenerators, thermoelectric devices, hydrogen generation, and fuel cells. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ferroelectrics Volume 121 Numbers 1-4, 1991. Proceedings of the International Conference on Ferroelectric Liquid Crystals (3rd) Held in Boulder, Colorado on 23-28 June 1991. Part 1

DTIC Science & Technology

1992-01-01

they are part of the proceedings of FLC-91. The Guest Editors would like to thank the sponsors, administrative assistants, and especially all of the...the soft mode in comparison to the high frequency permittivi- ty, which results in rather low sensitivity of the method especially far from Tc The...elastomers6 and especially LC-elastomers * 7,8with Se-phases ’ can be prepared by crosslinking of LC-polymers. These polymers show the ferroelectric modes

PREFACE: 6th International Workshop on Multi-Rate Processes and Hysteresis (MURPHYS2012)

NASA Astrophysics Data System (ADS)

Dimian, Mihai; Rachinskii, Dmitrii

2015-02-01

The International Workshop on Multi-Rate Processes and Hysteresis (MURPHYS) conference series focuses on multiple scale systems, singular perturbation problems, phase transitions and hysteresis phenomena occurring in physical, biological, chemical, economical, engineering and information systems. The 6th edition was hosted by Stefan cel Mare University in the city of Suceava located in the beautiful multicultural land of Bukovina, Romania, from May 21 to 24, 2012. This continued the series of biennial multidisciplinary conferences organized in Cork, Ireland from 2002 to 2008 and in Pécs, Hungary in 2010. The MURPHYS 2012 Workshop brought together more than 50 researchers in hysteresis and multi-scale phenomena from the United State of America, the United Kingdom, France, Germany, Italy, Ireland, Czech Republic, Hungary, Greece, Ukraine, and Romania. Participants shared and discussed new developments of analytical techniques and numerical methods along with a variety of their applications in various areas, including material sciences, electrical and electronics engineering, mechanical engineering and civil structures, biological and eco-systems, economics and finance. The Workshop was sponsored by the European Social Fund through Sectoral Operational Program Human Resources 2007-2013 (PRO-DOCT) and Stefan cel Mare University, Suceava. The Organizing Committee was co-chaired by Mihai Dimian from Stefan cel Mare University, Suceava (Romania), Amalia Ivanyi from the University of Pecs (Hungary), and Dmitrii Rachinskii from the University College Cork (Ireland). All papers published in this volume of Journal of Physics: Conference Series have been peer reviewed through processes administered by the Editors. Reviews were conducted by expert referees to the professional and scientific standards expected of a proceedings journal published by IOP Publishing. The Guest Editors wish to place on record their sincere gratitude to Miss Sarah Toms for the assistance she provided during the publication process. More information about the Workshop can be found at http://www.murphys.usv.ro/ Mihai Dimian and Dmitrii Rachinskii Guest Editors for Journal of Physics: Conference Series Proceedings of the 6th International Workshop on Multi-Rate Processes and Hysteresis

Semi-automated XML markup of biosystematic legacy literature with the GoldenGATE editor.

PubMed

Sautter, Guido; Böhm, Klemens; Agosti, Donat

2007-01-01

Today, digitization of legacy literature is a big issue. This also applies to the domain of biosystematics, where this process has just started. Digitized biosystematics literature requires a very precise and fine grained markup in order to be useful for detailed search, data linkage and mining. However, manual markup on sentence level and below is cumbersome and time consuming. In this paper, we present and evaluate the GoldenGATE editor, which is designed for the special needs of marking up OCR output with XML. It is built in order to support the user in this process as far as possible: Its functionality ranges from easy, intuitive tagging through markup conversion to dynamic binding of configurable plug-ins provided by third parties. Our evaluation shows that marking up an OCR document using GoldenGATE is three to four times faster than with an off-the-shelf XML editor like XML-Spy. Using domain-specific NLP-based plug-ins, these numbers are even higher.

John F. Kennedy, Jr., speaks to invited guests at KSC's HBO premiere 'From the Earth to the Moon.'

NASA Technical Reports Server (NTRS)

1998-01-01

John F. Kennedy, Jr., editor-in-chief of George Magazine, greets invited guests at the Home Box Office (HBO) and Imagine Entertainment premiere of the 12-part miniseries 'From the Earth to the Moon' at Kennedy Space Center (KSC). The series was filmed in part on location at KSC and dramatizes the human aspects of NASA's efforts to launch Americans to the Moon. The miniseries highlights NASA's Apollo program and the events leading up to and including the six successful missions to the Moon. A special 500- seat theater was constructed next to the Apollo/Saturn V Center for the KSC premiere showing. Speakers at the event included KSC Director Roy Bridges (at right); Jeff Bewkes, chairman and CEO for HBO; and John F. Kennedy, Jr. Also attending the event, which featured the episode entitled '1968,' were Buzz Aldrin, Apollo 11 astronaut, and Al Worden, Apollo 15 astronaut. The original miniseries event, created for HBO by actor Tom Hanks and Imagine Entertainment, will premiere on HBO beginning April 5, 1998.

PREFACE: 6th International Conference on Inverse Problems in Engineering: Theory and Practice

NASA Astrophysics Data System (ADS)

Bonnet, Marc

2008-07-01

The 6th International Conference on Inverse Problems in Engineering: Theory and Practice (ICIPE 2008) belongs to a successful series of conferences held up to now following a three-year cycle. Previous conferences took place in Palm Coast, Florida, USA (1993), Le Croisic, France (1996), Port Ludlow, Washington, USA (1999), Angra dos Reis, Brazil (2002), and Cambridge, UK (2005). The conference has its roots on the informal seminars organized by Professor J V Beck at Michigan State University, which were initiated in 1987. The organization of this Conference, which took place in Dourdan (Paris) France, 15-19 June 2008, was made possible through a joint effort by four research departments from four different universities: LEMTA (Laboratoire de Mécanique Théorique et Appliquée, Nancy-Université) LMS (Laboratoire de Mécanique des Solides, Ecole Polytechnique, Paris) LMAC (Laboratoire de Mathématiques Appliquées, UTC Compiègne) LTN (Laboratoire de Thermocinétique, Université de Nantes) It received support from three organizations: SFT (Société Française de Thermique: French Heat Transfer Association) ACSM (Association Calcul de Structures et Simulation : Computational Structural Mechanics Association) GdR Ondes - CNRS (`Waves' Network, French National Center for Scientific Research) The objective of the conference was to provide the opportunity for interaction and cross-fertilization between designers of inverse methods and practitioners. The delegates came from very different fields, such as applied mathematics, heat transfer, solid mechanics, tomography.... Consequently the sessions were organised along mostly methodological topics in order to facilitate interaction among participants who might not meet otherwise. The present proceedings, published in the Journal of Physics: Conference Series, gathers the four plenary invited lectures and the full-length versions of 103 presentations. The latter have been reviewed by the scientific committee (see composition below) and additional reviewers we wish to thank here for their kind help. Among the 194 abstracts initially received, 121 communications have been accepted for presentation, 109 of which having been actually presented (oral or poster form) at the conference, as well as 4 invited plenary lectures. The presentations for each session topic, and the geographic distribution of the delegates, are given in tables below. It is our hope that ICIPE 2008 has contributed to maintaining existing interactions and fostering new ones. We take this opportunity to thank all the authors for their valuable contributions and the excellent atmosphere of the meeting. The next ICIPE conference is planned to take place in the USA in May 2010. It will be organized by Alain J Kassab of the University of Central Florida (UCF) in Orlando, and will take place on the UCF campus. Further details regarding ICIPE 2010 conference will be made available on the ICIPE 2008 website during the fall of 2008, and will also be disseminated directly to individuals having attended previous ICIPE meetings. The editorial committee of ICIPE 2008, Marc Bonnet - Guest Editor Stéphane André - Associate guest editor Andrei Constantinescu - Associate guest editor Abdellatif El Badia - Associate guest editor Yvon Jarny - Associate guest editor Denis Maillet - Associate guest editor Scientific Committee: ICIPE 2008 ChairmanM. Bonnet (Ecole Polytech., France) SecretariesS. André (Nancy-U., France) A. Constantinescu (Ecole Polytech., France) Honorary membersO. M. Alifanov (Moscow Aviation Institute, Russia) J. V. Beck (Mich. State U., USA) Members G. Alessandrini (U. Trieste, Italy)R. Kress (U. Goettingen, Germany) J. S. Alves (Inst. Sup. Tecnico, Portugal) S. Kubo (Osaka U., Japan) S. Andrieux (EDF, France) K. J. Langenberg (U. Kassel, Germany) S. Arridge (U. College, London, UK) C. Leniliot (U. Provence, France) M. Azaiez (U. Bordeaux, France) D. Lesnic (U. Leeds, UK) J.-C. Batsale (U. Bordeaux, France) W. Lionheart (U. Manchester, UK) M. Bertero (U. Genova, Italy) D. Maillet (Nancy-U., France) J. Blum (U. Nice, France) W. Marquardt (RWTH Aachen, Germany) H. D. Bui (Ecole Polytech., France) P. A. Martin (Col. School of Mines, USA) T. Burczynski (Silesian Tech. U., Gliwice, Poland) A. Michalak (U. of Michigan, USA) G. Dassios (U. Patras, Greece) A. Nenarokomov (Moscow Aviation Inst., Russia) D. Delaunay (U. Nantes, France) D. Murio (U. Cincinnati, USA) H. Dinh Nho (Hanoi Inst. Maths, Vietnam) A. J. Nowak (Silesian Tech. U. Gliwice, Poland) A. El Badia (U. Tech. Compiègne, France) H. R. B. Orlande (Federal U. Rio de Janeiro, Brazil) J. Frankel (U. Tennessee, USA) L. Päivärinta (U. Helsinki, Finland) O. Ghattas (Carnegie Mellon U., USA) D. Petit (U. Poitiers, France) B. Guzina (U. Minnesota, USA) L. Pronzato (U. Nice, France) A. Hasanov (Kocaeli U., Turkey) M. Prud'homme (Ecole Polytech. Montréal, Canada) F. Hild (ENS Cachan, France) O. Scherzer (U. Innsbruck, Austria) C.-H. Huang (National Cheng Kung U., Taiwan) V. Shutyaev (Inst. Num. Maths, Russia) M. Ikehata (Gunma U., Japan) A. J. Silva Neto (U. Estado Rio de Janeiro, Brazil) M. Jaoua (Ecole Nat. Ingé. Tunis, Tunisia) V. Steffen Jr (U. Federal Uberlandia, Brazil) Y. Jarny (U. Nantes, France) G. Uhlmann (U. Washington, USA) S. Kabanikhin (Sobolev Inst. Maths., Russia) K. A. Woodbury (U. Alabama, USA) J. Kaipio (U. Kuopio, Finland) A. Yagola (Moscow State U., Russia) Kyung Youn Kim (Cheju National U., South Korea) E. Zuazua (U. Complutense Madrid, Spain) Additional Reviewers H. Ammari (ESPCI and Ecole Polytech., France) Y. Favennec (U. Poitiers, France) S. Avril (Ecole Mines St. Etienne, France) O. Fudym (Ecole Mines Albi, France) G. Bal (U. Columbia, USA) M. Girault (U. Poitiers, France) J.-L. Battaglia (U. Bordeaux, France) F. Hemez (Los Alamos Natl. Lab., USA) F. Bauer (Johannes Kepler U., Linz, Austria) M. Janicki (RICAM, Linz, Austria & T.U. Lodz, Poland) C. Bissieux (U. Reims, France) N. Laraqi (U. Paris X, France) F. Ben Belgacem (U. Tech. Compiègne, France) P. Le Masson (U. Bretagne Sud, Lorient, France) L. Bourgeois (ENSTA, Paris, France) D. Lemonnier (U. Poitiers, France) M. Burger (U. Münster, Germany) A. Louis (U. Saarbrücken, Germany) F. Cakoni (U. Delaware, USA) C. Moyne (Nancy-U., France) S. Chaabane (ENIT, Tunisia) B. Rémy (Nancy-U., France) L. Cordier (U. Poitiers, France) J.-J. Serra (DGA, Odeillo, France) A. Degiovanni (Nancy-U., France) D. Stemmelen (Nancy-U., France)

Desert Dust Properties, Modelling, and Monitoring

NASA Technical Reports Server (NTRS)

Kaskaoutis, Dimitris G.; Kahn, Ralph A.; Gupta, Pawan; Jayaraman, Achuthan; Bartzokas, Aristides

2013-01-01

This paper is just the three-page introduction to a Special Issue of Advances in Meteorology focusing on desert dust. It provides a paragraph each on 13 accepted papers, most relating to the used of satellite data to assess attributes or distribution of airborne desert dust. As guest Associate Editors of this issue, we organized the papers into a systematic whole, beginning with large-scale transport and seasonal behavior, then to regional dust transport, transport history, and climate impacts, first in the Mediterranean region, then India and central Asia, and finally focusing on transport model assessment and the use of lidar as a technique to constrain dust spatial-temporal distribution.

Club health: global perspectives, new directions.

PubMed

Measham, Fiona; Anderson, Tammy; Hadfield, Phil

2009-01-01

This editorial presents the views of the guest editors of this collection in summarising some of the general themes arising from a selection of papers presented at the 2008 Club Health Conference in Ibiza, Spain. Particular emphasis is placed upon the value of comparative approaches to club studies, youth culture and substance use so that researchers, policy-makers, and practitioners can gain new understanding of the interplay of local and global factors which shape club cultures, nightlife scenes, and individual lifestyles. By contextualizing the studies in this volume, the editorial outlines important themes and issues which will help promote Club Studies as an interdisciplinary field of endeavour well into the future.

Perovskite Solar Cells and Devices at EPFL Valais Wallis.

PubMed

Nazeeruddin, Mohammad Khaja

2016-09-22

Stability required! Perovskite solar cells have emerged as one of the most exciting fields of research, owing to their impressive rise in power conversion efficiency surpassing 22% in six short years of research. Current research is focused on ways to improve stability of perovskite-based devices, a key characteristic required to bring this technology from the lab into the market. In this Editorial, guest editor Prof. Mohammad Khaja Nazeeruddin describes the context of this Special Issue, and summarizes the work being performed in his research group toward this low-cost near-future photovoltaic technology. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Controlled-release formulation of antihistamine based on cetirizine zinc-layered hydroxide nanocomposites and its effect on histamine release from basophilic leukemia (RBL-2H3) cells

PubMed Central

Hasan, Samer; Ali, Hussein Al; Al-Qubaisi, Mothanna; Hussein, Mohd Zobir; Ismail, Maznah; Zainal, Zulkarnain; Hakim, Muhammad Nazrul

2012-01-01

A controlled-release formulation of an antihistamine, cetirizine, was synthesized using zinc-layered hydroxide as the host and cetirizine as the guest. The resulting well-ordered nanolayered structure, a cetirizine nanocomposite “CETN,” had a basal spacing of 33.9 Å, averaged from six harmonics observed from X-ray diffraction. The guest, cetirizine, was arranged in a horizontal bilayer between the zinc-layered hydroxide (ZLH) inorganic interlayers. Fourier transform infrared spectroscopy studies indicated that the intercalation takes place without major change in the structure of the guest and that the thermal stability of the guest in the nanocomposites is markedly enhanced. The loading of the guest in the nanocomposites was estimated to be about 49.4% (w/w). The release study showed that about 96% of the guest could be released in 80 hours by phosphate buffer solution at pH 7.4 compared with about 97% in 73 hours at pH 4.8. It was found that release was governed by pseudo-second order kinetics. Release of histamine from rat basophilic leukemia cells was found to be more sensitive to the intercalated cetirizine in the CETN compared with its free counterpart, with inhibition of 56% and 29%, respectively, at 62.5 ng/mL. The cytotoxicity assay toward Chang liver cells line show the IC50 for CETN and ZLH are 617 and 670 μg/mL, respectively. PMID:22848164

From Performance to Decision Processes in 33 Years: A History of Organizational Behavior and Human Decision Processes under James C. Naylor.

PubMed

Weber

1998-12-01

For the past 33 years, Organizational Behavior and Human Decision Processes has thrived under a single editor. That editor, James C. Naylor, is retiring from his long stewardship. This article chronicles the course of the journal under Jim's direction and marks some of the accomplishments and changes over the past three decades that go to his credit. Copyright 1998 Academic Press.

Transmission in Optically Transparent Core Networks

NASA Astrophysics Data System (ADS)

Kilper, Dan; Jensen, Rich; Petermann, Klaus; Karasek, Miroslav

2007-03-01

Scope of Submission

• Optically transparent system design issues, transmission experiments, and field trials
• Optically transparent network architectures and topologies
• Dispersion management in reconfigurable and mesh systems
• Optically transparent network device and sub-system performance, design, characterization and control, including: amplifiers, transmitters, receivers, switches, add/drop multiplexers
• Transient and fault management
• Physical layer system control
• Monitoring and compensation to support transparency
• Wavelength routing and planning as they relate to physical layer transmission
• Hardware cost and configuration optimization for optically transparent networks

Endothelial LRP1 - A Potential Target for the Treatment of Alzheimer's Disease : Theme: Drug Discovery, Development and Delivery in Alzheimer's Disease Guest Editor: Davide Brambilla.

PubMed

Storck, Steffen E; Pietrzik, Claus U

2017-12-01

The accumulation of the neurotoxin beta-amyloid (Aβ) is a major hallmark in Alzheimer's disease (AD). Aβ homeostasis in the brain is governed by its production and various clearance mechanisms. Both pathways are influenced by the ubiquitously expressed low-density lipoprotein receptor-related protein 1 (LRP1). In cerebral blood vessels, LRP1 is an important mediator for the rapid removal of Aβ from brain via transport across the blood-brain barrier (BBB). Here, we summarize recent findings on LRP1 function and discuss the targeting of LRP1 as a modulator for AD pathology and drug delivery into the brain.

Controlled vocabularies and ontologies in proteomics: Overview, principles and practice☆

PubMed Central

Mayer, Gerhard; Jones, Andrew R.; Binz, Pierre-Alain; Deutsch, Eric W.; Orchard, Sandra; Montecchi-Palazzi, Luisa; Vizcaíno, Juan Antonio; Hermjakob, Henning; Oveillero, David; Julian, Randall; Stephan, Christian; Meyer, Helmut E.; Eisenacher, Martin

2014-01-01

This paper focuses on the use of controlled vocabularies (CVs) and ontologies especially in the area of proteomics, primarily related to the work of the Proteomics Standards Initiative (PSI). It describes the relevant proteomics standard formats and the ontologies used within them. Software and tools for working with these ontology files are also discussed. The article also examines the “mapping files” used to ensure correct controlled vocabulary terms that are placed within PSI standards and the fulfillment of the MIAPE (Minimum Information about a Proteomics Experiment) requirements. This article is part of a Special Issue entitled: Computational Proteomics in the Post-Identification Era. Guest Editors: Martin Eisenacher and Christian Stephan. PMID:23429179

Violence, health, and the 2030 agenda: Merging evidence and implementation.

PubMed

Lee, Bandy X; Donnelly, Peter D; Cohen, Larry; Garg, Shikha

2016-09-01

The Guest Editors introduce the Special Issue for the Journal of Public Health Policy on violence, health, and the 2030 Agenda. Emphasizing the importance of collaboration between scholars and practitioners, they outline the process of jointly imagining and designing the next generation of violence prevention strategies. They include representative works of members of the World Health Organization (WHO) Violence Prevention Alliance (VPA), including the World Bank, the United States Centers for Disease Control and Prevention, Prevention Institute, the Danish Institute Against Torture, the University of Cambridge Institute of Criminology, the London School of Hygiene and Tropical Medicine Gender Violence and Health Centre, and the Yale University Law and Psychiatry Division, among others.

50th Anniversary First American to Orbit Earth

NASA Image and Video Library

2012-02-20

Sen. John Glenn speaks to guest at NASA's Future Forum at Ohio State University on Monday, Feb. 20, 2012, in Columbus, Ohio. Today marks the 50th anniversary of Glenn's historic flight. Glenn was the first American to orbit Earth. Photo Credit: (NASA/Bill Ingalls)

50th Anniversary First American to Orbit Earth

NASA Image and Video Library

2012-02-20

Sen. John Glenn, left, and NASA Administrator Charles Bolden speak to guest at NASA's Future Forum at Ohio State University on Monday, Feb. 20, 2012, in Columbus, Ohio. Today marks the 50th anniversary of Glenn's historic flight. Glenn was the first American to orbit Earth. Photo Credit: (NASA/Bill Ingalls)

Resisting Exile in the "Land of the Free:" Indigenous Groundwork at Colonial Intersections

ERIC Educational Resources Information Center

Clark, D. Anthony Tyeeme; Powell, Malea

2008-01-01

The guest editorialists argue in this introduction that the phrase "indigenous groundwork at colonial intersections" identifies versatile cultural, historical, and social processes that fundamentally--at times devastatingly--shape relations among differently situated life forms on this planet. In short, Indigenous groundwork marks Indigenous…

CALL FOR PAPERS: Special Issue on `Geometric Numerical Integration of Differential Equations'

NASA Astrophysics Data System (ADS)

Quispel, G. R. W.; McLachlan, R. I.

2005-02-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and General entitled `Geometric Numerical Integration of Differential Equations'. This issue should be a repository for high quality original work. We are interested in having the topic interpreted broadly, that is, to include contributions dealing with symplectic or multisymplectic integration; volume-preserving integration; symmetry-preserving integration; integrators that preserve first integrals, Lyapunov functions, or dissipation; exponential integrators; integrators for highly oscillatory systems; Lie-group integrators, etc. Papers on geometric integration of both ODEs and PDEs will be considered, as well as application to molecular-scale integration, celestial mechanics, particle accelerators, fluid flows, population models, epidemiological models and/or any other areas of science. We believe that this issue is timely, and hope that it will stimulate further development of this new and exciting field. The Editorial Board has invited G R W Quispel and R I McLachlan to serve as Guest Editors for the special issue. Their criteria for acceptance of contributions are the following: • The subject of the paper should relate to geometric numerical integration in the sense described above. • Contributions will be refereed and processed according to the usual procedure of the journal. • Papers should be original; reviews of a work published elsewhere will not be accepted. The guidelines for the preparation of contributions are as follows: • The DEADLINE for submission of contributions is 1 September 2005. This deadline will allow the special issue to appear in late 2005 or early 2006. • There is a strict page limit of 16 printed pages (approximately 9600 words) per contribution. For papers exceeding this limit, the Guest Editors reserve the right to request a reduction in length. Further advice on publishing your work in Journal of Physics A: Mathematical and General may be found at www.iop.org/Journals/jphysa. • Contributions to the special issue should if possible be submitted electronically by web upload at {www.iop.org/Journals/jphysa or by e-mail to jphysa@iop.org, quoting `JPhysA Special Issue—Geometric Integration'. Submissions should ideally be in standard LaTeX form; we are, however, able to accept most formats including Microsoft Word. Please see the web site for further information on electronic submissions. • Authors unable to submit electronically may send hard copy contributions to: Publishing Administrators, Journal of Physics A, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK, enclosing the electronic code on floppy disk if available and quoting `JPhysA Special Issue—Geometric Integration'. • All contributions should be accompanied by a read-me file or covering letter giving the postal and e-mail addresses for correspondence. The Publishing Office should be notified of any subsequent change of address. This special issue will be published in the paper and online version of the journal. The corresponding author of each contribution will receive a complimentary copy of the issue. G R W Quispel and R I McLachlan Guest Editors

Guest editors' introduction to the special section on information technology and evidence implementation.

PubMed

Abernethy, Amy P; Hesse, Bradford W

2011-03-01

Healthcare is experiencing a transformation-perhaps as significant as the publication of the first randomized controlled trial-in the ways in which basic discovery is translated into effective practice. The change is being precipitated by efforts to undergird the healthcare industry with the same transformational capacities from information technology as is afforded to other sectors in the economy. Although the transformation has been slow in materializing, change is expected to accelerate under the stimulating influence of the Health Information Technology for Economic and Clinical Health Act of 2009 and the Patient Protection and Affordable Care Act of 2010. As the changes ripple throughout the healthcare sector, two aspects of medical care in the twenty-first century are expected to rise in importance: data and behavior. Each of the articles within this inaugural issue of Translational Behavioral Medicine has been selected to illustrate treatment of these two assets in one way or another. The editors hope this first issue will serve as a vanguard illustration for how behavioral scientists can be included as integral members of the design team in creating a new platform for evidence implementation in the USA and abroad.

MS Wisoff moves stowage item through transfer tunnel

NASA Image and Video Library

1997-01-12

STS081-E-05100 (12 Jan. 1997) --- Astronaut Peter J. K. (Jeff) Wisoff, mission specialist, carries a stowage drawer from the middeck of the Space Shuttle Atlantis' crew cabin through a connective tunnel into the Spacehab Double Module (DM). In a few days, Wisoff and his five crew mates are scheduled to dock with Russia's Mir Space Station and pick up John E. Blaha, NASA astronaut who has been serving as a cosmonaut guest researcher since September, 1996. Astronaut Jerry M. Linenger will replace Blaha onboard Mir and the transfer will mark the second such direct exchange of cosmonaut guest researchers, though Linenger will be the fourth United States astronaut to spend a lengthy stay on Mir.

Proceedings Papers of the AFSC (Air Force Systems Command) Avionics Standardization Conference (2nd) Held at Dayton, Ohio on 30 November-2 December 1982. Volume 1.

DTIC Science & Technology

1982-11-01

Avionic Systems Integration Facilities, Mark van den Broek 1113 and Paul M. Vicen, AFLC/LOE Planning of Operational Software Implementation Tool...classified as software tools, including: * o" Operating System " Language Processors (compilers, assem’blers, link editors) o Source Editors " Debug Systems ...o Data Base Systems o Utilities o Etc . This talk addresses itself to the current set of tools provided JOVIAL iJ73 1750A application programmners by

Genetics Home Reference: 16p12.2 microdeletion

MedlinePlus

... Bean LJH, Bird TD, Ledbetter N, Mefford HC, Smith RJH, Stephens K, editors. GeneReviews® [Internet]. Seattle (WA): ... Mark PR, Dickerson J, Garg BP, Ellingwood SA, Smith R, Banks VC, Smith W, McDonald MT, Hoo ...

Editorial.

PubMed

Simeonov, Plamen L; Rosen, Steven M; Gare, Arran; Noble, Denis

2015-12-01

Preparing this ambitious Special Issue has challenged everyone involved: authors, reviewers, and guest editors. The editors solicited contributions from many leading figures in a broad array of scientific and philosophical disciplines, with emphasis on phenomenological approaches to philosophy (see Section I). The motivating force was the conviction that if we could find a viable bridge for the gap between the "two cultures"(1) of science and philosophy, fundamental problems in each camp could be addressed more fruitfully than ever before and a new kind of science be born. We believe the unprecedented cross-fertilization of ideas from this initiative may furnish seeds from which that new, better integrated, and more effective approach to science may arise. This Special Issue consists of forty papers. For each one, multiple reviewers were solicited, with at least one reviewer from each "culture" (a scientist and a philosopher). In many cases, several rounds of revision were carried out. Needless to say, this required great patience and dedication of all participants. The editors gratefully acknowledge the contributions of our authors, and of our anonymous reviewers, who worked long and hard on the papers we sent them with no compensation for their efforts. We also wish to thank the Elsevier editorial and production team for the support they gave us in bringing this project to fruition. We would now like to offer a synoptic overview of the Special Issue, proceeding section by section and paper by paper. Our hope is that the reader will find this unique effort to marry science and philosophy both meaningful and enjoyable. Copyright © 2015. Published by Elsevier Ltd.

Learning's Professional Reading for Teachers.

ERIC Educational Resources Information Center

Ohanian, Susan

1982-01-01

A "Learning" magazine editor recommends five books for teachers: (1) "Hunger of Memory" (Richard Rodriguez); (2) "Cushla and Her Books" (Dorothy Butler); (3) "Uncivil Liberties" (Calvin Trillin); (4) "Selected Letters of James Thurber"; and (5) "The Selected Letters of Mark Twain." A…

EDITORIAL: New Editor-in-Chief for Nanotechnology New Editor-in-Chief for Nanotechnology

NASA Astrophysics Data System (ADS)

Couzin, Nina

2009-01-01

Nanotechnology is proud to announce the appointment of Professor Mark Reed, Yale University, as the new Editor-in-Chief from January 2009. Mark Reed holds the Harold Hodgkinson Chair of Engineering and Applied Science at Yale University. He has made significant contributions in the areas of quantum dots, electronic transport in nanoscale and mesoscopic systems, artificially structured materials and devices, and molecular electronics. Professor Reed has been associated with the journal as an Editorial Board member for a number of years and we are delighted that he has agreed to take on the scientific leadership of the journal in its 20th year. We also take the opportunity to thank Professor Mark Welland, Cambridge University, for his work as Editor-in-Chief since 2001, and for presiding over the re-launch and remarkable growth of the journal since then. Nanotechnology is unique in that it was the first peer-reviewed journal in the area of nanoscience, the first issue appearing in 1990. Since then it has established a distinguished publication record and has become a leading journal covering all aspects of nanoscale science and technology, as well as specializing in in-depth, comprehensive articles not seen in letter format journals. Published weekly and featuring subject sections, the journal is truly multidisciplinary in nature and is an excellent medium to quickly deliver your research results to readers worldwide. Nanotechnology is proud to be offering some of the fastest publication times around (less than three months on average from receipt to online publication). We offer free online access to all published papers for 30 days, ensuring that anyone with access to the internet will be able to read your paper. We were also the first journal to give our authors the opportunity to communicate their research to a wider audience through nanotechweb.org and other IOP websites. See the journal's homepage at www.iop.org/Journals/nano for more details. We are looking forward to further development of the journal as a forum for high-quality international research at the forefront of nanoscale science and technology under the scientific leadership of Professor Mark Reed and the eminent Editorial Board. This, together with the innovative publishing practises offered by IOP Publishing, will re-affirm the journal as the premier publication in the area, and indispensable reading for you and your colleagues in the years to come.

50 CFR 100.28 - Subsistence taking of shellfish.

Code of Federal Regulations, 2010 CFR

2010-10-01

... Federally-qualified subsistence user; (ii) The gear has been marked with the client's or guest's name and... March 15; (B) The daily harvest and possession limit is 5 male Tanner crabs; (C) Only male Tanner crabs... boundaries of Womens Bay, Gibson Cove, and an area defined by a line1/2mile on either side of the mouth of...

36 CFR 242.28 - Subsistence taking of shellfish.

Code of Federal Regulations, 2010 CFR

2010-07-01

... subsistence user; (ii) The gear has been marked with the client's or guest's name and address; and (iii) The... Tanner crab: (A) Male Tanner crab may be taken only from July 15 through March 15; (B) The daily harvest...) The waters of the Pacific Ocean enclosed by the boundaries of Womens Bay, Gibson Cove, and an area...

Primary Premier for Belfast

ERIC Educational Resources Information Center

McAlister, Peter

2009-01-01

The author talks about the Association for Science Education (ASE) Primary Science Committee's (PSC) March 2009 meeting which was held in Belfast as guests of ASE Northern Ireland. To mark the auspicious occasion of a body that usually meets four times a year in the Hatfield HQ crossing the Irish Sea to be hosted by its Celtic cousins, a Lord…

The Delicate Balance of Preorganisation and Adaptability in Multiply Bonded Host-Guest Complexes.

PubMed

von Krbek, Larissa K S; Achazi, Andreas J; Schoder, Stefan; Gaedke, Marius; Biberger, Tobias; Paulus, Beate; Schalley, Christoph A

2017-02-24

Rigidity and preorganisation are believed to be required for high affinity in multiply bonded supramolecular complexes as they help reduce the entropic penalty of the binding event. This comes at the price that such rigid complexes are sensitive to small geometric mismatches. In marked contrast, nature uses more flexible building blocks. Thus, one might consider putting the rigidity/high-affinity notion to the test. Multivalent crown/ammonium complexes are ideal for this purpose as the monovalent interaction is well understood. A series of divalent complexes with different spacer lengths and rigidities has thus been analysed to correlate chelate cooperativities and spacer properties. Too long spacers reduce chelate cooperativity compared to exactly matching ones. However, in contrast to expectation, flexible guests bind with chelate cooperativities clearly exceeding those of rigid structures. Flexible spacers adapt to small geometric host-guest mismatches. Spacer-spacer interactions help overcome the entropic penalty of conformational fixation during binding and a delicate balance of preorganisation and adaptability is at play in multivalent complexes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Special Section: ;Microbial fuel cells: From fundamentals to applications;: Guest Editors' note

NASA Astrophysics Data System (ADS)

Santoro, Carlo; Arbizzani, Catia; Erable, Benjamin; Ieropoulos, Ioannis

2017-07-01

Water scarcity and production of non-renewable energy are among the most serious challenges faced by humankind at present. Water-related problems such as insufficient freshwater for drinking or irrigation or, even worse, unavailability of freshwater exist in many parts of the world. Over a billion people lack access to clean water, and approximately two million people die every year because of inadequate water sanitation. Fossil fuel combustion has also become problematic because of the depletion of fossil fuels, which are finite energy sources. This together with the emissions of greenhouse gases has increased the CO2 concentration in atmosphere to an unprecedented level of >400 ppm. Therefore, it is of paramount importance to identify new renewable energy sources and more efficient ways of energy consumption and hybridization with existing technologies.

CALL FOR PAPERS: Special Issue on `Singular Interactions in Quantum Mechanics: Solvable Models'

NASA Astrophysics Data System (ADS)

Dell'Antonio, G.; Exner, P.; Geyler, V.

2004-07-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and General entitled `Singular Interactions in Quantum Mechanics: Solvable Models'. This issue should be a repository for high quality original work. We are interested in having the topic interpreted broadly, that is, to include contributions dealing with point-interaction models, one- and many-body, quantum graphs, including graph-like structures coupling different dimensions, interactions supported by curves, manifolds, and more complicated sets, random and nonlinear couplings, etc., as well as approximations helping us to understand the meaning of singular couplings and applications of such models on different parts of quantum mechanics. We believe that when the second printing of the `bible' of the field, the book Solvable Models in Quantum Mechanics by S Albeverio, F Gesztesy, the late R Høegh-Krohn and H Holden, appears it is the right moment to review new developments in this area, with the hope of stimulating further development of these extremely useful techniques. The Editorial Board has invited G Dell'Antonio, P Exner and V Geyler to serve as Guest Editors for the special issue. Their criteria for acceptance of contributions are as follows: bullet The subject of the paper should relate to singular interactions in quantum mechanics in the sense described above. bullet Contributions will be refereed and processed according to the usual procedure of the journal. bullet Papers should be original; reviews of a work published elsewhere will not be accepted. The guidelines for the preparation of contributions are as follows: bullet The DEADLINE for submission of contributions is 31 October 2004. This deadline will allow the special issue to appear in about April 2005. bullet There is a nominal page limit of 15 printed pages (approximately 9000 words) per contribution. Papers exceeding these limits may be accepted at the discretion of the Guest Editors. Further advice on publishing your work in Journal of Physics A: Mathematical and General may be found at www.iop.org/Journals/jphysa. bullet Contributions to the Special Issue should if possible be submitted electronically by web upload at {www.iop.org/Journals/jphysa or by e-mail to jphysa@iop.org, quoting `JPhysA Special Issue-Quantum Mechanics: Solvable Models'. Submissions should ideally be in standard LaTeX form; we are, however, able to accept most formats including Microsoft Word. Please see the web site for further information on electronic submissions. bullet Authors unable to submit electronically may send hard copy contributions to: Publishing Administrators, Journal of Physics A, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK, enclosing the electronic code on floppy disk if available and quoting `JPhysA Special Issue-Quantum Mechanics: Solvable Models'. bullet All contributions should be accompanied by a read-me file or covering letter giving the postal and e-mail addresses for correspondence. The Publishing Office should be notified of any subsequent change of address. This special issue will be published in the paper and online version of the journal. The corresponding author of each contribution will receive a complimentary copy of the issue. G Dell'Antonio, P Exner and V Geyler Guest Editors

PREFACE: 14th General Conference of the Condensed Matter Division

NASA Astrophysics Data System (ADS)

de Segovia, José L.; Flores, F.; García-Moliner, F.

1994-01-01

This volume contains the proceedings of the 14th General Conference of the Condensed Matter Division, GCCMD-14, held on 28-31 March 1994, at the Faculty of Civil Engineering of the Polytechnical University of Madrid. The publication contains the Plenary and Invited Lectures of those authors who agreed to publish their presentations. The meeting was organized by the Spanish Vacuum Society, ASEVA, under the auspices of the Condensed Matter Division of the European Physical Society, CMD-EPS. The Conference was attended by 466 participants mostly from Europe. The emphasis of the Conference was mainly on: Semiconductors and Insulators Surfaces and Interfaces Liquids and Statistical Mechanics Magnetism and Metals Macromolecules and Chemical Physics The 554 contributions were presented as 6 plenary lectures, 67 invited lectures, 140 oral presentation and 341 poster presentation, in five parallel sessions. The guest Editors are grateful to those authors who sent their contribution for the publication, to the Organizing Committee, to the International Advisory and Programme Committee and to the Local Committee for their excellent work. We also wish to thank those colleagues who took on the hard task of helping in refereeing the papers. It is also a pleasure to thank the Physica Scripta Editor and Editorial Board of Physica Scripta.

Ion sensing by charge transfer absorption variations of benzocrown-bipyridinium conjugates with an alkyl chain.

PubMed

Kuwabara, Tetsuo; Satake, Ryota; Guo, Haocheng

2015-01-01

Two benzocrown ether-bipyridinium conjugates, 1 and 2, each having a different length of alkyl chains with butyl and dodecyl groups, respectively, have been synthesized for the purpose of developing a new guest-responsive color-change chemosensor. Both 1 and 2 showed yellow colors with broad absorption bands around 400 nm in acetonitrile. These are associated with the intramolecular charge transfer (CT) absorption, in which the benzocrown ether and bipyridinium units act as the donor and acceptor, respectively. Upon addition of the guest; such as Na(+), they faded in color due to the blue shift in their intramolecular charge transfer absorption bands. These are associated with the formation of 1:1 host-guest inclusion complex. Analogues, 3 and 4, both being similar in structure to 1 and 2 with non-crown ether unit, also showed intramolecular CT absorptions around 400 nm, but did not change their absorption spectra upon addition of the guest because of the lack of guest-binding abilities. The guest-induced color change of 1 and 2 can be used for alkali and alkaline metal ion sensing. Both 1 and 2 could detect divalent cations such as Mg(2+) and Ca(2+) rather than univalent ones, Li(+), Na(+), K(+), Rb(+), and Cs(+). Although a marked difference between 1 and 2 was not observed in their guest sensing abilities, the remarkable recognition of 1 and 2 for Mg(2+) and Ca(2+) was found compared with that of 5, which has benzyl unit instead of alkyl chains of 1 and 2. The sensitivity values of 1 and 2 were roughly proportional to their binding constants, as shown by the binding constants with Li(+), Na(+), Mg(2+), and Ca(2+) with the values of 910, 260, 820, and 2300 M(-1) for 1 and 930, 290, 1270, and 2790 M(-1) for 2, while the binding constants of 5 were estimated to be 930, 440, 210, and 1200 M(-1) for Li(+), Na(+), Mg(2+), and Ca(2+), respectively. The limit concentration of detection of 2 for Ca(2+) was estimated to be 0.016 mM, which was the smallest value in this system.

FNL: Marking the First 40 Years | Poster

Cancer.gov

By Carolynne Keenan, Guest Writer Forty years ago, a single act by former President Richard Nixon created what we now know as the Frederick National Laboratory for Cancer Research (FNL) at Fort Detrick. What began as a small facility with a staff of about 20 people in the early 1970s grew into the multi-facility, nationally distinguished laboratory for cancer research that it

Healthcare reform in the Middle East and the USA.

PubMed

Younis, Mustafa Z

2017-01-01

Mustafa Z Younis speaks to Laura Dormer, Commissioning Editor: Dr Mustafa Z Younis is an internationally recognized scholar and was a member of the Executive Committee of the International Society for Research of Healthcare Financial Management. Dr Younis has authored and published over 200 articles, abstracts and presentations in refereed journals and meetings, and has presented at national and international conferences. Dr Younis has administrative experience as Senior Adviser for the President at Zirve University, Turkey and as Chair of the Department of Health Policy and Management at Florida International University (FL, USA) where he led the accreditation efforts for the Healthcare Management Program. Dr Younis has a history of playing visible roles on the editorial boards of journals as Chief Editor, Guest Editor and Editorial board member of leading journals such as Journal of International Medical Research, Journal of Health Care Finance, Inquiry, Journal of Health and Human Services Administration, Journal of Public Budgeting, Accounting and Financial Management. Dr Younis is a frequent speaker for both academic and professional audiences. His talks often feature his latest research and work in progress as well as cross-industry trends and strategy implications. He has provided workshops and presentation for wide organizations. His research and findings applied to for-profit, non-profit settings, and government. Dr Younis has consulted with several organizations on healthcare finance, and economics. Dr Younis is often invited to speak about the challenges in the healthcare industry and other related topics to health economics, finance, and research. He has presented topics such as, healthcare reform, ownership structure, profitability, unit cost, payment system and efficiency in management, at a variety of forums and conferences in Europe, Asia and Middle East.

Journal of the Pennsylvania Counseling Association, Spring 1999.

ERIC Educational Resources Information Center

Brooks, Clifford W., Jr., Ed.; Carey, Andrew L., Ed.

1999-01-01

This publication marks the premier issue of a journal covering various counseling-related topics. It is designed for professionals in counseling education, mental health, career, rehabilitation, community, and the school counseling fields. The following articles are included: (1) "Message from the Co-Editors" (Clifford W. Brooks and…

Computer vision for RGB-D sensors: Kinect and its applications.

PubMed

Shao, Ling; Han, Jungong; Xu, Dong; Shotton, Jamie

2013-10-01

Kinect sensor, high-resolution depth and visual (RGB) sensing has become available for widespread use as an off-the-shelf technology. This special issue is specifically dedicated to new algorithms and/or new applications based on the Kinect (or similar RGB-D) sensors. In total, we received over ninety submissions from more than twenty countries all around the world. The submissions cover a wide range of areas including object and scene classification, 3-D pose estimation, visual tracking, data fusion, human action/activity recognition, 3-D reconstruction, mobile robotics, and so on. After two rounds of review by at least two (mostly three) expert reviewers for each paper, the Guest Editors have selected twelve high-quality papers to be included in this highly popular special issue. The papers that comprise this issue are briefly summarized.

50 years of comparative biochemistry: The legacy of Peter Hochachka.

PubMed

Buck, L T; Burness, G; Campbell, K L; Darveau, C-A; Driedzic, W; Guderley, H; McClelland, G B; Moon, T W; Moyes, C D; Schulte, P M

2018-02-28

Peter Hochachka was an early pioneer in the field of comparative biochemistry. He passed away in 2002 after 4 decades of research in the discipline. To celebrate his contributions and to coincide with what would have been his 80th birthday, a group of his former students organized a symposium that ran as a satellite to the 2017 Canadian Society of Zoologists annual meeting in Winnipeg, Manitoba (Canada). This Special Issue of CBP brings together manuscripts from symposium attendees and other authors who recognize the role Peter played in the evolution of the discipline. In this article, the symposium organizers and guest editors look back on his career, celebrating his many contributions to research, acknowledging his role in training of generations of graduate students and post-doctoral fellows in comparative biochemistry and physiology. Copyright © 2018. Published by Elsevier Inc.

Hydrogeology Journal in 2002

USGS Publications Warehouse

Olcott, Perry; Schneider, Robert; Voss, Clifford

2003-01-01

Hydrogeology Journal appeared in six issues containing a total of 674 pages and 47 major articles, including 22 Papers and 24 Reports, as well as Technical Notes and Book Reviews. The final issue of 2002 also contained the annual volume index. Hydrogeology Journal (HJ) is an international forum for hydrogeology and related disciplines. Authors in 2002 were from about 30 countries. Articles advanced hydrogeologic science and described hydrogeologic systems in many regions worldwide. These articles focused on 22 countries: Afghanistan, Argentina, Australia, Austria, Belgium, Brazil, Canada, China, India, Israel, Japan, Jordan, Mexico, New Zealand, Nigeria, Portugal, Qatar, Switzerland, Syria, Turkey, UK, and the USA. The Guest Editors of the 2002 HJ theme issue on "Groundwater Recharge", Bridget R. Scanlon and Peter G. Cook, assembled a highly relevant and sought-after collection of papers from eminent authors on wide-ranging aspects of the subject.

FNL: Marking the First 40 Years | Poster

Cancer.gov

By Carolynne Keenan, Guest Writer Forty years ago, a single act by former President Richard Nixon created what we now know as the Frederick National Laboratory for Cancer Research (FNL) at Fort Detrick. What began as a small facility with a staff of about 20 people in the early 1970s grew into the multi-facility, nationally distinguished laboratory for cancer research that it is today.

BMC Ecology Image Competition 2016: the winning images.

PubMed

Simundza, Julia; Palmer, Matthew; Settele, Josef; Jacobus, Luke M; Hughes, David P; Mazzi, Dominique; Blanchet, Simon

2016-08-09

The 2016 BMC Ecology Image Competition marked another celebration of the astounding biodiversity, natural beauty, and biological interactions documented by talented ecologists worldwide. For our fourth annual competition, we welcomed guest judge Dr. Matthew Palmer of Columbia University, who chose the winning image from over 140 entries. In this editorial, we highlight the award winning images along with a selection of highly commended honorable mentions.

Letter to the Editor re: Bittman's "Butter is Back"

USDA-ARS?s Scientific Manuscript database

Mark Bittman suggests that “Butter Is Back” (column, March 26) based on one highly controversial meta-analysis. There are a number of ways to summarize the available scientific data. The links? Conclusions of the American College of Cardiology and the American Heart Association, released last fall, ...

75 FR 59102 - Defense Federal Acquisition Regulation Supplement; Government-Assigned Serial Number Marking...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-27

... requires agreement between the Government and contractor prior to use of the serial numbers in constructing... Parts 211 and 252 Government procurement. Ynette R. Shelkin, Editor, Defense Acquisition Regulations... revising the introductory text to read as follows: 252.211-7007 Reporting of Government-Furnished Equipment...

Chemistry without bo(a)rders.

PubMed

Tanzer, Eva-Maria

2014-08-01

Note from the Editor: Science, collegiality, travel without borders. Big smiles and warmth. Eternally youthful vigor. When I think of Tetsuo Nozoe, these are the images that immediately come to mind. When I think of the Nozoe Autograph Books, I also think of time. For 40 years, Nozoe carried with him his autograph books and collected his treasures which The Chemical Record is now publishing. Vladimir Prelog signed first when he was 47 and signed last when he was almost 80. Derek Barton signed first when he was 35 and signed last when he was almost 70. Time! I was fascinated by Eva Wille's recommendation that we publish an essay by Eva-Maria Tanzer, a young organic chemist with already a lifetime's experience in exploring chemical research in laboratories around the world. Tanzer brings to us a charming, even innocent perspective that embraces so much of Tetsuo Nozoe's ideals. We are privileged to include Tanzer's vision and her experiences in the collection of essays that accompany the Nozoe Autograph Books. Our contributors range in age and experiences, from the youthful Tanzer to the more mature (including myself!) as do the signatories in the autograph books. Tetsuo Nozoe would have beamed!--Jeffrey I. Seeman Guest Editor University of Richmond Richmond, Virginia 23173, USA E-mail: jseeman@richmond.edu. Copyright © 2014 The Chemical Society of Japan and Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

How to use the WWW to distribute STI

NASA Technical Reports Server (NTRS)

Roper, Donna G.

1994-01-01

This presentation explains how to use the World Wide Web (WWW) to distribute scientific and technical information as hypermedia. WWW clients and servers use the HyperText Transfer Protocol (HTTP) to transfer documents containing links to other text, graphics, video, and sound. The standard language for these documents is the HyperText MarkUp Language (HTML). These are simply text files with formatting codes that contain layout information and hyperlinks. HTML documents can be created with any text editor or with one of the publicly available HTML editors or convertors. HTML can also include links to available image formats. This presentation is available online. The URL is http://sti.larc.nasa. (followed by) gov/demos/workshop/introtext.html.

Tipping the balance of RNA stability by 3' editing of the transcriptome.

PubMed

Chung, Christina Z; Seidl, Lauren E; Mann, Mitchell R; Heinemann, Ilka U

2017-11-01

The regulation of active microRNAs (miRNAs) and maturation of messenger RNAs (mRNAs) that are competent for translation is a crucial point in the control of all cellular processes, with established roles in development and differentiation. Terminal nucleotidyltransferases (TNTases) are potent regulators of RNA metabolism. TNTases promote the addition of single or multiple nucleotides to an RNA transcript that can rapidly alter transcript stability. The well-known polyadenylation promotes transcript stability while the newly discovered but ubiquitious 3'-end polyuridylation marks RNA for degradation. Monoadenylation and uridylation are essential control mechanisms balancing mRNA and miRNA homeostasis. This review discusses the multiple functions of non-canonical TNTases, focusing on their substrate range, biological functions, and evolution. TNTases directly control mRNA and miRNA levels, with diverse roles in transcriptome stabilization, maturation, silencing, or degradation. We will summarize the current state of knowledge on non-canonical nucleotidyltransferases and their function in regulating miRNA and mRNA metabolism. We will review the discovery of uridylation as an RNA degradation pathway and discuss the evolution of nucleotidyltransferases along with their use in RNA labeling and future applications as therapeutic targets. The biochemically and evolutionarily highly related adenylyl- and uridylyltransferases play antagonizing roles in the cell. In general, RNA adenylation promotes stability, while uridylation marks RNA for degradation. Uridylyltransferases evolved from adenylyltransferases in multiple independent evolutionary events by the insertion of a histidine residue into the active site, altering nucleotide, but not RNA specificity. Understanding the mechanisms regulating RNA stability in the cell and controlling the transcriptome is essential for efforts aiming to influence cellular fate. Selectively enhancing or reducing RNA stability allows for alterations in the transcriptome, proteome, and downstream cellular processes. Genetic, biochemical, and clinical data suggest TNTases are potent targets for chemotherapeutics and have been exploited for RNA labeling applications. This article is part of a Special Issue entitled "Biochemistry of Synthetic Biology - Recent Developments" Guest Editor: Dr. Ilka Heinemann and Dr. Patrick O'Donoghue. Copyright © 2017 Elsevier B.V. All rights reserved.

Introduction: Intradural Spinal Surgery video supplement.

PubMed

McCormick, Paul C

2014-09-01

This Neurosurgical Focus video supplement contains detailed narrated videos of a broad range of intradural pathology such as neoplasms, including intramedullary, extramedullary, and dumbbell tumors, vascular malformations, functional disorders, and rare conditions that are often overlooked or misdiagnosed such as arachnoid cysts, ventral spinal cord herniation, and dorsal arachnoid web. The intent of this supplement is to provide meaningful educational and instructional content at all levels of training and practice. As such, the selected video submissions each provide a comprehensive detailed narrative description and coordinated video that contains the entire spectrum of relevant information including imaging, operative setup and positioning, and exposure, as well as surgical strategies, techniques, and sequencing toward the safe and effective achievement of the operative objective. This level of detail often necessitated a more lengthy video duration than is typically presented in oral presentations or standard video clips from peer reviewed publications. Unfortunately, space limitations precluded the inclusion of several other excellent video submissions in this supplement. While most videos in this supplement reflect standard operative approaches and techniques there are also submissions that describe innovative exposures and techniques that have expanded surgical options such as ventral approaches, stereotactic guidance, and minimally invasive exposures. There is some redundancy in both the topics and techniques both to underscore fundamental surgical principles as well as to provide complementary perspective from different surgeons. It has been my privilege to serve as guest editor for this video supplement and I would like to extend my appreciation to Mark Bilsky, Bill Krauss, and Sander Connolly for reviewing the large number submitted videos. Most of all, I would like to thank the authors for their skill and effort in the preparation of the outstanding videos that constitute this video supplement.

EMICORON: A multi-targeting G4 ligand with a promising preclinical profile.

PubMed

Porru, Manuela; Zizza, Pasquale; Franceschin, Marco; Leonetti, Carlo; Biroccio, Annamaria

2017-05-01

During the last decade, guanine G-rich sequences folding into G-quadruplex (G4) structures have received a lot of attention and their biological role is now a matter of large debate. Rising amounts of experimental evidence have validated several G-rich motifs as molecular targets in cancer treatment. Despite that an increasing number of small molecules has been reported to possess excellent G4 stabilizing properties, none of them has progressed through the drug-development pipeline due to their poor drug-like properties. In this context, the identification of G4 ligands with more favorable pharmacological properties and with a well-defined target activity could be fruitful for anticancer therapy application. This manuscript outlines the current state of knowledge regarding EMICORON, a G4-interactive molecule structurally and biologically similar, on the one side, to coronene and, on the other side, to a bay-monosubstituted perylene. Overall this work evidences that EMICORON, a new promising G4 ligand, possesses a marked antitumoral activity both standing alone and in combination with chemotherapeutics. Moreover, EMICORON represents a good example of multimodal class of antitumoral drug, able to simultaneously affect multiple targets participating in several distinct signaling pathways, thus simplifying the treatment modalities and improving the selectivity against cancer cells. Due to the importance of G4 forming sequences in crucial biological processes participating in tumor progression, their successful targeting with small molecules could represent a very important innovation in the development of effective therapeutic strategies against cancer. This article is part of a Special Issue entitled "G-quadruplex" Guest Editor: Dr. Concetta Giancola and Dr. Daniela Montesarchio. Copyright © 2016 Elsevier B.V. All rights reserved.

Metformin - a Future Therapy for Neurodegenerative Diseases : Theme: Drug Discovery, Development and Delivery in Alzheimer's Disease Guest Editor: Davide Brambilla.

PubMed

Markowicz-Piasecka, Magdalena; Sikora, Joanna; Szydłowska, Aleksandra; Skupień, Agata; Mikiciuk-Olasik, Elżbieta; Huttunen, Kristiina M

2017-12-01

Type 2 diabetes mellitus (T2DM) is a complex, chronic and progressive metabolic disease, which is characterized by relative insulin deficiency, insulin resistance, and high glucose levels in blood. Esteemed published articles and epidemiological data exhibit an increased risk of developing Alzheimer's disease (AD) in diabetic pateints. Metformin is the most frequently used oral anti-diabetic drug, which apart from hypoglycaemic activity, improves serum lipid profiles, positively influences the process of haemostasis, and possesses anti-inflammatory properties. Recently, scientists have put their efforts in establishing metformin's role in the treatment of neurodegenerative diseases, such as AD, amnestic mild cognitive impairment and Parkinson's disease. Results of several clinical studies confirm that long term use of metformin in diabetic patients contributes to better cognitive function, compared to participants using other anti-diabetic drugs. The exact mechanism of metformin's advantageous activity in AD is not fully understood, but scientists claim that activation of AMPK-dependent pathways in human neural stem cells might be responsible for the neuroprotective activity of metformin. Metformin was also found to markedly decease Beta-secretase 1 (BACE1) protein expression and activity in cell culture models and in vivo, thereby reducing BACE1 cleavage products and the production of Aβ (β-amyloid). Furthermore, there is also some evidence that metformin decreases the activity of acetylcholinesterase (AChE), which is responsible for the degradation of acetylcholine (Ach), a neurotransmitter involved in the process of learning and memory. In regard to the beneficial effects of metformin, its anti-inflammatory and anti-oxidative properties cannot be omitted. Numerous in vitro and in vivo studies have confirmed that metformin ameliorates oxidative damage.

Tandem application of ligand-based virtual screening and G4-OAS assay to identify novel G-quadruplex-targeting chemotypes.

PubMed

Musumeci, Domenica; Amato, Jussara; Zizza, Pasquale; Platella, Chiara; Cosconati, Sandro; Cingolani, Chiara; Biroccio, Annamaria; Novellino, Ettore; Randazzo, Antonio; Giancola, Concetta; Pagano, Bruno; Montesarchio, Daniela

2017-05-01

G-quadruplex (G4) structures are key elements in the regulation of cancer cell proliferation and their targeting is deemed to be a promising strategy in anticancer therapy. A tandem application of ligand-based virtual screening (VS) calculations together with the experimental G-quadruplex on Oligo Affinity Support (G4-OAS) assay was employed to discover novel G4-targeting compounds. The interaction of the selected compounds with the investigated G4 in solution was analysed through a series of biophysical techniques and their biological activity investigated by immunofluorescence and MTT assays. A focused library of 60 small molecules, designed as putative G4 groove binders, was identified through the VS. The G4-OAS experimental screening led to the selection of 7 ligands effectively interacting with the G4-forming human telomeric DNA. Evaluation of the biological activity of the selected compounds showed that 3 ligands of this sub-library induced a marked telomere-localized DNA damage response in human tumour cells. The combined application of virtual and experimental screening tools proved to be a successful strategy to identify new bioactive chemotypes able to target the telomeric G4 DNA. These compounds may represent useful leads for the development of more potent and selective G4 ligands. Expanding the repertoire of the available G4-targeting chemotypes with improved physico-chemical features, in particular aiming at the discovery of novel, selective G4 telomeric ligands, can help in developing effective anti-cancer drugs with fewer side effects. This article is part of a Special Issue entitled "G-quadruplex" Guest Editor: Dr. Concetta Giancola and Dr. Daniela Montesarchio. Copyright © 2017 Elsevier B.V. All rights reserved.

[Letters to the editor published in Peruvian biomedical journals indexed in SciELO-Peru 2006-2013].

PubMed

Montenegro-Idrogo, Juan José; Mejía-Dolores, Jhon William; Chalco-Huamán, Joel L

2015-01-01

This bibliometric study describes the characteristics of letters to the editor published between 2006-2013 in biomedical journals indexed in SciELO-Peru.253 letters (10.3% of total publications) were collected. Most letters (139) were in the Peruvian Journal of Experimental Medicine and Public Health, with marked increase throughout those years. 25% of letters submitted included medical student participation. 14% of authors presented with international affiliations and 27% with endogenous affiliation - common in university journals (Anales de la Facultad de Medicina, Revista Médica Herediana).The usual criteria justifying the publication of letters were: opinion of medical fact or public domain (35.6%) and discussion of results, methodological flaws or interpretation (22.9%). In biomedical journals indexed in SciELO Peru the letters to the editor comprise a percentage of publications that has increased in recent years, with low publication of letters of findings or primary data, compared with opinion or criticism.

William Deresiewicz Talks with Executive Editor, Frank Shushok, Jr. about His Book, "Excellent Sheep: The Miseducation of The American Elite & The Way to a Meaningful Life"

ERIC Educational Resources Information Center

Deresiewicz, William; Shushok, Frank, Jr.

2017-01-01

In this article, William Deresiewicz discusses his Book, "Excellent Sheep: The Miseducation of the American Elite & the Way to a Meaningful Life." He shares his perspective on some of the ways higher education is missing the mark.

Interview with Louise Lonabocker

ERIC Educational Resources Information Center

von Munkwitz-Smith, Jeffrey

2015-01-01

This issue of "College and University" marks a transition in the Editor-in-Chief Position, with the interview of Louise Lonabocker, who has served in this capacity for the past ten years. She has also served as President of AACRAO, and in both positions, Lonabocker has been a role model for many AACRAO leaders. Lonabocker describes the…

Generic Unclassified Stockpile Sizing Module (SSM) Training and Testing for the National Defense Stockpile (NDS) 2015

DTIC Science & Technology

2014-11-01

the editor, Mr. John Everett , and Ms. Barbara Varvaglione for production support. Copyright Notice © 2014 Institute for Defense Analyses 4850 Mark...Institute for Defense Analyses, forthcoming. Thomason, James S., Robert J. Atwell, D. Sean Barnett, James P. Bell , Michael F. Fitzsimmons, Nicholas S

Macroscopic ordering of helical pores for arraying guest molecules noncentrosymmetrically

PubMed Central

Li, Chunji; Cho, Joonil; Yamada, Kuniyo; Hashizume, Daisuke; Araoka, Fumito; Takezoe, Hideo; Aida, Takuzo; Ishida, Yasuhiro

2015-01-01

Helical nanostructures have attracted continuous attention, not only as media for chiral recognition and synthesis, but also as motifs for studying intriguing physical phenomena that never occur in centrosymmetric systems. To improve the quality of signals from these phenomena, which is a key issue for their further exploration, the most straightforward is the macroscopic orientation of helices. Here as a versatile scaffold to rationally construct this hardly accessible structure, we report a polymer framework with helical pores that unidirectionally orient over a large area (∼10 cm2). The framework, prepared by crosslinking a supramolecular liquid crystal preorganized in a magnetic field, is chemically robust, functionalized with carboxyl groups and capable of incorporating various basic or cationic guest molecules. When a nonlinear optical chromophore is incorporated in the framework, the resultant complex displays a markedly efficient nonlinear optical output, owing to the coherence of signals ensured by the macroscopically oriented helical structure. PMID:26416086

Biophysical Aspects of Alzheimer's Disease: Implications for Pharmaceutical Sciences : Theme: Drug Discovery, Development and Delivery in Alzheimer's Disease Guest Editor: Davide Brambilla.

PubMed

Arosio, Paolo

2017-12-01

An increasing amount of findings suggests that the aggregation of soluble peptides and proteins into amyloid fibrils is a relevant upstream process in the complex cascade of events leading to the pathology of Alzheimer's disease and several other neurodegenerative disorders. Nevertheless, several aspects of the correlation between the aggregation process and the onset and development of the pathology remain largely elusive. In this context, biophysical and biochemical studies in test tubes have proven extremely powerful in providing quantitative information about the structure and the reactivity of amyloids at the molecular level. In this review we use selected recent examples to illustrate the importance of such biophysical research to complement phenomenological studies based on cellular and molecular biology, and we discuss the implications for pharmaceutical applications associated with Alzheimer's disease and other neurodegenerative disorders in both academic and industrial contexts.

Notes from the guest editor.

PubMed

Dewa, Carolyn S

2011-01-01

In 2009, four institutes of the Canadian Institutes of Health Research (Gender and Health; Health Services and Policy Research; Neurosciences, Mental Health and Addiction; and Population and Public Health) sponsored the Fourth Annual Canadian Research Congress on Mental Health and Addictions in the Workplace, in Toronto, Ontario. Hosted by the Work and Well-Being Research and Evaluation Program at the Centre for Addiction and Mental Health, the theme of the congress was We Can Do It! Evidence and Interventions for Transforming Mental Health in the Workplace (see http://www.kewa.camh.net/researchers/areas/work_wellbeing/Pages/default.aspx for more details). Coincidentally, in the same year, an idealistic presidential hopeful named Barack Obama adopted a similar slogan for his White House run. Obama recognized that change that challenges established barriers can only come about through co-operation and a collective investment. Copyright © 2011 Longwoods Publishing.

An expanded genetic code for probing the role of electrostatics in enzyme catalysis by vibrational Stark spectroscopy.

PubMed

Völler, Jan-Stefan; Biava, Hernan; Hildebrandt, Peter; Budisa, Nediljko

2017-11-01

To find experimental validation for electrostatic interactions essential for catalytic reactions represents a challenge due to practical limitations in assessing electric fields within protein structures. This review examines the applications of non-canonical amino acids (ncAAs) as genetically encoded probes for studying the role of electrostatic interactions in enzyme catalysis. ncAAs constitute sensitive spectroscopic probes to detect local electric fields by exploiting the vibrational Stark effect (VSE) and thus have the potential to map the protein electrostatics. Mapping the electrostatics in proteins will improve our understanding of natural catalytic processes and, in beyond, will be helpful for biocatalyst engineering. This article is part of a Special Issue entitled "Biochemistry of Synthetic Biology - Recent Developments" Guest Editor: Dr. Ilka Heinemann and Dr. Patrick O'Donoghue. Copyright © 2017 Elsevier B.V. All rights reserved.

Genetic incorporation of Nε-acetyllysine reveals a novel acetylation-sumoylation switch in yeast.

PubMed

Kim, Sang-Woo; Lee, Kyung Jin; Kim, Sinil; Kim, Jihyo; Cho, Kyukwang; Ro, Hyeon-Su; Park, Hee-Sung

2017-11-01

The lysine acetylation of proteins plays a key role in regulating protein functions, thereby controlling a wide range of cellular processes. Despite the prevalence and significance of lysine acetylation in eukaryotes, however, its systematic study has been challenged by the technical limitations of conventional approaches for selective lysine acetylation in vivo. Here, we report the in vivo study of lysine acetylation via the genetic incorporation of N ε -acetyllysine in yeast. We demonstrate that a newly discovered acetylation-sumoylation switch precisely controls the localization and cellular function of the yeast septin protein, Cdc11, during the cell cycle. This approach should facilitate the comprehensive in vivo study of lysine acetylation across a wide range of proteins in eukaryotic organisms. This article is part of a Special Issue entitled "Biochemistry of Synthetic Biology - Recent Developments" Guest Editor: Dr. Ilka Heinemann and Dr. Patrick O'Donoghue. Copyright © 2017 Elsevier B.V. All rights reserved.

Effects of coating spherical iron oxide nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Milosevic, Irena; Motte, Laurence; Aoun, Bachir

2017-01-01

We investigate the effect of several coatings applied in biomedical applications to iron oxide nanoparticles on the size, structure and composition of the particles. The four structural techniques employed - TEM, DLS, VSM, SAXS and EXAFS - show no significant effects of the coatings on the spherical shape of the bare nanoparticles, the average sizes or the local order around the Fe atoms. The NPs coated with hydroxylmethylene bisphosphonate or catechol have a lower proportion of magnetite than the bare and citrated ones, raising the question whether the former are responsible for increasing the valence state of the oxide onmore » the NP surfaces and lowering the overall proportion of magnetite in the particles. VSM measurements show that these two coatings lead to a slightly higher saturation magnetization than the citrate. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazu and Dr. Federica Migliardo.« less

Graduate Education Is the Dubai of Higher Learning

ERIC Educational Resources Information Center

Adamson, Morgan

2010-01-01

Mark C. Taylor's op-ed in the "New York Times," "End the University as We Know It," struck a nerve among both faculty and graduate students, as shown by the numerous blog posts and letters to the editor it inspired. Taylor, chair of the religion department at Columbia University, spoke directly to their deepest insecurities by…

From the Courtroom to the Classroom: The Shifting Landscape of School Desegregation

ERIC Educational Resources Information Center

Smrekar, Claire E., Ed.; Goldring, Ellen B., Ed.

2009-01-01

"From the Courtroom to the Classroom" examines recent developments pertaining to school desegregation in the United States. As the editors note, it comes at a time marked by a "general downplaying of race and ethnicity as criteria for the allocation of public resources, as well as a weakening of the political forces that support…

A methodology for evaluation of a markup-based specification of clinical guidelines.

PubMed

Shalom, Erez; Shahar, Yuval; Taieb-Maimon, Meirav; Lunenfeld, Eitan

2008-11-06

We introduce a three-phase, nine-step methodology for specification of clinical guidelines (GLs) by expert physicians, clinical editors, and knowledge engineers, and for quantitative evaluation of the specification's quality. We applied this methodology to a particular framework for incremental GL structuring (mark-up) and to GLs in three clinical domains with encouraging results.

CALL FOR PAPERS: Optics and squeeze transformations after Einstein

NASA Astrophysics Data System (ADS)

Kim, Young S.; Man'ko, Margarita A.; Planat, Michel

2005-01-01

Journal of Optics B: Quantum and Semiclassical Optics will publish a special issue in connection with the 9th International Conference on Squeezed States and Uncertainty Relations, to be held in Besançon, France, on 2-6 May 2005. In 2005, the physics community celebrates the 100th anniversary of the publication of Einstein’s theories of relativity and quantum physics. To celebrate these great contributions to physics, the conference will include sessions on Einstein’s influence on modern optics and the foundations of quantum mechanics. Conference participants, as well as other researchers working in the field, are invited to submit research papers to this special issue of the journal. The topics to be covered include: • Superposition principle • Squeezed states • Uncertainty relations • Quantum state generation and characterization • Phase space and group representations in quantum physics • Quantum transforms in signal analysis • Information theory and quantum computing • Quantum interference, decoherence and entanglement measure • Quantum chaos and quantum control • Bell inequalities • Nonstationary Casimir effect • Quantum-like and mesoscopic systems Manuscripts should be submitted by 1 August 2005 as the special issue is scheduled for publication in March 2006. All papers will be peer reviewed and the normal refereeing standards of Journal of Optics B: Quantum and Semiclassical Optics will be maintained. The Editorial Division of IOP Publishing at the P N Lebedev Physical Institute in Moscow will oversee editorial procedures in association with the IOP Publishing office in Bristol. There are no page charges for publication. Submissions should preferably be in either standard LaTeX form or Microsoft Word. Advice on publishing your work in the journal, including specific information on figures, tables and references, may be found at www.iop.org/journals/authors. Manuscripts should be submitted by e-mail to the Guest Editors at IOPP@sci.lebedev.ru quoting the reference 'Special Issue/ST'. Authors are strongly encouraged to submit their work as soon as possible. Any subsequent change of address should be notified to the publishing office. If you have any questions, please do not hesitate to contact Claire Bedrock, Publisher (claire.bedrock@iop.org) or Margarita A Man'ko, Guest Editor (mmanko@sci.lebedev.ru). For further information on the journal, please visit our Website at www.iop.org/journals/jopb.

CALL FOR PAPERS: Optics and squeeze transformations after Einstein

NASA Astrophysics Data System (ADS)

Kim, Young S.; Man'ko, Margarita A.; Planat, Michel

2004-12-01

Journal of Optics B: Quantum and Semiclassical Optics will publish a special issue in connection with the 9th International Conference on Squeezed States and Uncertainty Relations, to be held in Besançon, France, on 2-6 May 2005. In 2005, the physics community celebrates the 100th anniversary of the publication of Einstein’s theories of relativity and quantum physics. To celebrate these great contributions to physics, the conference will include sessions on Einstein’s influence on modern optics and the foundations of quantum mechanics. Conference participants, as well as other researchers working in the field, are invited to submit research papers to this special issue of the journal. The topics to be covered include: • Superposition principle • Squeezed states • Uncertainty relations • Quantum state generation and characterization • Phase space and group representations in quantum physics • Quantum transforms in signal analysis • Information theory and quantum computing • Quantum interference, decoherence and entanglement measure • Quantum chaos and quantum control • Bell inequalities • Nonstationary Casimir effect • Quantum-like and mesoscopic systems Manuscripts should be submitted by 1 August 2005 as the special issue is scheduled for publication in March 2006. All papers will be peer reviewed and the normal refereeing standards of Journal of Optics B: Quantum and Semiclassical Optics will be maintained. The Editorial Division of IOP Publishing at the P N Lebedev Physical Institute in Moscow will oversee editorial procedures in association with the IOP Publishing office in Bristol. There are no page charges for publication. Submissions should preferably be in either standard LaTeX form or Microsoft Word. Advice on publishing your work in the journal, including specific information on figures, tables and references, may be found at www.iop.org/journals/authors. Manuscripts should be submitted by e-mail to the Guest Editors at IOPP@sci.lebedev.ru quoting the reference 'Special Issue/ST'. Authors are strongly encouraged to submit their work as soon as possible. Any subsequent change of address should be notified to the publishing office. If you have any questions, please do not hesitate to contact Claire Bedrock, Publisher (claire.bedrock@iop.org) or Margarita A Man'ko, Guest Editor (mmanko@sci.lebedev.ru). For further information on the journal, please visit our Website at www.iop.org/journals/jopb.

Antares Rocket Test Launch

NASA Image and Video Library

2013-04-21

NASA Deputy Administrator Lori Garver and other guests react after having watched the successful launch of the Orbital Sciences Corporation Antares rocket from the Mid-Atlantic Regional Spaceport (MARS) at the NASA Wallops Flight Facility in Virginia, Sunday, April 21, 2013. The test launch marked the first flight of Antares and the first rocket launch from Pad-0A. The Antares rocket delivered the equivalent mass of a spacecraft, a so-called mass simulated payload, into Earth's orbit. Photo Credit: (NASA/Bill Ingalls)

Stabilized nonlinear optical chromophore alignment in high-? guest - host polycarbonates

NASA Astrophysics Data System (ADS)

Healy, D.; Bloor, D.; Gray, D.; Cross, G. H.

1997-11-01

Electric-field-poling studies of two polycarbonates doped with 2-(N,N dimethylamino)-5-nitroacetanilide revealed a long-term room-temperature alignment stability. This stability at room temperature is compared with that of similarly doped poly(methyl methacrylate) (PMMA) which displays short-term relaxation. Despite several previous suggestions that hydrogen bonding between guest and host plays a major role in these effects, infra-red spectroscopic studies refuted the idea that stronger hydrogen bond formation in the polycarbonate rather than in PMMA is the dominant influence. Rather we show, using an examination of the poling currents during poling, that the re-orientation dynamics in the polycarbonate systems are markedly different. In the case of PMMA-doped films, the deposited surface charge is compensated by poling currents at a rate at least comparable to the rate of deposition of corona charge. The compensation rate for polycarbonate-doped systems was markedly lower, however, suggesting that polar re-orientation is slower. Studies of the second-order optical nonlinearities of poled thin films using second-harmonic generation revealed an apparent enhancement of the second-harmonic coefficient compared with the predictions of conventional theories. However, we note that the use of microscopic parameters (the dipole moment and the first hyperpolarizability) obtained from measurements in non-dipolar media may give rise to the apparent anomaly since high reaction fields in polycarbonate films may act to modify these parameters.

Scratching the surface of tomorrow's diagnostics: the Editor-in-Chief's opinion at the 15th year of Expert Review of Molecular Diagnostics.

PubMed

Lorincz, Attila; Raison, Claire

2015-01-01

Interview with Attila Lorincz by Claire Raison (Commissioning Editor) To mark the beginning of the 15th year of Expert Review of Molecular Diagnostics, the journal's Editor-in-Chief shares his expert knowledge on translational diagnostics, his opinion on recent controversies and his predictions for molecular diagnostics in 2015 and beyond. Attila Lorincz received his doctorate from Trinity College, Dublin, Republic of Ireland, and went on to become a research fellow at the University of California, Santa Barbara, CA, USA. During Professor Lorincz's research on human papillomavirus (HPV), he found several important and novel carcinogenic HPV types and pioneered the use of HPV DNA testing for clinical diagnostics. In 1988, Professor Lorincz's team produced the first HPV test to be FDA-approved for patients and in 2003, for general population cervical precancer screening. Now Professor of Molecular Epidemiology at the Centre for Cancer Prevention, Queen Mary University of London, UK, he and his team are furthering translational research into DNA methylation assays for cancer risk prediction.

AGU candidates for office, 1998”2000, Union officers

NASA Astrophysics Data System (ADS)

Marcia K. McNutt. AGU member since 1976, Director of the Monterey Bay Aquarium Research Institute. Major areas of interest are lithospheric tectonics and mantle geodynamics. B.A. in physics (Phi Beta Kappa, summa cum laude), 1973, Colorado College; Ph.D. in Earth science, 1978, Scripps Institution of Oceanography. Researcher at U.S. Geological Survey, Menlo Park, 1979-1982semi Professor at Massachusetts Institute of Technology, 1982-1997. Member of American Association for the Advancement of Science. Authored 74 publications, 45 in AGU journals. Most important publications include The Superswell and mantle dynamics beneath the South Pacific, Science, 248, 969-975,1990semi Marine geodynamics: depth-age revisited, Rev. Geophys., U.S. National Report Supplement, 413-418,1995 Mapping the descent of Indian and Eurasian plates beneath the Tibetan plateau from gravity anomalies, J. Geophys. plume theory to explain multiple episodes of stress-triggered volcanism in the Austral Islands, Nature, in press, 1997. Awarded Macelwane Medal, 1988; Doctor of Science (honoris causa), Colorado College, 1988; NSF Visiting Professorship for Women, Lamont-Doherty Earth Observatory, 1989-1990semi Griswold Professor of Geophysics, MIT, 1991-1997 Outstanding Alumni Award, The Blake Schools, Minneapolis, 1993; Capital Science Lecturer, Carnegie Institution, 1995; Phi Beta Kappa Visiting Scholar, 1996-1997 MIT School of Science Graduate Teaching Prize, 1996. AGU service as Associate Editor and Guest Editor of Journal of Geophysical Research-Solid Earth, member of Program, Budget and Finance, and Audit and Legal Affairs committeessemi; chair of Publications and Macelwane committees, and President of the Tectonophysics Section.

Antares Rocket Test Launch

NASA Image and Video Library

2013-04-21

NASA Administrator Charles Bolden and NASA Deputy Administrator Lori Garver and other guests react after having watched the successful launch of the Orbital Sciences Corporation Antares rocket from the Mid-Atlantic Regional Spaceport (MARS) at the NASA Wallops Flight Facility in Virginia, Sunday, April 21, 2013. The test launch marked the first flight of Antares and the first rocket launch from Pad-0A. The Antares rocket delivered the equivalent mass of a spacecraft, a so-called mass simulated payload, into Earth's orbit. Photo Credit: (NASA/Bill Ingalls)

Human Genome Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1993-01-01

The DOE Human Genome program has grown tremendously, as shown by the marked increase in the number of genome-funded projects since the last workshop held in 1991. The abstracts in this book describe the genome research of DOE-funded grantees and contractors and invited guests, and all projects are represented at the workshop by posters. The 3-day meeting includes plenary sessions on ethical, legal, and social issues pertaining to the availability of genetic data; sequencing techniques, informatics support; and chromosome and cDNA mapping and sequencing.

ICPS Turnover GSDO Employee Event

NASA Image and Video Library

2017-11-07

Mike Bolger, Ground Systems Development and Operations Program manager at NASA's Kennedy Space Center, speaks to guests during a ceremony in the high bay of the Space Station Processing Facility. The event marked the milestone of the Space Launch System rocket's Interim Cryogenic Propulsion Stage (ICPS) being turned over from NASA's Spacecraft/Payload Integration and Evolution organization to the spaceport's Ground Systems Development and Operations directorate. The ICPS is the first integrated piece of flight hardware to arrive in preparation for the uncrewed Exploration Mission-1.

Illustration Watermarking for Digital Images: An Investigation of Hierarchical Signal Inheritances for Nested Object-based Embedding

DTIC Science & Technology

2007-02-23

approach for signal-level watermark inheritance. 15. SUBJECT TERMS EOARD, Steganography , Image Fusion, Data Mining, Image ...in watermarking algorithms , a program interface and protocol has been de - veloped, which allows control of the embedding and retrieval processes by the...watermarks in an image . Watermarking algorithm (DLL) Watermarking editor (Delphi) - User marks all objects: ci - class information oi - object instance

Medical Surveillance Monthly Report (MSMR). Volume 2, Number 2, February 1996

DTIC Science & Technology

1996-02-01

Inguinale (c) Lymphogranuloma Venereum (d) Syphilis unspec. (e) Syph, tertiary (f) Syph, congenital MSMRVol. 02 / No. 02 7 Continued from page 3...Director, Epidemiology and Disease Surveillance, USACHPPM Editor MAJ Mark V. Rubertone, MD, MPH Chief, Army Medical Surveillance Activity, USACHPPM...essarily those of the Department of the Army. Epidemiologic Investigation Prepared by the Medical Surveil- lance Activity, Directorate of Epidemiology and

The Possibility of Soviet-American Cooperation Against Terrorism

DTIC Science & Technology

1989-03-01

with a list of Soviet and American participants.) -5- The entire process was informal and democratic. John Marks and Oleg Belayev presided. One of the...Blishchenko - Professor, Chief of International Law Department, Patrice Lumumba University Gennady K. Efimov - Lawyer Vladimir P. Kuznetsov - Observer of...34Literaturnaya Gazeta" Dr. Evgueny G. Ljahov - Lawyer, Ministry of the Interior Lidia A. Madzharjan - Professor Oleg Prudkov - Foreign Editor

Reflections of a former vice president on long-time cardiac experiences

PubMed Central

Cheney, Richard B. (“Dick”)

2009-01-01

Editor's Note: Mr. Cheney, 46th vice president of the United States, was the featured guest speaker at the third annual Baylor Health Care System Foundation Heart and Vascular Dinner on April 7, 2009, at the home of Kathy and Harlan Crow (Figures 1 and 2). Previous speakers were former Senator Bob Dole and Denton Cooley, MD. Cheney spoke about his experiences with cardiovascular disease, his 40-year career in public service, and the challenges facing health care. Mr. Cheney has had four heart attacks and numerous other cardiovascular episodes, beginning with his first heart attack when he was 37 years old. The Foundation's Heart and Vascular Campaign, which has raised more than $11.2 million toward its $20 million fundraising goal, supports eight cardiology fellows and four residents in vascular surgery, as well as cardiovascular research at Baylor University Medical Center at Dallas, Baylor Hamilton Heart and Vascular Hospital, and The Heart Hospital Baylor Plano. PMID:21240297

Absorption and folding of melittin onto lipid bilayer membranes via unbiased atomic detail microsecond molecular dynamics simulation.

PubMed

Chen, Charles H; Wiedman, Gregory; Khan, Ayesha; Ulmschneider, Martin B

2014-09-01

Unbiased molecular simulation is a powerful tool to study the atomic details driving functional structural changes or folding pathways of highly fluid systems, which present great challenges experimentally. Here we apply unbiased long-timescale molecular dynamics simulation to study the ab initio folding and partitioning of melittin, a template amphiphilic membrane active peptide. The simulations reveal that the peptide binds strongly to the lipid bilayer in an unstructured configuration. Interfacial folding results in a localized bilayer deformation. Akin to purely hydrophobic transmembrane segments the surface bound native helical conformer is highly resistant against thermal denaturation. Circular dichroism spectroscopy experiments confirm the strong binding and thermostability of the peptide. The study highlights the utility of molecular dynamics simulations for studying transient mechanisms in fluid lipid bilayer systems. This article is part of a Special Issue entitled: Interfacially Active Peptides and Proteins. Guest Editors: William C. Wimley and Kalina Hristova. Copyright © 2014. Published by Elsevier B.V.

KSC-98pc419

NASA Image and Video Library

1998-03-25

KENNEDY SPACE CENTER, FLA. -- John F. Kennedy Jr., editor-in-chief of George Magazine, greets invited guests at the Home Box Office (HBO) and Imagine Entertainment premiere of the 12-part miniseries "From the Earth to the Moon" at Kennedy Space Center (KSC). The series was filmed in part on location at KSC and dramatizes the human aspects of NASA's efforts to launch Americans to the Moon. The miniseries highlights NASA's Apollo program and the events leading up to and including the six successful missions to the Moon. A special 500-seat theater was constructed next to the Apollo/Saturn V Center for the KSC premiere showing. Speakers at the event included KSC Director Roy Bridges (at right); Jeff Bewkes, chairman and CEO for HBO; and John F. Kennedy Jr. Also attending the event, which featured the episode entitled "1968," were Buzz Aldrin, Apollo 11 astronaut, and Al Worden, Apollo 15 astronaut. The original miniseries event, created for HBO by actor Tom Hanks and Imagine Entertainment, will premiere on HBO beginning April 5, 1998

Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms☆

PubMed Central

Mori, Takaharu; Miyashita, Naoyuki; Im, Wonpil; Feig, Michael; Sugita, Yuji

2016-01-01

This paper reviews various enhanced conformational sampling methods and explicit/implicit solvent/membrane models, as well as their recent applications to the exploration of the structure and dynamics of membranes and membrane proteins. Molecular dynamics simulations have become an essential tool to investigate biological problems, and their success relies on proper molecular models together with efficient conformational sampling methods. The implicit representation of solvent/membrane environments is reasonable approximation to the explicit all-atom models, considering the balance between computational cost and simulation accuracy. Implicit models can be easily combined with replica-exchange molecular dynamics methods to explore a wider conformational space of a protein. Other molecular models and enhanced conformational sampling methods are also briefly discussed. As application examples, we introduce recent simulation studies of glycophorin A, phospholamban, amyloid precursor protein, and mixed lipid bilayers and discuss the accuracy and efficiency of each simulation model and method. This article is part of a Special Issue entitled: Membrane Proteins. Guest Editors: J.C. Gumbart and Sergei Noskov. PMID:26766517

Practicing safe cell culture: applied process designs for minimizing virus contamination risk.

PubMed

Kiss, Robert D

2011-01-01

CONFERENCE PROCEEDING Proceedings of the PDA/FDA Adventitious Viruses in Biologics: Detection and Mitigation Strategies Workshop in Bethesda, MD, USA; December 1-3, 2010 Guest Editors: Arifa Khan (Bethesda, MD), Patricia Hughes (Bethesda, MD) and Michael Wiebe (San Francisco, CA) Genentech responded to a virus contamination in its biologics manufacturing facility by developing and implementing a series of barriers specifically designed to prevent recurrence of this significant and impactful event. The barriers included steps to inactivate or remove potential virus particles from the many raw materials used in cell culture processing. Additionally, analytical testing barriers provided protection of the downstream processing areas should a culture contamination occur, and robust virus clearance capability provided further assurance of virus safety should a low level contamination go undetected. This conference proceeding will review Genentech's approach, and lessons learned, in minimizing virus contamination risk in cell culture processes through multiple layers of targeted barriers designed to deliver biologics products with high success rates.

Astrophysical implications of extraterrestrial materials: A special issue for Ernst K. Zinner

NASA Astrophysics Data System (ADS)

Nittler, Larry R.

2018-01-01

This special issue is dedicated to the memory of Dr. Ernst K. Zinner (Fig. 1). Dr. Zinner (1937-2015) was a pioneer in the use of Secondary Ion Mass Spectrometry (SIMS) in geo- and cosmochemistry. His contributions to science were vast, but in addition to his foundational SIMS development work, he is best known for the discovery and detailed characterization of presolar stardust grains in meteorites. This discovery opened up important new connections between astrophysics and meteoritical research and this is the overarching theme of this issue. Throughout his career, Ernst was a teacher, mentor, friend, and generous collaborator to legions of scientists. This issue presents research by many who were taught by, inspired by, and/or collaborated with this innovative cosmochemist and astrophysicist. In addition to the author, Ernst's former students and collaborators Drs. Christine Floss (Washington University) Peter Hoppe (MPI for chemistry, Mainz, Germany), and Kevin McKeegan (University of California, Los Angeles) served as Guest Editors for this issue.

Computer-aided field editing in DHS: the Turkey experiment.

PubMed

1995-01-01

A study comparing field editing using a Notebook computer, computer-aided field editing (CAFE), with that done manually in the standard manner, during the 1993 Demographic and Health Survey (DHS) in Turkey, demonstrated that there was less missing data and a lower mean number of errors for teams using CAFE. 6 of 13 teams used CAFE in the Turkey experiment; the computers were equipped with Integrated System for Survey Analysis (ISSA) software for editing the DHS questionnaires. The CAFE teams completed 2466 out of 8619 household questionnaires and 1886 out of 6649 individual questionnaires. The CAFE team editor entered data into the computer and marked any detected errors on the questionnaire; the errors were then corrected by the editor, in the field, based on other responses in the questionnaire, or on corrections made by the interviewer to which the questionnaire was returned. Errors in questionnaires edited manually are not identified until they are sent to the survey office for data processing, when it is too late to ask for clarification from respondents. There was one area where the error rate was higher for CAFE teams; the CAFE editors paid less attention to errors presented as warnings only.

EDITORIAL: Message from the Editor Message from the Editor

NASA Astrophysics Data System (ADS)

Thomas, Paul

2011-01-01

As usual, being an even year, the 23rd IAEA Fusion Energy Conference took place at Daejeon, Korea. The event was notable not just for the quality of the presentations but also for the spectacular opening ceremony, in the presence of the Prime Minister, Kim Hwang-sik. The Prime Minister affirmed the importance of research into fusion energy research and pledged support for ITER. Such political visibility is good news, of course, but it brings with it the obligation to perform. Fortunately, good performance was much in evidence in the papers presented at the conference, of which a significant proportion contain 'ITER' in the title. Given this importance of ITER and the undertaking by the Nuclear Fusion journal to publish papers associated with Fusion Energy Conference presentations, the Nuclear Fusion Editorial Board has decided to adopt a simplified journal scope that encompasses technology papers more naturally. The scope is available from http://iopscience.iop.org/0029-5515/page/Journal%20information but is reproduced here for clarity: Nuclear Fusion publishes articles making significant advances to the field of controlled thermonuclear fusion. The journal scope includes: the production, heating and confinement of high temperature plasmas; the physical properties of such plasmas; the experimental or theoretical methods of exploring or explaining them; fusion reactor physics; reactor concepts; fusion technologies. The key to scope acceptability is now '....significant advances....' rather than any particular area of controlled thermonuclear fusion research. It is hoped that this will make scope decisions easier for the Nuclear Fusion office, the referees and the Editor.The Nuclear Fusion journal has continued to make an important contribution to the research programme and has maintained its position as the leading journal in the field. This is underlined by the fact that Nuclear Fusion has received an impact factor of 4.270, as listed in ISI's 2009 Science Citation Index. The journal depends entirely on its authors and referees and so I would like to thank them all for their work in 2010 and look forward to a continuing, successful collaboration in 2011. Refereeing The Nuclear Fusion editorial office understands how much effort is required of our referees. The Editorial Board decided that an expression of thanks to our most loyal referees is appropriate and so, since January 2005, we have been offering the top ten most active referees over the past year a personal subscription to Nuclear Fusion with electronic access for one year, free of charge. This year, two of the top referees have reviewed four or more manuscripts in the period November 2009 to November 2010 and provided particularly detailed advice to the authors. We have excluded our Board Members, Guest Editors of special editions and those referees who were already listed in the last four years. Guest Editors' work on papers submitted to their special issues is also excluded from consideration. The following people have been selected: Osamu Naito, Japan Atomic Energy Agency, Naka, Japan Masahiro Kobayashi, National Institute for Fusion Science, Toki, Japan Duccio Testa, Lausanne Federal Polytechnic University, Switzerland Vladimir Pustovitov, Russian Research Centre, Kurchatov Insitute, Russia Christopher Holland, University of California at San Diego, USA Yuri Gribov, ITER International Organisation, Cadarache, France Eriko Jotaki, Kyushu University, Japan Sven Wiesen, Jülich Research Centre, Germany Viktor S. Marchenko, Ukraine National Academy of Sciences, Ukraine Richard Stephens, General Atomics, USA In addition, there is a group of several hundred referees who have helped us in the past year to maintain the high scientific standard of Nuclear Fusion. At the end of this issue we give the full list of all referees for 2010. Our thanks to them! Authors The winner of the 2010 Nuclear Fusion Award was J.E. Rice et al for the paper entitled 'Inter-machine comparison of intrinsic toroidal rotation in tokamaks' (2007 Nucl. Fusion 47 1618-24). The prize was awarded at the Fusion Energy Conference in Daejeon, together with the 2009 Nuclear Fusion Award to Steve Sabbagh. The Board of Editors Roger Weynants retired as a member of the Board of Editors in 2010. On behalf of the Nuclear Fusion office and the Chairman of the Board, Mitsuru Kikuchi, I would like to thank him for his effort in support of the journal; Roger was one of the most active members of the Board and his balanced and competent advice was extremely valuable on many difficult decisions. At the same time we welcome Tony Donne whom I am sure does not need any introduction to the readers of Nuclear Fusion; I am confident he can only further the success of the journal. The Nuclear Fusion office and IOP Publishing Just as the journal depends on the authors and referees, so its success is also due to the tireless and largely unsung efforts of the Nuclear Fusion office in Vienna and IOP Publishing in Bristol. I would like to express my personal thanks to Maria Bergamini-Roedler, Katja Haslinger, Sophy Le Masurier, Yasmin McGlashan, Caroline Wilkinson, Sarah Ryder, Katie Gerrard and Stephanie Kent for the support that they have given to me, the authors and the referees. Season's greetings I would like to wish our readers, authors, referees and Board of Editors season's greetings and thank them for their contributions to Nuclear Fusion in 2010.

CALL FOR PAPERS: Special cluster issue on `Experimental studies of zonal flow and turbulence'

NASA Astrophysics Data System (ADS)

Itoh, S.-I.

2005-07-01

Plasma Physics and Controlled Fusion (PPCF) invites submissions on the topic of `Experimental studies of zonal flow and turbulence', for consideration for a special topical cluster of articles to be published early in 2006. The topical cluster will be published in an issue of PPCF, combined with regular articles. The Guest Editor for the special cluster will be S-I Itoh, Kyushu University, Japan. There has been remarkable progress in the area of structure formation by turbulence. One of the highlights has been the physics of zonal flow and drift wave turbulence in toroidal plasmas. Extensive theoretical as well as computational studies have revealed the various mechanisms in turbulence and zonal flows. At the same time, experimental research on the zonal flow, geodesic acoustic modes and generation of global electric field by turbulence has evolved rapidly. Fast growth in reports of experimental results has stimulated further efforts to develop increased knowledge and systematic understanding. Each paper considered for the special cluster should describe the present research status and new scientific knowledge/results from the authors on experimental studies of zonal flow, geodesic acoustic modes and generation of electric field by turbulence (including studies of Reynolds-Maxwell stresses, etc). Manuscripts submitted to this special cluster in Plasma Physics and Controlled Fusion will be refereed according to the normal criteria and procedures of the journal. The Guest Editor guides the progress of the cluster from the initial open call, through the standard refereeing process, to publication. To be considered for inclusion in the special cluster, articles must be submitted by 2 September 2005 and must clearly state `for inclusion in the Turbulent Plasma Cluster'. Articles submitted after this deadline may not be included in the cluster issue but may be published in a later issue of the journal. Please submit your manuscript electronically via our web site at www.iop.org/journals/ppcf or by e-mail to mailto:ppcf@iop.org. Electronic submissions are encouraged but if you wish to submit a hard copy of your article then please send your typescript, a set of original figures and a covering letter to: The Publishing Administrator Plasma Physics and Controlled Fusion Institute of Physics Publishing Dirac House Temple Back Bristol BS1 6BE UK Further information on how to submit may be obtained on request by e-mailing the journal at the above address. Alternatively, visit the homepage of the journal (www.iop.org/journals/ppcf).

Special issue on coherent states: mathematical and physical aspects Special issue on coherent states: mathematical and physical aspects

NASA Astrophysics Data System (ADS)

Twareque Ali, Syed; Antoine, Jean-Pierre; Bagarello, Fabio; Gazeau, Jean-Pierre

2011-07-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and Theoretical dedicated to coherent states. The motivation behind this special issue is to gather in a single comprehensive volume the main aspects (past and present), latest developments, different viewpoints and directions being followed in this multidisciplinary field. Given the impressive development of the field in the past two decades, the topicality of such a volume can hardly be overemphasized. We strongly believe that such a special issue could become a particularly valuable reference for the broad scientific community working in mathematical and theoretical physics, as well as in signal processing and mathematics. Editorial policy The Guest Editors for this issue will be Syed Twareque Ali, Jean-Pierre Antoine, Fabio Bagarello and Jean-Pierre Gazeau. Potential topics include, but are not limited to, developments in the theory and applications of coherent states in: quantum optics, optomechanics, Bose-Einstein condensates quantum information, quantum measurement signal processing quantum gravity pseudo-Hermitian quantum mechanics supersymmetric quantum mechanics non-commutative quantum mechanics quantization theory harmonic and functional analysis operator theory Berezin-Toeplitz operators, PT-symmetric operators holomorphic representation theory, reproducing kernel spaces generalization of coherent states All contributions will be refereed and processed according to the usual procedure of the journal. Papers should report original and significant research that has not already been published. Guidelines for preparation of contributions The deadline for contributed papers will be 31 October 2011. This deadline will allow the special issue to appear before the end of May 2012 There is a nominal page limit of 15 printed pages per contribution (invited review papers can be longer). For papers exceeding this limit, the Guest Editors reserve the right to request a reduction in length. Further advice on publishing your work in Journal of Physics A: Mathematical and Theoretical may be found at iopscience.iop.org/jphysa. Contributions to the special issue should be submitted by web upload via authors.iop.org/, or by email to jphysa@iop.org, quoting `JPhysA Special issue on coherent states: mathematical and physical aspects'. Submissions should ideally be in standard LaTeX form. Please see the website for further information on electronic submissions. All contributions should be accompanied by a read-me file or covering letter giving the postal and e-mail addresses for correspondence. The Publishing Office should be notified of any subsequent change of address. The special issue will be published in the print and online versions of the journal.

Special issue on coherent states: mathematical and physical aspects Special issue on coherent states: mathematical and physical aspects

NASA Astrophysics Data System (ADS)

Twareque Ali, Syed; Antoine, Jean-Pierre; Bagarello, Fabio; Gazeau, Jean-Pierre

2011-06-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and Theoretical dedicated to coherent states. The motivation behind this special issue is to gather in a single comprehensive volume the main aspects (past and present), latest developments, different viewpoints and directions being followed in this multidisciplinary field. Given the impressive development of the field in the past two decades, the topicality of such a volume can hardly be overemphasized. We strongly believe that such a special issue could become a particularly valuable reference for the broad scientific community working in mathematical and theoretical physics, as well as in signal processing and mathematics. Editorial policy The Guest Editors for this issue will be Syed Twareque Ali, Jean-Pierre Antoine, Fabio Bagarello and Jean-Pierre Gazeau. Potential topics include, but are not limited to, developments in the theory and applications of coherent states in: quantum optics, optomechanics, Bose-Einstein condensates quantum information, quantum measurement signal processing quantum gravity pseudo-Hermitian quantum mechanics supersymmetric quantum mechanics non-commutative quantum mechanics quantization theory harmonic and functional analysis operator theory Berezin-Toeplitz operators, PT-symmetric operators holomorphic representation theory, reproducing kernel spaces generalization of coherent states All contributions will be refereed and processed according to the usual procedure of the journal. Papers should report original and significant research that has not already been published. Guidelines for preparation of contributions The deadline for contributed papers will be 31 October 2011. This deadline will allow the special issue to appear before the end of May 2012 There is a nominal page limit of 15 printed pages per contribution (invited review papers can be longer). For papers exceeding this limit, the Guest Editors reserve the right to request a reduction in length. Further advice on publishing your work in Journal of Physics A: Mathematical and Theoretical may be found at iopscience.iop.org/jphysa. Contributions to the special issue should be submitted by web upload via authors.iop.org/, or by email to jphysa@iop.org, quoting `JPhysA Special issue on coherent states: mathematical and physical aspects'. Submissions should ideally be in standard LaTeX form. Please see the website for further information on electronic submissions. All contributions should be accompanied by a read-me file or covering letter giving the postal and e-mail addresses for correspondence. The Publishing Office should be notified of any subsequent change of address. The special issue will be published in the print and online versions of the journal.

CALL FOR PAPERS: Progress in Supersymmetric Quantum Mechanics

NASA Astrophysics Data System (ADS)

2003-12-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and General dedicated to the subject of Supersymmetric Quantum Mechanics as featured in the International Conference in Supersymmetric Quantum Mechanics (PSQM03), 15--19 July 2003, University of Valladolid, Spain (http://metodos.fam.cie.uva.es/~susy_qm_03/). Participants at that meeting, as well as other researchers working in this area or in related fields, are invited to submit a research paper to this issue. The Editorial Board has invited Irina Areféva, David J Fernández, Véronique Hussin, Javier Negro, Luis M Nieto and Boris F Samsonov to act as Guest Editors for the special issue. Their criteria for acceptance of contributions are as follows: bullet The subject of the paper should be in the general area covered by the PSQM03 conference. bullet Contributions will be refereed and processed according to the usual mechanisms of the journal. bullet Papers should present substantial new results (they should not be simply reviews of authors' own work that is already published elsewhere). The guidelines for the preparation of contributions are as follows: bullet DEADLINE for submission of contributions is 15 January 2004. This deadline will allow the special issue to appear in approximately September 2004. bullet There is a page limit of 15 pages per research contribution. Further advice on publishing your work in Journal of Physics A: Mathematical and General may be found at www.iop.org/Journals/jphysa. bullet Contributions to the special issue should if possible be submitted electronically at www.iop.org/Journals/jphysa or by e-mail to jphysa@iop.org, quoting `JPhysA special issue --- PSQM03'. Submissions should ideally be in either standard LaTeX form or Microsoft Word. Please see the web site for further information on electronic submissions. bullet Authors unable to submit by email may send hard copy contributions to: Journal of Physics A, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK, enclosing the electronic code if available and mentioning `PSQM03 special issue'. bullet All contributions should be accompanied by a readme file or covering letter giving the postal and e-mail addresses for correspondence. Any subsequent change of address should be notified to the publishing office. The corresponding author of each contribution will receive a complimentary copy of the issue. Irina Areféva, David J Fernández, Véronique Hussin, Javier Negro, Luis M Nieto and Boris F Samsonov Guest Editors

Computational Calorimetry: High-Precision Calculation of Host–Guest Binding Thermodynamics

PubMed Central

2015-01-01

We present a strategy for carrying out high-precision calculations of binding free energy and binding enthalpy values from molecular dynamics simulations with explicit solvent. The approach is used to calculate the thermodynamic profiles for binding of nine small molecule guests to either the cucurbit[7]uril (CB7) or β-cyclodextrin (βCD) host. For these systems, calculations using commodity hardware can yield binding free energy and binding enthalpy values with a precision of ∼0.5 kcal/mol (95% CI) in a matter of days. Crucially, the self-consistency of the approach is established by calculating the binding enthalpy directly, via end point potential energy calculations, and indirectly, via the temperature dependence of the binding free energy, i.e., by the van’t Hoff equation. Excellent agreement between the direct and van’t Hoff methods is demonstrated for both host–guest systems and an ion-pair model system for which particularly well-converged results are attainable. Additionally, we find that hydrogen mass repartitioning allows marked acceleration of the calculations with no discernible cost in precision or accuracy. Finally, we provide guidance for accurately assessing numerical uncertainty of the results in settings where complex correlations in the time series can pose challenges to statistical analysis. The routine nature and high precision of these binding calculations opens the possibility of including measured binding thermodynamics as target data in force field optimization so that simulations may be used to reliably interpret experimental data and guide molecular design. PMID:26523125

Equilibrium isotope effects on noncovalent interactions in a supramolecular host-guest system.

PubMed

Mugridge, Jeffrey S; Bergman, Robert G; Raymond, Kenneth N

2012-02-01

The self-assembled supramolecular complex [Ga(4)L(6)](12-) (1; L = 1,5-bis[2,3-dihydroxybenzamido]naphthalene) can act as a molecular host in aqueous solution and bind cationic guest molecules to its highly charged exterior surface or within its hydrophobic interior cavity. The distinct internal cavity of host 1 modifies the physical properties and reactivity of bound guest molecules and can be used to catalyze a variety of chemical transformations. Noncovalent host-guest interactions in large part control guest binding, molecular recognition and the chemical reactivity of bound guests. Herein we examine equilibrium isotope effects (EIEs) on both exterior and interior guest binding to host 1 and use these effects to probe the details of noncovalent host-guest interactions. For both interior and exterior binding of a benzylphosphonium guest in aqueous solution, protiated guests are found to bind more strongly to host 1 (K(H)/K(D) > 1) and the preferred association of protiated guests is driven by enthalpy and opposed by entropy. Deuteration of guest methyl and benzyl C-H bonds results in a larger EIE than deuteration of guest aromatic C-H bonds. The observed EIEs can be well explained by considering changes in guest vibrational force constants and zero-point energies. DFT calculations further confirm the origins of these EIEs and suggest that changes in low-frequency guest C-H/D vibrational motions (bends, wags, etc.) are primarily responsible for the observed EIEs. © 2011 American Chemical Society

Effect of guest drug character encapsulated in the cavity and intermolecular spaces of γ-cyclodextrins on the dissolution property of ternary γ-cyclodextrin complex.

PubMed

Liu, Nan; Higashi, Kenjirou; Ueda, Keisuke; Moribe, Kunikazu

2017-10-15

Various ternary Guest 2/(Guest 1/γ-cyclodextrin (CD)) complexes were prepared using a cogrinding and subsequent heating method, wherein Guest 1 was incorporated in the cavity of γ-CD and Guest 2 was incorporated into the intermolecular spaces between γ-CD columns. Dissolution fluxes of Guest 1 and Guest 2 from all ternary complexes were almost identical. The dissolution flux of flurbiprofen (Guest 1) from the ternary complexes depended on the solubility of Guest 2 drugs (naproxen

KSC-2012-4572

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, Lt. Gov. Jennifer Carroll R-Fla. addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4582

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, U.S. Sen. Bill Nelson D-Fla. addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4571

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, Space Florida President Frank DiBello addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard County. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2014-3145

NASA Image and Video Library

2014-07-08

CAPE CANAVERAL, Fla. -- In the KSC Training Auditorium at NASA's Kennedy Space Center in Florida, Center Director Robert Cabana makes the opening remarks at a special event marking the 50th anniversary of the Civil Rights Act of 1964. Dr. Mary Frances Berry, an award-winning civil rights activist and former member of the U.S. Commission on Civil Rights, was the guest speaker. The event was presented by Kennedy's Office of Diversity and Equal Opportunity. For more information on Kennedy Space Center, visit http://www.nasa.gov/kennedy. Photo credit: NASA/Kim Shiflett

Simulation optimization of spherical non-polar guest recognition by deep-cavity cavitands

PubMed Central

Wanjari, Piyush P.; Gibb, Bruce C.; Ashbaugh, Henry S.

2013-01-01

Biomimetic deep-cavity cavitand hosts possess unique recognition and encapsulation properties that make them capable of selectively binding a range of non-polar guests within their hydrophobic pocket. Adamantane based derivatives which snuggly fit within the pocket of octa-acid deep cavity cavitands exhibit some of the strongest host binding. Here we explore the roles of guest size and attractiveness on optimizing guest binding to form 1:1 complexes with octa-acid cavitands in water. Specifically we simulate the water-mediated interactions of the cavitand with adamantane and a range of simple Lennard-Jones guests of varying diameter and attractive well-depth. Initial simulations performed with methane indicate hydrated methanes preferentially reside within the host pocket, although these guests frequently trade places with water and other methanes in bulk solution. The interaction strength of hydrophobic guests increases with increasing size from sizes slightly smaller than methane to Lennard-Jones guests comparable in size to adamantane. Over this guest size range the preferential guest binding location migrates from the bottom of the host pocket upwards. For guests larger than adamantane, however, binding becomes less favorable as the minimum in the potential-of-mean force shifts to the cavitand face around the portal. For a fixed guest diameter, the Lennard-Jones well-depth is found to systematically shift the guest-host potential-of-mean force to lower free energies, however, the optimal guest size is found to be insensitive to increasing well-depth. Ultimately our simulations show that adamantane lies within the optimal range of guest sizes with significant attractive interactions to match the most tightly bound Lennard-Jones guests studied. PMID:24359375

Grammar, Punctuation, and Capitalization: a Handbook for Technical Writers and Editors

NASA Technical Reports Server (NTRS)

Mccaskill, Mary K.

1990-01-01

Writing problems are addressed which are often encountered in technical documents and preferences are indicated (Langley's) when authorities do not agree. It is directed toward professional writers, editors, and proofreaders. Those whose profession lies in other areas (for example, research or management), but who have occasion to write or review others' writing will also find this information useful. A functional attitude toward grammar and punctuation is presented. Chapter 1 on grammar presents grammatical problems related to each part of speech. Chapter 2 on sentence structure concerns syntax, that is, effective arrangement of words, with emphasis on methods of revision to improve writing effectiveness. Chapter 3 addresses punctuation marks, presenting their function, situations when they are required or incorrect, and situations when they are appropriate but optional. Chapter 4 presents capitalization, which is mostly a matter of editorial style and preference rather than a matter of generally accepted rules. An index and glossary are included.

Submitting a manuscript for peer review – integrity, integrity, integrity

PubMed Central

Murphy, Sean P.; Bulman, Christopher; Shariati, Behnam; Hausmann, Laura

2014-01-01

Publication of a flawed manuscript has significant consequences for the progress of science. When this proves to be intentional, science is brought into disrepute and this puts even more pressure on the shrinking resources that society is prepared to invest in research. All scientific journals, including the Journal of Neurochemistry, have witnessed a marked increase in the number of corrections and retractions of published papers over the last 10 years, and uncovered a depressingly large number of fabrications amongst submitted manuscripts. The increase in number of ‘spoiled’ manuscripts reflects not only the improved methods that journals employ to detect plagiarism in its many forms, but also suggests a measurable change in the behavior of authors. The increased policing of submissions by reviewers, editors and publishers expends time and money. The sanctions imposed by journal editors on authors found guilty of malpractice are transparent and severe. PMID:24410543

Special Section on Synchronization in Nonlinear Science and Engineering

NASA Astrophysics Data System (ADS)

Ikeguchi, Tohru; Tokuda, Isao

Synchronization is a ubiquitous phenomenon of coupled nonlinear oscillators, commonly found in physics, engineering, biology, and other diverse disciplines. It has a long research history back to Christiaan Huygens, who discovered synchronized motion of two pendulum clocks in 1673. It is very easy to observe synchronization in our daily life: e.g., metronomes, candle fires, pet-bottle oscillators, saltwater oscillators, and so on(See, for example, experimental movies at http://www.youtube.com/user/IkeguchiLab?feature=watch). For the last few decades, significant development has been made from both theories and experiments on synchronization of coupled limit cycle oscillators as well as coupled chaotic oscillators. Applications have been also developed to communication technologies, controlling techniques, and data analysis. Combined with the idea from complex network theory, neuroscience, and systems biology, the research speed of synchronization has been even accelerated. This Special Section of NOLTA is primarily dedicated to the recent advanced development of basics and applications of synchronization in science and engineering. A number of qualified works is included, ranging from experimental study on synchronization of Huygens' system, analog circuits, and singing voice to applied study of synchronization in communication networks. One invited paper is devoted to comprehensive reviews on generalized synchronization of chaotic oscillators. On behalf of the editorial committee of the special section, the guest editors would like to express their sincere thanks to all the authors for their excellent contributions. In particular, they are grateful to Prof. Dr. Ulrich Parlitz for contributing his distinguished review article. They would also like to thank the reviewers and the members of the guest editorial committee, especially Prof. Hiroo Sekiya of Chiba University and the editorial staffs of the NOLTA journal, for their supports on publishing this Special Section.

Multiple Authorship in Scientific Manuscripts: Ethical Challenges, Ghost and Guest/Gift Authorship, and the Cultural/Disciplinary Perspective.

PubMed

Teixeira da Silva, Jaime A; Dobránszki, Judit

2016-10-01

Multiple authorship is the universal solution to multi-tasking in the sciences. Without a team, each with their own set of expertise, and each involved mostly in complementary ways, a research project will likely not advance quickly, or effectively. Consequently, there is a risk that research goals will not be met within a desired timeframe. Research teams that strictly scrutinize their modus operandi select and include a set of authors that have participated substantially in the physical undertaking of the research, in its planning, or who have contributed intellectually to the ideas or the development of the manuscript. Authorship is not an issue that is taken lightly, and save for dishonest authors, it is an issue that is decided collectively by the authors, usually in sync with codes of conduct established by their research institutes or national ministries of education. Science, technology and medicine (STM) publishers have, through independent, or sometimes coordinated efforts, also established their own sets of guidelines regarding what constitutes valid authorship. However, these are, for the greater part, merely guidelines. A previous and recent analysis of authorship definitions indicates that the definitions in place regarding authorship and its validity by many leading STM publishers is neither uniform, nor standard, despite several of them claiming to follow the guidelines as set forward by the International Committee of Medical Journal Editors or ICMJE. This disparity extends itself to ghost and guest authorship, two key authorship-related issues that are examined in this paper to assess the extent of discrepancies among the same set of STM publishers and what possible influence they might have on publishing ethics.

Plugging a Bipyridinium Axle into Multichromophoric Calix[6]arene Wheels Bearing Naphthyl Units at Different Rims.

PubMed

Orlandini, Guido; Ragazzon, Giulio; Zanichelli, Valeria; Degli Esposti, Lorenzo; Baroncini, Massimo; Silvi, Serena; Venturi, Margherita; Credi, Alberto; Secchi, Andrea; Arduini, Arturo

2017-02-01

Tris-( N -phenylureido)-calix[6]arene derivatives are heteroditopic non-symmetric molecular hosts that can form pseudorotaxane complexes with 4,4'-bipyridinium-type guests. Owing to the unique structural features and recognition properties of the calix[6]arene wheel, these systems are of interest for the design and synthesis of novel molecular devices and machines. We envisaged that the incorporation of photoactive units in the calixarene skeleton could lead to the development of systems the working modes of which can be governed and monitored by means of light-activated processes. Here, we report on the synthesis, structural characterization, and spectroscopic, photophysical, and electrochemical investigation of two calix[6]arene wheels decorated with three naphthyl groups anchored to either the upper or lower rim of the phenylureido calixarene platform. We found that the naphthyl units interact mutually and with the calixarene skeleton in a different fashion in the two compounds, which thus exhibit a markedly distinct photophysical behavior. For both hosts, the inclusion of a 4,4 ' -bipyridinium guest activates energy- and/or electron-transfer processes that lead to non-trivial luminescence changes.

Biological Investigation of the Stimulated Flapping Motions of the Moth, Manduca sexta

DTIC Science & Technology

2011-03-01

the sites of toxic chemical spills or damaged nuclear reactors (Alexander, 2002). Dr. Mark Reeder, Editor-in-Chief of the International Journal...Process The overall objective of research, using bio -inspired technology and techniques, is to develop clear scientific understanding about some of...it in a small container and submerging it in a bucket of ice for approximately 15 minutes, until the moth was unresponsive to stimulation.  Under

Fate of Articles That Warranted Retraction Due to Ethical Concerns: A Descriptive Cross-Sectional Study

PubMed Central

Elia, Nadia; Wager, Elizabeth; Tramèr, Martin R.

2014-01-01

Objective To study journals' responses to a request from the State Medical Association of Rheinland-Pfalz, Germany, to retract 88 articles due to ethical concerns, and to check whether the resulting retractions followed published guidelines. Design Descriptive cross-sectional study. Population 88 articles (18 journals) by the anaesthesiologist Dr. Boldt, that warranted retraction. Method According to the recommendations of the Committee on Publication Ethics, we regarded a retraction as adequate when a retraction notice was published, linked to the retracted article, identified the title and authors of the retracted article in its heading, explained the reason and who took responsibility for the retraction, and when the retracted article was freely accessible and marked using a transparent watermark that preserved original content. Two authors extracted data independently (January 2013) and contacted editors-in-chief and publishers for clarification in cases of inadequate retraction. Results Five articles (6%) fulfilled all criteria for adequate retraction. Nine (10%) were not retracted (no retraction notice published, full text article not marked). 79 (90%) retraction notices were published, 76 (86%) were freely accessible, but only 15 (17%) were complete. 73 (83%) full text articles were marked as retracted, of which 14 (16%) had an opaque watermark hiding parts of the original content, and 11 (13%) had all original content deleted. 59 (67%) retracted articles were freely accessible. One editor-in-chief stated personal problems as a reason for incomplete retractions, eight blamed their publishers. Two publishers cited legal threats from Dr. Boldt's co-authors which prevented them from retracting articles. Conclusion Guidelines for retracting articles are incompletely followed. The role of publishers in the retraction process needs to be clarified and standards are needed on marking retracted articles. It remains unclear who should check that retractions are done properly. Legal safeguards are required to allow retraction of articles against the wishes of authors. PMID:24465744

Funding source and conflict of interest disclosures by authors and editors in gastroenterology specialty journals revisited.

PubMed

Qureshi, J; Sud, A; Vakil, N

2012-03-01

A survey of journals published in the field of Gastroenterology conducted 5 years ago showed marked variability in reporting of conflicts of interest or funding sources in these journals. To re-examine reporting of conflicts of interest and funding sources for original articles and editorials in Gastroenterology and Hepatology journals. We evaluated all original articles and editorials in 15 leading journals (determined by impact factor-Thomson Reuter Science Citation Index) devoted to Gastroenterology and Hepatology for disclosures of conflicts and for editor's self disclosures. We examined each journal's editorial policy by contacting the journal directly if the information was not revealed on the Web site or print versions of the journal. Of the 1574 articles evaluated, a total of 1207 (77%) reported the presence or absence of a potential conflict of interest and 1047 (67%) reported the presence or absence of funding sources. A total of 3 of the 15 (20%) journals (American Journal of Gastroenterology, Gastroenterology, and Alimentary Pharmacology and Therapeutics reported the presence or absence of funding sources in all their published original articles. Only 5 of 15 (33%) journals (Gut, Gastrointestinal Endoscopy, American Journal of Gastroenterology, Neurogastroenterology & Motility and Alimentary Pharmacology and Therapeutics) publicly disclosed the conflicts of interest of the editors. (i) Funding sources and conflicts of interest are still reported variably in the GI literature. (ii) Editorials and review articles are influential, but have poor reporting of conflicts of interest. (iii) Editors of many journals still do not report their conflicts of interest. © 2012 Blackwell Publishing Ltd.

CALL FOR PAPERS: Special issue on the random search problem: trends and perspectives

NASA Astrophysics Data System (ADS)

da Luz, Marcos G. E.; Grosberg, Alexander Y.; Raposo, Ernesto P.; Viswanathan, Gandhi M.

2008-11-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and Theoretical dedicated to the subject of the random search problem. The motivation behind this special issue is to summarize in a single comprehensive publication, the main aspects (past and present), latest developments, different viewpoints and the directions being followed in this multidisciplinary field. We hope that such a special issue could become a particularly valuable reference for the broad scientific community working with the general random search problem. The Editorial Board has invited Marcos G E da Luz, Alexander Y Grosberg, Ernesto P Raposo and Gandhi M Viswanathan to serve as Guest Editors for the special issue. The general question of how to optimize the search for specific target objects in either continuous or discrete environments when the information available is limited is of significant importance in a broad range of fields. Representative examples include ecology (animal foraging, dispersion of populations), geology (oil recovery from mature reservoirs), information theory (automated researchers of registers in high-capacity database), molecular biology (proteins searching for their sites, e.g., on DNA ), etc. One reason underlying the richness of the random search problem relates to the `ignorance' of the locations of the randomly located `targets'. A statistical approach to the search problem can deal adequately with incomplete information and so stochastic strategies become advantageous. The general problem of how to search efficiently for randomly located target sites can thus be quantitatively described using the concepts and methods of statistical physics and stochastic processes. Scope Thus far, to the best of our knowledge, no recent textbook or review article in a physics journal has appeared on this topic. This makes a special issue with review and research articles attractive to those interested in acquiring a general introduction to the field. The subject can be approached from the perspective of different fields: ecology, networks, transport problems, molecular biology, etc. The study of the problem is particularly suited to the concepts and methods of statistical physics and stochastic processes; for example, fractals, random walks, anomalous diffusion. Discrete landscapes can be approached via graph theory, random lattices and complex networks. Such topics are regularly discussed in Journal of Physics A: Mathematical and Theoretical. All such aspects of the problem fall within the scope and focus of this special issue on the random search problem: trends and perspectives. Editorial policy All contributions to the special issue will be refereed in accordance with the refereeing policy of the journal. In particular, all research papers will be expected to be original work reporting substantial new results. The issue will also contain a number of review articles by invitation only. The Guest Editors reserve the right to judge whether a contribution fits the scope of the special issue. Guidelines for preparation of contributions We aim to publish the special issue in August 2009. To realize this, the DEADLINE for contributed papers is 15 January 2009. There is a page limit of 15 printed pages (approximately 9000 words) per contribution. For papers exceeding this limit, the Guest Editors reserve the right to request a reduction in length. Further advice on document preparation can be found at www.iop.org/Journals/jphysa. Contributions to the special issue should if possible be submitted electronically by web upload at www.iop.org/Journals/jphysa, or by email to jphysa@iop.org, quoting 'J. Phys. A Special Issue— Random Search Problem'. Please state whether the paper has been invited or is contributed. Submissions should ideally be in standard LaTeX form. Please see the website for further information on electronic submissions. Authors unable to submit electronically may send hard-copy contributions to: Publishing Administrators, Journal of Physics A, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK, enclosing electronic code on CD if available and quoting 'J. Phys. A Special Issue—Random Search Problem'. All contributions should be accompanied by a read-me file or covering letter giving the postal and e-mail addresses for correspondence. The Publishing Office should be notified of any subsequent change of address. This special issue will be published in the paper and online version of the journal. The corresponding author of each contribution will receive a complimentary copy of the issue.

Ten Years of Simulation in Healthcare: A Thematic Analysis of Editorials.

PubMed

Nestel, Debra

2017-10-01

In this commentary, I review 38 articles published as editorials in Simulation in Healthcare from inception to April 2016. Of the 27 authors, there was a predominance of medical doctors (63%), male authors (67%), and work originating in the United States (86%). The founding Editor-in-Chief Dr David Gaba contributed to half of the editorials. Using inductive thematic analysis, the following five themes were identified: "embedding" simulation, simulation responding to clinical practice, educational considerations for simulation, research practices, and communicating leadership and scholarship about the community. After thematic analysis, the theoretical notion of communities of practice was used to make further meaning of the themes. This theorizing process reveals that editorial content aligns with the features of an evolving community of practice. The editorials seem to have responded to and shaped contemporary simulation practices. The editorial is a powerful forum in which to frame issues relevant to the healthcare simulation community. As the founding Editor-in-Chief, Gaba has made an extraordinary contribution to the Society for Simulation in Healthcare, in these editorials and the broader healthcare simulation community. Under the leadership of the Editor-in-Chief, Dr Mark Scerbo, I am confident that the editorial voice will continue in the true spirit of scholarship.

Incorporation of large guest molecules into liposomes via chemical reactions in lipid membranes.

PubMed

Tsuchiya, Yuki; Sugikawa, Kouta; Ueda, Masafumi; Ikeda, Atsushi

2017-02-22

The incorporation of hydrophobic guest molecules into lipid membranes by the exchange of the guest molecule from a cyclodextrin (CDx) complex to a liposome is limited to guest molecules that can be included in CDxs. To solve this problem, large guest molecules were incorporated into liposomes by chemical reactions of guest molecules in lipid membranes. Stable lipid-membrane-incorporated fullerene derivatives with large substituent(s) were prepared by Diels-Alder reactions in lipid membranes.

Double level selection in a constitutional dynamic library of coordination driven supramolecular polygons.

PubMed

Rancan, Marzio; Tessarolo, Jacopo; Casarin, Maurizio; Zanonato, Pier Luigi; Quici, Silvio; Armelao, Lidia

2014-07-21

A constitutional dynamic library (CDL) of Cu(II) metallo-supramolecular polygons has been studied as a bench test to examine an interesting selection case based on molecular recognition. Sorting of the CDL polygons is achieved through a proper guest that is hosted into the triangular metallo-macrocycle constituent. Two selection mechanisms are observed, a guest induced path and a guest templated self-assembly (virtual library approach). Remarkably, the triangular host can accommodate several guests with a degree of selectivity ranging from ∼1 to ∼10(4) for all possible guest pairs. A double level selection operates: guests drive the CDL toward the triangular polygon, and, at the same time, this is able to pick a specific guest from a set of competitive molecules, according to a selectivity-affinity correlation. Association constants of the host-guest systems have been determined. Guest competition and exchange studies have been analyzed through variable temperature UV-Vis absorption spectroscopy and single crystal X-ray diffraction studies. Molecular structures and electronic properties of the triangular polygon and of the host-guest systems also have been studied by means of all electrons density functional theory (DFT) and time-dependent density functional theory (TDDFT) calculations including dispersive contributions. DFT outcomes ultimately indicate the dispersive nature of the host-guest interactions, while TDDFT results allow a thorough assignment of the host and host-guests spectral features.

Introduction to three decades of family psychology: Perspectives toward the future.

PubMed

Fiese, Barbara H

2017-02-01

This article introduces the 30th anniversary of the Journal of Family Psychology (JFP) . In addition it marks the 125th anniversary of publications by the American Psychological Association. In recognition of this milestone the editorial team has invited the past editors of the journal to write brief reflections on the field and commenting on their vision for the future of the field. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

KSC-04PD-2223

NASA Technical Reports Server (NTRS)

2004-01-01

KENNEDY SPACE CENTER, FLA. Astronaut Mark Polansky (left) visits the Life Sciences Lab at KSC where a demonstration of equipment is underway during Spaceport Super Safety and Health Day. . The event included guest speakers Dr. Pamela Peeke, Navy Com. Stephen E. Iwanowicz, NASAs Dr. Kristine Calderon and Olympic-great Bruce Jenner. In addition, many vendors exhibits were on display for employees. Super Safety and Health Day was initiated at KSC in 1998 to increase awareness of the importance of safety and health among the government and contractor workforce. The theme for this years event was Safety and Health: A Winning Combination.

An in Vivo Investigation of Brain Inflammation in Gulf War Illness with Integrated PET/MR Imaging

DTIC Science & Technology

2015-10-01

Research  Assistant   Researcher  Identifier  (ORCID  ID):   N /A   Nearest  Person  Month  Worked:   3   Contribution  to...Izquierdo-Garcia,1 Ru-Rong Ji,2,6 Misha Riley,1 Ajay D. Wasan,2,4,7 Nicole R. Zürcher,1 Daniel S. Albrecht,1 Mark G. Vangel,1 Bruce R. Rosen,1,8 Vitaly ...12 | 5 by guest on January 12, 2015 D ow nloaded from 18 Figure 2 Whole-brain voxel-wise analyses. (A) Median SUVR map from healthy controls ( n = 9

ICPS Turnover GSDO Employee Event

NASA Image and Video Library

2017-11-07

Kennedy Space Center Associate Director Kelvin Manning, right, speaks with a guest during a ceremony marking NASA's Spacecraft/Payload Integration and Evolution (SPIE) organization formally turning over processing of the Space Launch System (SLS) rocket's Interim Cryogenic Propulsion Stage (ICPS) to the center's Ground Systems Development and Operations (GSDO) Directorate. The ICPS is the first integrated piece of flight hardware to arrive in preparation for the uncrewed Exploration Mission-1. With the Orion attached, the ICPS sits atop the SLS rocket and will provide the spacecraft with the additional thrust needed to travel tens of thousands of miles beyond the Moon.

KSC-2012-4578

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, Space Florida President Frank DiBello joined other space executives and elected officials in addressing guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard County. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4580

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, Bill Moore, chief operating officer of the Kennedy Space Center Visitor Complex, addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard County. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4576

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, XCOR Chief Operating Officer Andrew Nelson addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard. Space Florida President Frank DiBello is seated to the right. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4573

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, Center Director Bob Cabana addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard. Space Florida President Frank DiBello is seated to the right. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4581

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, Todd Lindner, senior manager of Aviation Planning and Spaceport Development for the Jacksonville Aviation Authority, addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4575

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, XCOR President Jeff Greason addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard. Space Florida President Frank DiBello is seated to the right. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

Environment-Dependent Guest Exchange in Supramolecular Hosts

PubMed Central

2015-01-01

Dynamic exchange of guest molecules, encapsulated in host assemblies, is a phenomenon in supramolecular chemistry that has important implications in several applications. While the mechanism of exchange in micellar assemblies has been previously investigated, the effect of host and guest environment upon the guest-exchange dynamics has received little attention, if any. In this paper, we study the guest-exchange mechanism in pH-sensitive nanogels along with pH-insensitive nanogels as a control. By systematically comparing the behavior of these nanogels, we show that size, concentration, and hydrophobicity can all play a critical role in guest-exchange dynamics. More importantly, these studies reveal that the dominant mechanism of guest exchange can intimately depend on environmental factors. PMID:25244305

Responsive Guest Encapsulation of Dynamic Conjugated Microporous Polymers.

PubMed

Xu, Lai; Li, Youyong

2016-06-30

The host-guest complexes of conjugated microporous polymers encapsulating C60 and dye molecules have been investigated systematically. The orientation of guest molecules inside the cavities, have different terms: inside the open cavities of the polymer, or inside the cavities formed by packing different polymers. The host backbone shows responsive dynamic behavior in order to accommodate the size and shape of incoming guest molecule or guest aggregates. Simulations show that the host-guest binding of conjugated polymers is stronger than that of non-conjugated polymers. This detailed study could provide a clear picture for the host-guest interaction for dynamic conjugated microporous polymers. The mechanism obtained could guide designing new conjugated microporous polymers.

A tutorial for software development in quantitative proteomics using PSI standard formats☆

PubMed Central

Gonzalez-Galarza, Faviel F.; Qi, Da; Fan, Jun; Bessant, Conrad; Jones, Andrew R.

2014-01-01

The Human Proteome Organisation — Proteomics Standards Initiative (HUPO-PSI) has been working for ten years on the development of standardised formats that facilitate data sharing and public database deposition. In this article, we review three HUPO-PSI data standards — mzML, mzIdentML and mzQuantML, which can be used to design a complete quantitative analysis pipeline in mass spectrometry (MS)-based proteomics. In this tutorial, we briefly describe the content of each data model, sufficient for bioinformaticians to devise proteomics software. We also provide guidance on the use of recently released application programming interfaces (APIs) developed in Java for each of these standards, which makes it straightforward to read and write files of any size. We have produced a set of example Java classes and a basic graphical user interface to demonstrate how to use the most important parts of the PSI standards, available from http://code.google.com/p/psi-standard-formats-tutorial. This article is part of a Special Issue entitled: Computational Proteomics in the Post-Identification Era. Guest Editors: Martin Eisenacher and Christian Stephan. PMID:23584085

The amino acid's backup bone - storage solutions for proteomics facilities.

PubMed

Meckel, Hagen; Stephan, Christian; Bunse, Christian; Krafzik, Michael; Reher, Christopher; Kohl, Michael; Meyer, Helmut Erich; Eisenacher, Martin

2014-01-01

Proteomics methods, especially high-throughput mass spectrometry analysis have been continually developed and improved over the years. The analysis of complex biological samples produces large volumes of raw data. Data storage and recovery management pose substantial challenges to biomedical or proteomic facilities regarding backup and archiving concepts as well as hardware requirements. In this article we describe differences between the terms backup and archive with regard to manual and automatic approaches. We also introduce different storage concepts and technologies from transportable media to professional solutions such as redundant array of independent disks (RAID) systems, network attached storages (NAS) and storage area network (SAN). Moreover, we present a software solution, which we developed for the purpose of long-term preservation of large mass spectrometry raw data files on an object storage device (OSD) archiving system. Finally, advantages, disadvantages, and experiences from routine operations of the presented concepts and technologies are evaluated and discussed. This article is part of a Special Issue entitled: Computational Proteomics in the Post-Identification Era. Guest Editors: Martin Eisenacher and Christian Stephan. Copyright © 2013. Published by Elsevier B.V.

Critical ethnography: An under-used research methodology in neuroscience nursing.

PubMed

Ross, Cheryl; Rogers, Cath; Duff, Diane

2016-01-01

Critical ethnography is a qualitative research method that endeavours to explore and understand dominant discourses that are seen as being the 'right' way to think, see, talk about or enact a particular 'action' or situation in society and recommend ways to re-dress social power inequities. In health care, vulnerable populations, including many individuals who have experienced neurological illnesses or injuries that leave them susceptible to the influence of others, would be suitable groups for study using critical ethnography methodology. Critical ethnography has also been used to study workplace culture. While ethnography has been effectively used to underpin other phenomena of interest to neuroscience nurses, only one example of the use of critical ethnography exists in the published literature related to neuroscience nursing. In our "Research Corner" in this issue of the Canadian Journal of Neuroscience Nursing (CJNN) our guest editors, Dr. Cheryl Ross and Dr. Cath Rogers will briefly highlight the origins of qualitative research, ethnography, and critical ethnography and describe how they are used and, as the third author, I will discuss the relevance of critical ethnography findings for neuroscience nurses.

Virtual reality and physical rehabilitation: a new toy or a new research and rehabilitation tool?

PubMed Central

Keshner, Emily A

2004-01-01

Virtual reality (VR) technology is rapidly becoming a popular application for physical rehabilitation and motor control research. But questions remain about whether this technology really extends our ability to influence the nervous system or whether moving within a virtual environment just motivates the individual to perform. I served as guest editor of this month's issue of the Journal of NeuroEngineering and Rehabilitation (JNER) for a group of papers on augmented and virtual reality in rehabilitation. These papers demonstrate a variety of approaches taken for applying VR technology to physical rehabilitation. The papers by Kenyon et al. and Sparto et al. address critical questions about how this technology can be applied to physical rehabilitation and research. The papers by Sveistrup and Viau et al. explore whether action within a virtual environment is equivalent to motor performance within the physical environment. Finally, papers by Riva et al. and Weiss et al. discuss the important characteristics of a virtual environment that will be most effective for obtaining changes in the motor system. PMID:15679943

Structure-activity relationships in carbohydrates revealed by their hydration.

PubMed

Maugeri, Laura; Busch, Sebastian; McLain, Sylvia E; Pardo, Luis Carlos; Bruni, Fabio; Ricci, Maria Antonietta

2017-06-01

One of the more intriguing aspects of carbohydrate chemistry is that despite having very similar molecular structures, sugars have very different properties. For instance, there is a sensible difference in sweet taste between glucose and trehalose, even though trehalose is a disaccharide that comprised two glucose units, suggesting a different ability of these two carbohydrates to bind to sweet receptors. Here we have looked at the hydration of specific sites and at the three-dimensional configuration of water molecules around three carbohydrates (glucose, cellobiose, and trehalose), combining neutron diffraction data with computer modelling. Results indicate that identical chemical groups can have radically different hydration patterns depending on their location on a given molecule. These differences can be linked with the specific activity of glucose, cellobiose, and trehalose as a sweet substance, as building block of cellulose fiber, and as a bioprotective agent, respectively. This article is part of a Special Issue entitled "Recent Advances in Bionanomaterials" Guest Editors: Dr. Marie-Louise Saboungi and Dr. Samuel D. Bader. Copyright © 2016 Elsevier B.V. All rights reserved.

Selected contributions from the 9th International Conference on Tidal Sedimentology, November 2015, Puerto Madryn, Patagonia, Argentina: an introduction

NASA Astrophysics Data System (ADS)

Scasso, Roberto A.; Cuitiño, José I.

2017-08-01

This special issue of Geo-Marine Letters presents selected contributions from the 9th International Conference on Tidal Sedimentology held on 17-19 November 2015 in Puerto Madryn, Chubut Province, Patagonia, Argentina. The guest editors are the conference organizers Roberto A. Scasso and José I. Cuitiño. Gerardo M. Perillo was the head of the Scientific Committee. The conferences on tidal sedimentology have been traditionally held every 4 years. However, only 3 years separated the last conference held in Caen (France, 2012) from this conference. Increasing numbers of contributions and the growing interest in tidal sedimentation have been the reasons for shortening the inter-conference period. The 2015 conference served as a discussion forum focusing on advances in modern and ancient tidal sedimentation at different locations worldwide. The papers presented in this Special Issue provide a selective view of the latest research results, the main topics dealing with tidal hydrodynamics and sediment transport, tidal coastal morphodynamics, modern and ancient tidal sedimentation, geotechnical processes in tidal environments, and tidal basins, facies and reservoirs.

Multifaceted plasma membrane Ca(2+) pumps: From structure to intracellular Ca(2+) handling and cancer.

PubMed

Padányi, Rita; Pászty, Katalin; Hegedűs, Luca; Varga, Karolina; Papp, Béla; Penniston, John T; Enyedi, Ágnes

2016-06-01

Plasma membrane Ca(2+) ATPases (PMCAs) are intimately involved in the control of intracellular Ca(2+) concentration. They reduce Ca(2+) in the cytosol not only by direct ejection, but also by controlling the formation of inositol-1,4,5-trisphosphate and decreasing Ca(2+) release from the endoplasmic reticulum Ca(2+) pool. In mammals four genes (PMCA1-4) are expressed, and alternative RNA splicing generates more than twenty variants. The variants differ in their regulatory characteristics. They localize into highly specialized membrane compartments and respond to the incoming Ca(2+) with distinct temporal resolution. The expression pattern of variants depends on cell type; a change in this pattern can result in perturbed Ca(2+) homeostasis and thus altered cell function. Indeed, PMCAs undergo remarkable changes in their expression pattern during tumorigenesis that might significantly contribute to the unbalanced Ca(2+) homeostasis of cancer cells. This article is part of a Special Issue entitled: Calcium and Cell Fate. Guest Editors: Jacques Haiech, Claus Heizmann, Joachim Krebs, Thierry Capiod and Olivier Mignen. Copyright © 2015 Elsevier B.V. All rights reserved.

Learning through social interaction in game technology.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Waern, Annika; Raybourn, Elaine Marie

2005-05-01

The present ITSE journal special issue on 'Learning About Social Interaction through Gaming' is the result of an invitation to the attendees of a one-day workshop on 'Social Learning Through Gaming' co-organized by the guest editors and held at the Human Factors in Computing Systems (CHI) conference on April 26, 2004 in Vienna, Austria. CHI is one of the premiere conferences on human-computer interaction. CHI 2004 attracted hundreds of delegates from all over the world. The CHI workshop program results from a competitive selection process. The Social Learning through Gaming workshop was filled to capacity and attended by approximately 25more » participants from Europe and North America who submitted position papers that were refereed and selected for participation based on the relevancy and innovativeness of the research. The participants came together to share research on play, learning, games, interactive technologies, and what playing and designing games can teach us about social behaviors. The present special issue focuses on learning about social aspects through gaming: learning to socialize through games and learning games through social behavior.« less

Electronegative Guests in CoSb 3

DOE PAGES

Duan, Bo; Yang, Jiong; Salvador, James R.; ...

2016-04-19

Introducing guests into a host framework to form a so called inclusion compound can be used to design materials with new and fascinating functionalities. The vast majority of inclusion compounds have electropositive guests with neutral or negatively charged frameworks. Here, we show a series of electronegative guest filled skutterudites with inverse polarity. The strong covalent guest-host interactions observed for the electronegative group VIA guests, i.e., S and Se, feature a unique localized cluster vibration which significantly influences the lattice dynamics, together with the point-defect scattering caused by element substitutions, resulting in very low lattice thermal conductivity values. The findings ofmore » electronegative guests provide a new perspective for guest-filling in skutterudites, and the covalent filler/lattice interactions lead to an unusual lattice dynamics phenomenon which can be used for designing high-efficiency thermoelectric materials and novel functional inclusion compounds with open structures.« less

EDITORIAL: 50th anniversary issue

NASA Astrophysics Data System (ADS)

Beddoe, Alun H.

2006-07-01

In July 1956, 50 years ago, the first issue of Physics in Medicine and Biology (PMB) was published. It was subtitled The Journal of the Hospital Physicists' Association and published in association with the Philosophical Magazine by Taylor and Francis. Subscriptions were £1 per part or £3 10s for an annual subscription. The Editor, Professor J E Roberts, prefaced the first issue with a cautious editorial noting: The appearance of a new journal is usually greeted with mixed feelings by scientific workers, a common response being that there are far too many journals already. Justification for a new publication is only possible if there is a clearly defined gap in the publishing facilities available to workers in a particular scientific field.... Professor Roberts ended by seeking support from the scientific community for the new venture. He certainly got it! From a tentative few hundred pages in four issues a year for the first few years, the journal is now issued twice monthly with nearly 8000 pages expected in volume 51. In this anniversary issue we have invited some 28 senior authors to submit papers on a range of subjects spanning the discipline. We decided that to be an author one had to be old, but age was not to be the only criterion! Indeed readers will recognize all names as major contributors to both the development of medical physics and the success of PMB. Authors were not asked to write formal topical reviews of the state-of-the-art of the sub-disciplines which make up medical physics, but rather to present short historical reviews, didactic in style, perhaps highlighting the role of PMB in the development of their fields. Nevertheless, other than a page limit (which many subsequently ignored!) no formal format was imposed on authors, so what follows is a range of contributions from the almost conversational, personal statement to the more formal and familiar scientific paper. Whatever the writing style we are confident that readers will gain some appreciation of the development of our wide-ranging discipline over the last half century. Some readers may feel that one or two subjects have not been represented, and for that I can only apologise. We did ask for contributions to several other topics (for example radiation metrology and optical techniques) but inevitably there were authors who for various reasons were unable to meet the deadline. Inevitably we will also have missed contributions from excellent potential authors (who satisfied the age criterion!). As Guest Editor I must bear the responsibility for those omissions. While page limits do not permit me to discuss the contributions to this issue individually I would like to mention the first contribution by Dr J E (Bob) Burns. Dr Burns was on the Editorial Board in the early sixties working with the second Editor, Professor Sir Joseph Rotblat. Both in his article and in personal communications Dr Burns has emphasized the important role of Professor Rotblat in the early years. I did write to Professor Rotblat seeking a contribution from him but, sadly, received a reply saying that he was not well enough to contribute `at present'; he died a few weeks later at the age of 96 years (please refer to www.pugwash.org for tributes from Mikhail Gorbachev, Kofi Annan and many others). Dr Burns wrote a short note to me shortly after his death including the following comment which is reproduced below: Although many people have contributed to the success of PMB over the last 50 years it was Rotblat's restless energy, power of persuasion and already existing fame (he was well known both scientifically and to the public at the time) that enabled him to rescue the journal from an early death. After discussions with colleagues around the UK, including Dr Burns, and with the Editorial Board, we all felt that it would be highly appropriate to dedicate this anniversary issue to the memory of Professor Rotblat. Institute of Physics Publishing (IOP) took over the publishing of PMB in 1972, firstly on behalf of the Hospital Physicists' Association and then on behalf of the Institute of Physics and Engineering in Medicine (IPEM). I wish to pay tribute to the staff at the IOP Publishing Office for the continuing excellent quality and short publication times for articles appearing in PMB. There can be no doubt that this contributes to the popularity with authors and readers alike. It almost goes without saying but I should also thank all the contributors, referees, Editorial Board members and International Advisory Board members who have, collectively, made PMB the success that it is. For historical interest I list below the 11 editors of PMB since its inception. Three of these editors have contributed papers to this issue. 1956-1961 Professor J E Roberts, Middlesex Hospital, London 1961-1972 Professor Sir Joseph Rotblat, St Bartholomew's Hospital, London 1973-1978 Professor H A B Simons, Royal Free Hospital, London 1979-1982 Mr J Clifton, University College Hospital, London 1983-1985 Professor R P Parker, University of Leeds, Leeds 1986-1987 Dr M J Day, Newcastle General Hospital, Newcastle 1988-1991 Professor S C Lillicrap, Royal United Hospital, Bath 1992-1995 Professor B L Diffey, Dryburn Hospital, Durham 1996-1999 Professor M O Leach, Royal Marsden NHS Foundation Trust, London 2000-2005 Professor A H Beddoe, University Hospital, Birmingham 2006- Professor S Webb, Royal Marsden NHS Foundation Trust, London Finally, apart from noting the usual caveat that the Guest Editor, Editor-in Chief, IOP and IPEM take no responsibility for opinions expressed by authors, I would like to conclude by wishing Professor Steve Webb and future editors every success. While I may not be around for the centenary issue in July 2056 I have every reason to believe that it will be a good one.

Proceedings of the International Symposium on Subtypes of Muscarinic Receptors (5th), Held in Newport Beach, California, October 22-24, 1992.

DTIC Science & Technology

1993-02-22

to the development of new and better therapeutic agents &A well as agents useful to the U.S. Army Research and Development Command. As another mark...concerned. Accordingly, the publishers, the editorial board and editors, and their respective employees, officers and agents , accept no responsibility... covalent -labeling studies have suggested that ligands bind to a hydrophobic core of the receptors that is formed by multiple transmembrane (TM) domains

Overview (this manuscript is an overview of an ASTM symposium. The authors, John Sebroski and Mark Mason, of the overview were the co-chairs of the symposium and co-editors of the manuscripts submitted for ASTM peer review and subsequent publication in the technical proceedings for the symposium)

EPA Science Inventory

The Symposium on Developing Consensus Standards for Measuring Chemical Emissions from Spray Polyurethane Foam (SPF) Insulation was held on April 30th and May 1, 2015. Sponsored by ASTM Committee D22 on Air Quality, the symposium was held in Anaheim, CA, in conjunction with the st...

Translations on Western Europe, Number 1082

DTIC Science & Technology

1977-06-13

in television? The line is roughly marked out by the figure of Hans Jacobs, chief final editor of "Behind the News." A program which in the late 60* s ...succeeded in no longer making any decision of any importance since the late 50* s . A committee of Good Services, which concentrated itself, in the...Wallenberg held a similar press conference, at which he began by saying: "We have decided to start a new bank (the S -E Bank.) This time he was

Introduction to Computational Physics for Undergraduates

NASA Astrophysics Data System (ADS)

Zubairi, Omair; Weber, Fridolin

2018-03-01

This is an introductory textbook on computational methods and techniques intended for undergraduates at the sophomore or junior level in the fields of science, mathematics, and engineering. It provides an introduction to programming languages such as FORTRAN 90/95/2000 and covers numerical techniques such as differentiation, integration, root finding, and data fitting. The textbook also entails the use of the Linux/Unix operating system and other relevant software such as plotting programs, text editors, and mark up languages such as LaTeX. It includes multiple homework assignments.

Methods for associating or dissociating guest materials with a metal organic framework, systems for associating or dissociating guest materials within a series of metal organic frameworks, thermal energy transfer assemblies, and methods for transferring thermal energy

DOEpatents

McGrail, B. Peter; Brown, Daryl R.; Thallapally, Praveen K.

2016-08-02

Methods for releasing associated guest materials from a metal organic framework are provided. Methods for associating guest materials with a metal organic framework are also provided. Methods are provided for selectively associating or dissociating guest materials with a metal organic framework. Systems for associating or dissociating guest materials within a series of metal organic frameworks are provided. Thermal energy transfer assemblies are provided. Methods for transferring thermal energy are also provided.

Methods for associating or dissociating guest materials with a metal organic framework, systems for associating or dissociating guest materials within a series of metal organic frameworks, thermal energy transfer assemblies, and methods for transferring thermal energy

DOEpatents

McGrail, B. Peter; Brown, Daryl R.; Thallapally, Praveen K.

2014-08-05

Methods for releasing associated guest materials from a metal organic framework are provided. Methods for associating guest materials with a metal organic framework are also provided. Methods are provided for selectively associating or dissociating guest materials with a metal organic framework. Systems for associating or dissociating guest materials within a series of metal organic frameworks are provided. Thermal energy transfer assemblies are provided. Methods for transferring thermal energy are also provided.

Quantitative analysis of the guest-concentration dependence of the mobility in a disordered fluorene-arylamine host-guest system in the guest-to-guest regime

NASA Astrophysics Data System (ADS)

Nicolai, H. T.; Hof, A. J.; Lu, M.; Blom, P. W. M.; de Vries, R. J.; Coehoorn, R.

2011-11-01

The charge transport in a polyspirobifluorene derivative with copolymerized N,N,N',N'-tetraaryldiamino biphenyl (TAD) hole transport units is investigated as a function of the TAD content. For TAD concentrations larger than 5%, guest-to-guest transport is observed. It is demonstrated that in this regime the charge carrier density dependent mobility can be described consistently with the extended Gaussian disorder model, with a density of hopping sites which is proportional to the TAD concentration and comparable to the molecular density.

Plugging a Bipyridinium Axle into Multichromophoric Calix[6]arene Wheels Bearing Naphthyl Units at Different Rims

PubMed Central

Orlandini, Guido; Ragazzon, Giulio; Zanichelli, Valeria; Degli Esposti, Lorenzo; Baroncini, Massimo; Silvi, Serena; Venturi, Margherita; Arduini, Arturo

2017-01-01

Abstract Tris‐(N‐phenylureido)‐calix[6]arene derivatives are heteroditopic non‐symmetric molecular hosts that can form pseudorotaxane complexes with 4,4′‐bipyridinium‐type guests. Owing to the unique structural features and recognition properties of the calix[6]arene wheel, these systems are of interest for the design and synthesis of novel molecular devices and machines. We envisaged that the incorporation of photoactive units in the calixarene skeleton could lead to the development of systems the working modes of which can be governed and monitored by means of light‐activated processes. Here, we report on the synthesis, structural characterization, and spectroscopic, photophysical, and electrochemical investigation of two calix[6]arene wheels decorated with three naphthyl groups anchored to either the upper or lower rim of the phenylureido calixarene platform. We found that the naphthyl units interact mutually and with the calixarene skeleton in a different fashion in the two compounds, which thus exhibit a markedly distinct photophysical behavior. For both hosts, the inclusion of a 4,4′‐bipyridinium guest activates energy‐ and/or electron‐transfer processes that lead to non‐trivial luminescence changes. PMID:28168152

Re-conceptualizing the origins of life

NASA Astrophysics Data System (ADS)

Walker, Sara I.; Packard, N.; Cody, G. D.

2017-11-01

Over the last several hundred years of scientific progress, we have arrived at a deep understanding of the non-living world. We have not yet achieved an analogous, deep understanding of the living world. The origins of life is our best chance at discovering scientific laws governing life, because it marks the point of departure from the predictable physical and chemical world to the novel, history-dependent living world. This theme issue aims to explore ways to build a deeper understanding of the nature of biology, by modelling the origins of life on a sufficiently abstract level, starting from prebiotic conditions on Earth and possibly on other planets and bridging quantitative frameworks approaching universal aspects of life. The aim of the editors is to stimulate new directions for solving the origins of life. The present introduction represents the point of view of the editors on some of the most promising future directions. This article is part of the themed issue 'Reconceptualizing the origins of life'.

Utopia documents: linking scholarly literature with research data

PubMed Central

Attwood, T. K.; Kell, D. B.; McDermott, P.; Marsh, J.; Pettifer, S. R.; Thorne, D.

2010-01-01

Motivation: In recent years, the gulf between the mass of accumulating-research data and the massive literature describing and analyzing those data has widened. The need for intelligent tools to bridge this gap, to rescue the knowledge being systematically isolated in literature and data silos, is now widely acknowledged. Results: To this end, we have developed Utopia Documents, a novel PDF reader that semantically integrates visualization and data-analysis tools with published research articles. In a successful pilot with editors of the Biochemical Journal (BJ), the system has been used to transform static document features into objects that can be linked, annotated, visualized and analyzed interactively (http://www.biochemj.org/bj/424/3/). Utopia Documents is now used routinely by BJ editors to mark up article content prior to publication. Recent additions include integration of various text-mining and biodatabase plugins, demonstrating the system's ability to seamlessly integrate on-line content with PDF articles. Availability: http://getutopia.com Contact: teresa.k.attwood@manchester.ac.uk PMID:20823323

A molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics.

PubMed

Das, Subhadip; Baghel, Vikesh Singh; Roy, Sudip; Kumar, Rajnish

2015-04-14

One of the options suggested for methane recovery from natural gas hydrates is molecular replacement of methane by suitable guests like CO2 and N2. This approach has been found to be feasible through many experimental and molecular dynamics simulation studies. However, the long term stability of the resultant hydrate needs to be evaluated; the decomposition rate of these hydrates is expected to depend on the interaction between these guest and water molecules. In this work, molecular dynamics simulation has been performed to illustrate the effect of guest molecules with different sizes and interaction strengths with water on structure I (SI) hydrate decomposition and hence the stability. The van der Waals interaction between water of hydrate cages and guest molecules is defined by Lennard Jones potential parameters. A wide range of parameter spaces has been scanned by changing the guest molecules in the SI hydrate, which acts as a model gas for occupying the small and large cages of the SI hydrate. All atomistic simulation results show that the stability of the hydrate is sensitive to the size and interaction of the guest molecules with hydrate water. The increase in the interaction of guest molecules with water stabilizes the hydrate, which in turn shows a slower rate of hydrate decomposition. Similarly guest molecules with a reasonably small (similar to Helium) or large size increase the decomposition rate. The results were also analyzed by calculating the structural order parameter to understand the dynamics of crystal structure and correlated with the release rate of guest molecules from the solid hydrate phase. The results have been explained based on the calculation of potential energies felt by guest molecules in amorphous water, hydrate bulk and hydrate-water interface regions.

Binding of chemical warfare agent simulants as guests in a coordination cage: contributions to binding and a fluorescence-based response.

PubMed

Taylor, Christopher G P; Piper, Jerico R; Ward, Michael D

2016-05-07

Cubic coordination cages act as competent hosts for several alkyl phosphonates used as chemical warfare agent simulants; a range of cage/guest structures have been determined, contributions to guest binding analysed, and a fluorescent response to guest binding demonstrated.

The First Mediterranean Seminar on Science Writing, Editing and Publishing, Sarajevo, December 2-3, 2016.

PubMed

Masic, Izet; Donev, Doncho; Sinanovic, Osman; Jakovljevic, Miro; Zerem, Enver; Milosevic, Dejan B; Gajovic, Srecko; Gasparyan, Armen Yuri; Sokolovic, Sekib; Salkic, Nermin; Uzunovic, Selma; Dobric, Silva; Kurti, Floreta; Begic, Edin; Kurtcehajic, Admir

2016-12-01

The First Mediterranean Seminar on Science Writing, Editing & Publishing (SWEP 2016) was held in Sarajevo, Bosnia & Herzegovina from 2nd to 3rd December 2016. It was organized by Academy of Medical Sciences of Bosnia and Herzegovina, running concurrent sessions as part of its Annual Meeting titled " "Days of AMNuBiH - Theory and Practice in Science Communication and Scientometrics". Hotel Bosnia in the city centre was the chosen venue. On the first day, nineteen presentations on various issues of science writing and publication ethics were delivered by speakers from Croatia, Serbia, Macedonia, Albania, Bosnia & Herzegovina and the UK (Asim Kurjak, Milivoj Boranić, Doncho Donev, Osman Sinanović, Miro Jakovljević, Enver Zerem, Dejan Milošević, Silva Dobrić, Srećko Gajović, Izet Mašić, Armen Yuri Gasparyan, Šekib Sokolović, Nermin Salkić, Selma Uzunović, Admir Kurtčehajić, Edin Begić and Floreta Kurti). Each presentation had a take-home message for novice and seasoned authors, encountering numerous problems in non-Anglophone research environment. Lecturers, who were internationally recognized editors of regional journals, generously shared their experience of adhering to the best ethical guidance. Elegant presentations by Srećko Gajović (Editor-in-Chief of the Croatian Medical Journal) and Armen Yuri Gasparyan (past Chief Editor of the European Science Editing) showcased their accomplishments that strengthened ties between authors from all over the world. Gasparyan reflected on educational resources of editorial associations, such as the International Committee of Medical Journal Editors (ICMJE) and the Committee on Publication Ethics (COPE), and called not just to declare the adherence to, but also to enforce their ethical guidance in daily practice. Editors of Medical Archives, Croatian Medica Journal, Vojnosanitetski Pregled, Psychiatria Danubina, Acta Informatica Medica, Materia Socio-Medica, The Donald School Journal of Ultrasound in Obstretics and Gynecology, Acta Medica Saliniana and Medicinski Glasnik presented their editorial strategies aimed at attracting best authors and resolving problems with authorship, conflicts of interest, and plagiarism. Topical education on science writing and editing was considered as an inseparable part of continuing professional development in biomedicine. Armen Yuri Gasparyan (UK) was offered an opportunity to interact with more than 70 participants, attending the SWEP 2016 on the second day. The lecturer talked about author contributions, disclosures of conflicts of interests, plagiarism of ideas and words, research performance and impact indicators, and targeting ethical journals. Topics were presented in a way to help non-Anglophone authors, reviewers and editors avoid common ethical problems. Dr Gasparyan stressed the importance of regularly arranging such meetings across Balkan and Mediterranean countries to eradicate plagiarism and other forms research misconduct. The organizers of the SWEP 2016 awarded selected keynote speakers with certificates of lifetime achievement in journal editing, and decided to run the Seminar annually with support of Balkan and Mediterranean editors and publishers. The SWEP 2016 marked a turning point in the process of regional developments since all attending editors opted for nurturing enthusiasm of the organizers and launching the Mediterranean Association of Science Editors and Publishers (MASEP). The Seminar was a great success with its impressive scientific and social activities. It attracted more than 100 students, researchers, editors, and publishers from Bosnia & Herzegovina and neighbouring countries. Proceedings, in the form of short reports, were published in Acta Informatica Medica and archived in PubMed Central. New friendships were forged between regional experts in editing and young specialists during those unforgettable two days of intensive discussions and informal interactions (a-y).

Aniline-containing guests recognized by α,α',δ,δ'-tetramethyl-cucurbit[6]uril host.

PubMed

Lin, Rui-Lian; Fang, Guo-Sheng; Sun, Wen-Qi; Liu, Jing-Xin

2016-12-13

The host-guest complexation of symmetrical α,α',δ,δ'-tetramethyl-cucurbit[6]uril (TMeQ[6]) and cucurbit[7]uril (Q[7]) with a series of aniline-containing guests has been investigated by various experimental techniques including NMR, ITC, and X-ray crystallography. Experimental results indicate that both TMeQ[6] and Q[7] hosts can encapsulate aniline-containing guests to form stable inclusion complexes. However, the oval cavity of TMeQ[6] is more complementary in size and shape to the aromatic ring of the guests than the spherical cavity of Q[7]. Shielding and deshielding effects of the aromatic ring on guests lead to the remarkable chemical shifts of the TMeQ[6] host protons. The rotational restriction of the guests in the oval cavity of TMeQ[6] results in the large negative values of entropy. The X-ray crystal structure of the 1:1 inclusion complex between TMeQ[6] and N,N'-diethyl-benzene-1,4-diamine unambiguously reveals that the aromatic ring of the guest resides in the oval cavity of TMeQ[6].

Nurses as 'guests'--a study of a concept in light of Jacques Derrida's philosophy of hospitality.

PubMed

Oresland, Stina; Lutzén, Kim; Norberg, Astrid; Rasmussen, Birgit H; Määttä, Sylvia

2013-04-01

As revealed in previous empirical research, nurses describe their position in home-based nursing care (HBNC) as that of 'guests' in the patient's home. Such a description is problematic as 'guests' might not be considered to belong to the realm of professionalism. As Jacques Derrida's work on hospitality has received wide publicity, sparking theoretical and philosophical discussion about host and guest, the aim of this study was to explore how the concept 'guests' can be understood in the light of Derrida's philosophy of hospitality. The study revealed that (a) guest must be considered a binary concept; and (b) hospitality should be regarded as an exchange of giving and receiving between a host and a guest. The present study demonstrated that it is important to reflect on the meaning of the concepts used by nurses in HBNC. Further theoretical and empirical exploration of the concept 'hospitality' would be fruitful, i.e. what is patients' understanding of 'hospitality' and 'hostility' related to nurses' descriptions of themselves as 'guests' in the patient's home. © 2013 Blackwell Publishing Ltd.

PPII propensity of multiple-guest amino acids in a proline-rich environment.

PubMed

Moradi, Mahmoud; Babin, Volodymyr; Sagui, Celeste; Roland, Christopher

2011-07-07

There has been considerable debate about the intrinsic PPII propensity of amino acid residues in denatured polypeptides. Experimentally, this scale is based on the behavior of guest amino acid residues placed in the middle of proline-based hosts. We have used classical molecular dynamics simulations combined with replica-exchange methods to carry out a comprehensive analysis of the conformational equilibria of proline-based host oligopeptides with multiple guest amino acids including alanine, glutamine, valine, and asparagine. The tracked structural characteristics include the secondary structural motifs based on the Ramachandran angles and the cis/trans isomerization of the prolyl bonds. In agreement with our recent study of single amino acid guests, we did not observe an intrinsic PPII propensity in any of the guest amino acids in a multiple-guest setting. Instead, the experimental results can be explained in terms of (i) the steric restrictions imposed on the C-terminal guest amino acid that is immediately followed by a proline residue and (ii) an increase in the trans content of the prolyl bonds due to the presence of guest residues. In terms of the latter, we found that the more guests added to the system, the larger the increase in the trans content of the prolyl bonds, which results in an effective increase in the PPII content of the peptide.

KSC-2012-4577

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, XCOR Director of Flight Test Operations Rick Searfoss, a former NASA astronaut, addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard County. Space Florida President Frank DiBello is seated to the right. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4579

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, NASA Chief of Staff David Radzanowski addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard County. Space Florida President Frank DiBello is seated to the right. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2012-4574

NASA Image and Video Library

2012-08-23

CAPE CANAVERAL, Fla. - At NASA's Kennedy Space Center in Florida, Lynda Weatherman, President of the Economic Development Commission of Florida Space Coast, addresses guests at a presentation during which XCOR Aerospace announced plans to open a manufacturing operation in Brevard. Space Florida President Frank DiBello is seated to the right. The company's suborbital Lynx Mark II spacecraft possibly will take off and land at Kennedy's shuttle landing facility. XCOR Aerospace is a small, privately held California corporation with focus on the research, development, project management and production of reusable launch vehicles, rocket engines and rocket propulsion systems. XCOR will focus on space tourism, experimental flights and launching satellites. Photo credit: NASA/ Frankie Martin

KSC-2014-3147

NASA Image and Video Library

2014-07-08

CAPE CANAVERAL, Fla. -- In the KSC Training Auditorium at NASA's Kennedy Space Center in Florida, Yves Lamothe, transition manager for the Ground Systems Development and Operations Program, is the master of ceremonies at a special event marking the 50th anniversary of the Civil Rights Act of 1964. Center Director Robert Cabana made the opening remarks. Dr. Mary Frances Berry, an award-winning civil rights activist and former member of the U.S. Commission on Civil Rights, was the guest speaker. The event was presented by Kennedy's Office of Diversity and Equal Opportunity. For more information on Kennedy Space Center, visit http://www.nasa.gov/kennedy. Photo credit: NASA/Kim Shiflett

KSC-2014-3146

NASA Image and Video Library

2014-07-08

CAPE CANAVERAL, Fla. -- In the KSC Training Auditorium at NASA's Kennedy Space Center in Florida, Center Director Robert Cabana addresses the audience at a special event marking the 50th anniversary of the Civil Rights Act of 1964. Yves Lamothe, on stage, transition manager for the Ground Systems Development and Operations Program, was the master of ceremonies. Dr. Mary Frances Berry, an award-winning civil rights activist and former member of the U.S. Commission on Civil Rights, was the guest speaker. The event was presented by Kennedy's Office of Diversity and Equal Opportunity. For more information on Kennedy Space Center, visit http://www.nasa.gov/kennedy. Photo credit: NASA/Kim Shiflett

Nucleation pathways of clathrate hydrates: effect of guest size and solubility.

PubMed

Jacobson, Liam C; Hujo, Waldemar; Molinero, Valeria

2010-11-04

Understanding the microscopic mechanism of nucleation of clathrate hydrates is important for their use in hydrogen storage, CO(2) sequestration, storage and transport of natural gas, and the prevention of the formation of hydrate plugs in oil and gas pipelines. These applications involve hydrate guests of varied sizes and solubility in water that form different hydrate crystal structures. Nevertheless, molecular studies of the mechanism of nucleation of hydrates have focused on the single class of small hydrophobic guests that stabilize the sI crystal. In this work, we use molecular dynamics simulations with a very efficient coarse-grained model to elucidate the mechanisms of nucleation of clathrate hydrates of four model guests that span a 2 orders of magnitude range in solubility in water and that encompass sizes which stabilize each one a different hydrate structure (sI and sII, with and without occupancy of the dodecahedral cages). We find that the overall mechanism of clathrate nucleation is similar for all guests and involves a first step of formation of blobs, dense clusters of solvent-separated guest molecules that are the birthplace of the clathrate cages. Blobs of hydrophobic guests are rarer and longer-lived than those for soluble guests. For each guest, we find multiple competing channels to form the critical nuclei, filled dodecahedral (5(12)) cages, empty 5(12) cages, and a variety of filled large (5(12)6(n) with n = 2, 3, and 4) clathrate cages. Formation of empty dodecahedra is an important nucleation channel for all but the smallest guest. The empty 5(12) cages are stabilized by the presence of guests from the blob in their first solvation shell. Under conditions of high supercooling, the structure of the critical and subcritical nuclei is mainly determined by the size of the guest and does not reflect the cage composition or ordering of the stable or metastable clathrate crystals.

Synthesis of Cyclic Porphyrin Trimers through Alkyne Metathesis Cyclooligomerization and Their Host–Guest Binding Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Chao; Long, Hai; Jin, Yinghua

2016-06-17

Cyclic porphyrin trimers were synthesized through one-step cyclooligomerization via alkyne metathesis from diyne monomers. These macrocycles show interesting host-guest binding interactions with fullerenes, selectively binding C70 (6 x 103 M-1) over C60 and C84 (no binding observed). The fullerene-encapsulated host-guest complex can undergo guest or host exchange in the presence of another guest (2,4,6-tri(4-pyridyl)-1,3,5-triazine) or host (cage COP5) molecule with higher binding affinity.

Hydrogen bonding assemblies in host guest complexes with 18-crown-6

NASA Astrophysics Data System (ADS)

Fonari, M. S.; Simonov, Yu. A.; Kravtsov, V. Ch.; Lipkowski, J.; Ganin, E. V.; Yavolovskii, A. A.

2003-02-01

Recent X-ray crystal structural data for two novel 1:2 host-guest complexes of 18-crown-6 with neutral organic molecules, thiaamide hydrazide of 2-aminobenzoic acid and thiaamide hydrazide of 4-amino-1,2,5-thiadiazole-3-carbonic acid are reported. The supramolecular structures of these two and five relative complexes are discussed from the point of view of participation of donor groups in coordination with the crown ether, and donor and acceptor groups in the self-assembly of the guest molecules. Guest molecules have incorporated amine and hydrazine moieties as proton donors and carbonyl oxygen and sulfur (in thiadiazole and in thiaamine moieties) as proton acceptors. The guest-guest interactions appeared to be crucial in the final architecture.

Quality of customer service: perceptions from guests in all-inclusive resorts in Jamaica

Treesearch

Joel L. Frater

2007-01-01

With data collected from guests in all-inclusive resorts in Jamaica, West Indies, the purposes of this study were to: (1) delineate unique dimensions of customer service perceptions among guests and (2) report the finding of a study that measured guests' perceptions of the quality of customer service in all-inclusive resorts. The study asked the following research...

22 CFR 2.4 - Designation of official guests.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Designation of official guests. 2.4 Section 2.4... Protocol. The designation of a person as an official guest is final. Pursuant to section 2658 of title 22... official guests is hereby delegated to the Chief of Protocol. (22 U.S.C. 2658) [45 FR 55716, Aug. 21, 1980] ...

Dissemination of go sun smart in outdoor recreation: effect of program exposure on sun protection of guests at high-altitude ski areas.

PubMed

Walkosz, Barbara J; Buller, David B; Andersen, Peter A; Scott, Michael D; Dignan, Mark B; Cutter, Gary R; Liu, Xia; Maloy, Julie A

2014-09-01

Go Sun Smart is a theory-based health communication program designed to influence sun-protection behaviors of employees and guests at high-altitude ski areas to reduce skin cancer risk. The effects of Go Sun Smart, in a Phase IV dissemination randomized posttest-only trial, on sun-protection behaviors of ski area guests are reported. Program use was assessed by on-site observation and guest message exposure, and sun protection was measured in intercept surveys at ski areas. Dissemination strategy-enhanced versus basic-was not significantly related to sun safety practices. Additional analyses examined the relation between message exposure and guests' sun safety practices. Ski areas displaying at least 6 Go Sun Smart materials in guest-only areas and 9 Go Sun Smart materials throughout the area increased guests' message exposure. Higher message exposure within the high-use ski areas was associated with improved sun protection by guests but not within the low-use ski areas. The authors underscore the importance of program implementation and message exposure on the success of evidence-based health communication efforts applied industrywide.

Metafile for Interactive Documents. Version 2.0. Application Guide and Draft Performance Specification for the Encoding of Interactive Documents.

DTIC Science & Technology

1996-03-01

Darlene Janiszewski, NAWC-AD, Project Manager L. John Junod , NSWC-CD Michael Anderson, Antech Systems, Editor and Team Chairman David Cooper, Antech...Michael Croswell, CSC Mark Drissel, CSC Rob Groat, Booz Allen Eric Jorgensen, NSWC Carderock L. John Junod , NSWC Carderock Neill Kipp, TechnoTeacher Steve...contact Mr. John Junod at < junod @oasys.dt.navy.mil>. 1 MID-2 (3/96) 2.2.3 MID Design & Development Team Members The MID Design Team was formed in

Using Advanced Tabu Search Approaches to Perform Enhanced Air Mobility Command Operational Airlift Analyses - Phases II and III

DTIC Science & Technology

2006-10-31

Ross USN, Javier Barreiro and Jason Porter AMC: Mr. David L. Merrill, Maj David Van Veldhuizen PhD Mitre Inc. (USTRANSOM) Mr. Stuart Draper, Mr. Mark...interface (GUI), at the request of Lt Col Van Veldhuizen (AMC), to facilitate the use of McKinzie’s TPFDD automated editor/error corrector that was part of...and Van Veldhuizen (2006). This research addressed both the channel and contingency instances of air fleet loading at’ an APOE. In this process, Capt

Family psychology and the psychology of men and masculinities.

PubMed

Levant, Ronald F

2017-02-01

This article was invited to mark the 30th anniversary of the Journal of Family Psychology, which is also the 125th anniversary of APA publications. I served as the second Editor of the journal, from 1992 to 1997. I reflect on some of the similarities and differences between the journal's mission statements from 1992 and 2016, and then discuss my intellectual evolution from family psychologist to psychologist of men and masculinities, pointing out opportunities for collaboration. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

European Science Notes Information Bulletin Reports on Current European/ Middle Eastern Science

DTIC Science & Technology

1990-05-01

London NWI 5TH UNCLASSIFIED SECURITY CLASSIFICATION OF TI,-S PAGE REPORT DOCUMENTATION PAGE la R~EPORT SECLURT7y CLASSIFCATION Ib RESTRICTIVE MARKINGS...PDILEVENTARI NCTA’iON COSA - CODES 𔄂 SBEC’TEM "Continue on reverse if necessary aind identify by block number) rE-D 6ROUP S BGPOUP (I-i ~ ’J E- 5 re~~ Qt...Scientific Director ....... James E. Andrews Editor................ Ms. Connie R. Orendorf This special issue of ESNIB is de -voted to Dr. J.F. Blackburn

On the mechanism of action of gated molecular baskets: The synchronicity of the revolving motion of gates and in/out trafficking of guests

PubMed Central

Hermann, Keith; Rieth, Stephen; Taha, Hashem A; Wang, Bao-Yu; Hadad, Christopher M

2012-01-01

Summary We used dynamic 1H NMR spectroscopic methods to examine the kinetics and thermodynamics of CH3CCl3 (2) entering and leaving the gated molecular basket 1. We found that the encapsulation is first-order in basket 1 and guest 2, while the decomplexation is zeroth-order in the guest. Importantly, the interchange mechanism in which a molecule of CH3CCl3 directly displaces the entrapped CH3CCl3 was not observed. Furthermore, the examination of the additivity of free energies characterizing the encapsulation process led to us to deduce that the revolving motion of the gates and in/out trafficking of guests is synchronized, yet still a function of the affinity of the guest for occupying the basket: Specifically, the greater the affinity of the guest for occupying the basket, the less effective the gates are in “sweeping” the guest as the gates undergo their revolving motion. PMID:22423275

External and internal guest binding of a highly charged supramolecular host in water: deconvoluting the very different thermodynamics.

PubMed

Sgarlata, Carmelo; Mugridge, Jeffrey S; Pluth, Michael D; Tiedemann, Bryan E F; Zito, Valeria; Arena, Giuseppe; Raymond, Kenneth N

2010-01-27

NMR, UV-vis, and isothermal titration calorimetry (ITC) measurements probe different aspects of competing host-guest equilibria as simple alkylammonium guest molecules interact with both the exterior (ion-association) and interior (encapsulation) of the [Ga(4)L(6)](12-) supramolecular assembly in water. Data obtained by each independent technique measure different components of the host-guest equilibria and only when analyzed together does a complete picture of the solution thermodynamics emerge. Striking differences between the internal and external guest binding are found. External binding is enthalpy driven and mainly due to attractive interactions between the guests and the exterior surface of the assembly while encapsulation is entropy driven as a result of desolvation and release of solvent molecules from the host cavity.

Creating Learning Experiences that Promote Informal Science Education: Designing Conservation-Focused Interactive Zoo Exhibits through Action Research

NASA Astrophysics Data System (ADS)

Kalenda, Peter

Research on exhibit design over the past twenty years has started to identify many different methods to increase the learning that occurs in informal education environments. This study utilized relevant research on exhibit design to create and study the effectiveness of a mobile interactive exhibit at the Seneca Park Zoo that promotes socialization, engagement in science, and conservation-related practices among guests. This study will serve as one component of a major redesign project at the Seneca Park Zoo for their Rocky Coasts exhibit. This action research study targeted the following question, "How can interactive exhibits be designed to promote socialization, engagement in science, and real-world conservation-related practices (RCPs) among zoo guests?" Specific research questions included: 1. In what ways did guests engage with the exhibit? 2. In what ways were guests impacted by the exhibit? a) What evidence exists, if any, of guests learning science content from the exhibit? b) What evidence exists, if any, of guests being emotionally affected by the exhibit? c) What evidence exists, if any, of guests changing their RCPs after visiting the exhibit? Data were collected through zoo guest surveys completed by zoo guests comparing multiple exhibits, interviews with guests before and after they used the prototype exhibit, observations and audio recordings of guests using the prototype exhibit, and follow-up phone interviews with guests who volunteered to participate. Data were analyzed collaboratively with members of the zoo's exhibit Redesign Team using grounded theory qualitative data analysis techniques to find patterns and trends among data. Initial findings from data analysis were used to develop shifts in the exhibit in order to increase visitor engagement and learning. This process continued for two full action research spirals, which resulted in three iterations of the prototype exhibit. The overall findings of this study highlight the ways in which guests engaged with and were impacted by this exhibit. Findings revealed the importance of the location of interactives and signage as well as a range of readability concerns for visitor engagement. In addition, findings highlight the roles of parents in informal learning environments, and the impact of exhibit design on dwell time and questioning. This study demonstrates the value and importance of utilizing an iterative design process informed by action research when creating learning experiences in zoos. This study also reinforces how difficult it can be to both influence and measure the shifting of guests' RCPs.

CALL FOR PAPERS: Special issue: One hundred years of PVI, the Fuchs Painlevé equation

NASA Astrophysics Data System (ADS)

Clarkson, P. A.; Joshi, N.; Mazzocco, M.; Nijhoff, F. W.; Noumi, M.

2005-10-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and General entitled `One hundred years of Painlevé VI, the Fuchs Painlevé equation'. The motivation behind this special issue is to celebrate the centenary of the discovery of this famous differential equation. The Editorial Board has invited P A Clarkson, N Joshi, M Mazzocco, F W Nijhoff and M Noumi to serve as Guest Editors for the issue. The nonlinear ordinary differential equation, which is nowadays known as the Painlevé VI (PVI) equation, is one of the most important differential equations in mathematical physics. It was discovered 100 years ago by Richard Fuchs (son of the famous mathematician Lazarus Fuchs) and reported for the first time in Comptes Rendus de l'Academie des Sciences Paris 141 555 8 (1905). Gambier, in his seminal paper of 1906, included this equation as the top equation in the list of what are now known as the six Painlevé transcendental equations. The Painlevé list emerged from the work on the classification of all ordinary second-order differential equations whose general solution are `uniform', in the sense that there are no movable (i.e. as a function of the initial data) singularities (meaning branch points) worse than poles. The latter is known as the Painlevé property. As the top equation in the Painlevé list of transcendental equations, the importance of PVI can be appreciated by recognizing that this is a universal differential equation, which is the most general (in terms of number of free parameters) of the known second order ODEs defining nonlinear special functions. As such, parallels can be drawn between the role played by PVI transcendents in the nonlinear case and the hypergeometric functions at the linear level. In fact, the monograph From Gauss to Painlevé by K Iwasaki, H Kimura, S Shimomura and M Yoshida (Vieweg, 1991), draws very clearly the line stretching over more than 150 years of special function theory in which PVI is placed as the key equation. In recent years these lines have been extended into the discrete domain, i.e. the field of nonlinear ordinary difference equations, and discrete analogues of PVI have opened entirely new fields of investigation. The aim of the special issue, dedicated specifically to the PVI equations and its avatars rather than to general Painlevé theory, is to consolidate the state-of-the-art knowledge of the properties of this equation and to highlight modern developments (including generalizations of PVI, such as the Garnier system, as well as discrete versions of the equation). The issue should be a repository of high-quality original research papers as well as some invited topical reviews. Scope of the special issue The special issue is dedicated to the study of the Painlevé VI equation, its solutions and properties, and to its generalizations—either in the direction of higher-order differential equations associated with PVI (and related Garnier and Schlesinger systems), or in the direction of difference analogues of the equation. The special issue will welcome contributions that go into the analysis (including asymptotic theory) of Painlevé VI transcendents, the corresponding monodromy theory, the representation theory aspects, the underlying algebraic geometry of the solution manifolds, associated combinatorics and random matrix theory, as well as q-difference and discrete versions of the equation, and last but not least applications in physics. Papers dealing primarily with Painlevé equations other than PVI, or with general Painlevé theory, are not encouraged as these would deflect the contents of the special issue from its specific celebrational motivation. Editorial policy All contributions to the special issue will be refereed in accordance with the refereeing policy of the journal. The Guest Editors will reserve the right to judge whether a contribution fits the scope of the topic of the special issue. Guidelines for preparation of contributions • We aim to publish the special issue in the first half of 2006, in order not to lose the connection with the celebrational year 2005, marking the 100-year anniversary of the discovery of PVI. To realize this, the deadline for contributed papers will be 31 January 2006. • There is a page limit of 16 printed pages (approximately 9600 words) per contribution. For submitted papers exceeding this length the Guest Editors reserve the right to request a reduction in length. Further advice on document preparation can be found at www.iop.org/Journals/jphysa • Contributions to the special issue should if possible be submitted electronically by web upload at www.iop.org/Journals/jphysa, or by email to jphysa@iop.org, quoting `J. Phys. A Special Issue: Painlevé VI'. Submissions should ideally be in standard LaTeX form; we are, however, able to accept most formats including Microsoft Word. Please see the website for further information on electronic submissions. • Authors unable to submit electronically may send hard-copy contributions to: Publishing Administrators, Journal of Physics A, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK, enclosing electronic code on floppy disk if available and quoting `J. Phys. A Special Issue: Painlevé VI'. • All contributions should be accompanied by a read-me file or covering letter giving the postal and email address for correspondence. The Publishing Office should be notified of any subsequent change of address. The special issue will be published in the paper and online version of the journal. The corresponding author of each contribution will receive a complimentary copy of the issue.

Chemically armed mercenary ants protect fungus-farming societies.

PubMed

Adams, Rachelle M M; Liberti, Joanito; Illum, Anders A; Jones, Tappey H; Nash, David R; Boomsma, Jacobus J

2013-09-24

The ants are extraordinary in having evolved many lineages that exploit closely related ant societies as social parasites, but social parasitism by distantly related ants is rare. Here we document the interaction dynamics among a Sericomyrmex fungus-growing ant host, a permanently associated parasitic guest ant of the genus Megalomyrmex, and a raiding agro-predator of the genus Gnamptogenys. We show experimentally that the guest ants protect their host colonies against agro-predator raids using alkaloid venom that is much more potent than the biting defenses of the host ants. Relatively few guest ants are sufficient to kill raiders that invariably exterminate host nests without a cohabiting guest ant colony. We also show that the odor of guest ants discourages raider scouts from recruiting nestmates to host colonies. Our results imply that Sericomyrmex fungus-growers obtain a net benefit from their costly guest ants behaving as a functional soldier caste to meet lethal threats from agro-predator raiders. The fundamentally different life histories of the agro-predators and guest ants appear to facilitate their coexistence in a negative frequency-dependent manner. Because a guest ant colony is committed for life to a single host colony, the guests would harm their own interests by not defending the host that they continue to exploit. This conditional mutualism is analogous to chronic sickle cell anemia enhancing the resistance to malaria and to episodes in human history when mercenary city defenders offered either net benefits or imposed net costs, depending on the level of threat from invading armies.

Theory and practice of conventional adventitious virus testing.

PubMed

Gregersen, Jens-Peter

2011-01-01

CONFERENCE PROCEEDING Proceedings of the PDA/FDA Adventitious Viruses in Biologics: Detection and Mitigation Strategies Workshop in Bethesda, MD, USA; December 1-3, 2010 Guest Editors: Arifa Khan (Bethesda, MD), Patricia Hughes (Bethesda, MD) and Michael Wiebe (San Francisco, CA) For decades conventional tests in cell cultures and in laboratory animals have served as standard methods for broad-spectrum screening for adventitious viruses. New virus detection methods based on molecular biology have broadened and improved our knowledge about potential contaminating viruses and about the suitability of the conventional test methods. This paper summarizes and discusses practical aspects of conventional test schemes, such as detectability of various viruses, questionable or false-positive results, animal numbers needed, time and cost of testing, and applicability for rapidly changing starting materials. Strategies to improve the virus safety of biological medicinal products are proposed. The strategies should be based upon a flexible application of existing and new methods along with a scientifically based risk assessment. However, testing alone does not guarantee the absence of adventitious agents and must be accompanied by virus removing or virus inactivating process steps for critical starting materials, raw materials, and for the drug product.

Stratigraphic and morphologic signatures of continental shelves, IGC 2016, Cape Town: an introduction

NASA Astrophysics Data System (ADS)

Green, A. N.; Cooper, J. A. G.

2018-02-01

This special issue of Geo-Marine Letters comprises seven contributions to the session "Stratigraphic and morphologic signatures of continental shelves" of the 35th International Geological Congress held in Cape Town (Republic of South Africa) on 27 August-4 September 2016. There is an additional article not presented at the conference but falling into the same general theme. The guest editors are A.N. Green and J.A.G. Cooper. The eight articles address several contemporary themes in continental shelf geology. They include the role of antecedent conditioning on the development of shelf stratigraphy and geomorphology; erosion of submerged shorelines and their preservation during (stepped) postglacial sea-level rise; the role of glacial processes (e.g. iceberg scouring during ice-sheet retreat); and the utility of archival data in addressing contemporary issues such as Holocene climate change and global oceanographic circulation systems. The continental shelf holds important information for understanding past and present global circulation and earth-ice-atmosphere interactions including sea-level change. It is hoped that these themes will spur further research that is slowly coming to the fore in several new and innovative mapping and exploration programmes emerging from an increasing number of coastal nations.

Hans Georg Trüper (1936–2016) and His Contributions to Halophile Research

PubMed Central

Oren, Aharon

2016-01-01

Prof. Hans Georg Trüper, one of the most important scientists in the field of halophile research, passed away on 9 March 2016 at the age of 79. I here present a brief obituary with special emphasis on Prof. Trüper’s contributions to our understanding of the halophilic prokaryotes and their adaptations to life in hypersaline environments. He has pioneered the study of the halophilic anoxygenic phototrophic sulfur bacteria of the Ectothiorhodospira—Halorhodospira group. Some of the species he and his group isolated from hypersaline and haloalkaline environments have become model organisms for the study of the mechanisms of haloadaptation: the functions of three major organic compounds – glycine betaine, ectoine, and trehalose – known to serve as “compatible solutes” in halophilic members of the Bacteria domain, were discovered during studies of these anoxygenic phototrophs. Prof. Trüper’s studies of hypersaline alkaline environments in Egypt also led to the isolation of the first known extremely halophilic archaeon (Natronomonas pharaonis). The guest editors dedicate this special volume of Life to the memory of Prof. Hans Georg Trüper. PMID:27187481

Open source libraries and frameworks for mass spectrometry based proteomics: A developer's perspective☆

PubMed Central

Perez-Riverol, Yasset; Wang, Rui; Hermjakob, Henning; Müller, Markus; Vesada, Vladimir; Vizcaíno, Juan Antonio

2014-01-01

Data processing, management and visualization are central and critical components of a state of the art high-throughput mass spectrometry (MS)-based proteomics experiment, and are often some of the most time-consuming steps, especially for labs without much bioinformatics support. The growing interest in the field of proteomics has triggered an increase in the development of new software libraries, including freely available and open-source software. From database search analysis to post-processing of the identification results, even though the objectives of these libraries and packages can vary significantly, they usually share a number of features. Common use cases include the handling of protein and peptide sequences, the parsing of results from various proteomics search engines output files, and the visualization of MS-related information (including mass spectra and chromatograms). In this review, we provide an overview of the existing software libraries, open-source frameworks and also, we give information on some of the freely available applications which make use of them. This article is part of a Special Issue entitled: Computational Proteomics in the Post-Identification Era. Guest Editors: Martin Eisenacher and Christian Stephan. PMID:23467006

Open source libraries and frameworks for mass spectrometry based proteomics: a developer's perspective.

PubMed

Perez-Riverol, Yasset; Wang, Rui; Hermjakob, Henning; Müller, Markus; Vesada, Vladimir; Vizcaíno, Juan Antonio

2014-01-01

Data processing, management and visualization are central and critical components of a state of the art high-throughput mass spectrometry (MS)-based proteomics experiment, and are often some of the most time-consuming steps, especially for labs without much bioinformatics support. The growing interest in the field of proteomics has triggered an increase in the development of new software libraries, including freely available and open-source software. From database search analysis to post-processing of the identification results, even though the objectives of these libraries and packages can vary significantly, they usually share a number of features. Common use cases include the handling of protein and peptide sequences, the parsing of results from various proteomics search engines output files, and the visualization of MS-related information (including mass spectra and chromatograms). In this review, we provide an overview of the existing software libraries, open-source frameworks and also, we give information on some of the freely available applications which make use of them. This article is part of a Special Issue entitled: Computational Proteomics in the Post-Identification Era. Guest Editors: Martin Eisenacher and Christian Stephan. Copyright © 2013 Elsevier B.V. All rights reserved.

Five years later: the current status of the use of proteomics and transcriptomics in EMF research.

PubMed

Leszczynski, Dariusz; de Pomerai, David; Koczan, Dirk; Stoll, Dieter; Franke, Helmut; Albar, Juan Pablo

2012-08-01

The World Health Organization's and Radiation and Nuclear Safety Authority's "Workshop on Application of Proteomics and Transcriptomics in Electromagnetic Fields Research" was held in Helsinki in the October/November 2005. As a consequence of this meeting, Proteomics journal published in 2006 a special issue "Application of Proteomics and Transcriptomics in EMF Research" (Vol. 6 No. 17; Guest Editor: D. Leszczynski). This Proteomics issue presented the status of research, of the effects of electromagnetic fields (EMF) using proteomics and transcriptomics methods, present in 2005. The current overview/opinion article presents the status of research in this area by reviewing all studies that were published by the end of 2010. The review work was a part of the European Cooperation in the Field of Scientific and Technical Research (COST) Action BM0704 that created a structure in which researchers in the field of EMF and health shared knowledge and information. The review was prepared by the members of the COST Action BM0704 task group on the high-throughput screening techniques and electromagnetic fields (TG-HTST-EMF). © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Message from the Editor

NASA Astrophysics Data System (ADS)

Stambaugh, Ronald D.

2014-01-01

This last year being an odd numbered year, the pages of Nuclear Fusion saw a large influx of expanded papers from the 2012 Fusion Energy Conference in San Diego. Many papers have focused on the scientific and technical challenges posed by ITER. Contributions are steadily increasing from the new superconducting tokamaks in Asia. The ITER Project continues to move ahead. Construction at the Cadarache site is quite remarkable. Buildings completed include the huge Poloidal Field Coils Winding Facility and the Headquarters building, which has been occupied by the ITER staff. Work is progressing on the Assembly building and the Cryostat Workshop. The base of the tokamak complex is being laid. Besides the construction that is taking place and will take place at the site, components from around the world have to navigate the complex route from Marseilles to the site. A test convoy replicating the dimensions and weights of the most exceptional ITER loads successfully traversed that route in 2013. We are pleased to report that the IAEA and ITER have finalized the agreement for ITER authors to publish papers in Nuclear Fusion . Nuclear Fusion is proud to continue its key role in providing the leading forum for the documentation of scientific progress and exchange of research results internationally toward fusion energy. Refereeing The Nuclear Fusion editorial office appreciates greatly the effort made by our referees to sustain the high quality of the journal. Since January 2005, we have been offering the most active referees over the past year a personal subscription to Nuclear Fusion with electronic access for one year, free of charge. We have excluded our Board Members, Guest Editors of special editions and those referees who were already listed in previous years. The following people have been selected: J.M. Canik, Oak Ridge National Laboratory, USA I.T. Chapman, Culham Centre for Fusion Energy, UK L.-G. Eriksson, Commission of the European Communities, Belgium T. Evans, General Atomics, USA A. Hassanein, Purdue University, USA Y.-M. Jeon, National Fusion Research Institute, Spain S. Kajita, Nagoya University, Japan T.P. Kiviniemi, Aalto University, Finland R.M. More, Lawrence Livermore National Laboratory, USA F. Sattin, Associazione Euratom-ENEA-CNR, Italy J.A. Snipes, ITER Organization, France W. Suttrop, Max Planck Institute for Plasma Physics-Garching, Germany F.L. Tabares, Energy Environment and Technology Research Centre, Spain Y. Ueda, Osaka University, Japan V.S. Voitsenya, Kharkov Institute of Physics and Technology, Ukraine G. Xu, Chinese Academy of Sciences-Hefei Institutes of Physical Sciences, People's Republic of China In addition, there is a group of several hundred referees who have helped us in the past year to maintain the high scientific standard of Nuclear Fusion . At the end of this issue we give the full list of all referees for 2013. Our thanks to them! We also wish to express our thanks to Paul Thomas, who served as Guest Editor for the special issue of the overview and summary reports from the 24th Fusion Energy Conference in San Diego, October 2012. This issue is of great value as a summary of the major developments worldwide in fusion research in the last two years. Authors The winner of the 2013 Nuclear Fusion Award is D.G. Whyte for the paper: I-mode: an H-mode energy confinement regime with L-mode particle transport in Alcator C-Mod [1], and we congratulate him and coauthors on this achievement. We also note special topic papers published in 2013: Technical challenges in the construction of the steady-state stellarator Wendestein 7-X by H.S. Bosch et al [2], Power requirements for electron cyclotron current drive and ion cyclotron resonance heating for sawtooth control in ITER by I.T. Chapman et al [3] and IFMIF: overview of the validation activities by J. Knaster et al [4]. The Board of Editors The Board of Editors has had a substantial turnover in members. For their great service to the journal, we wish to thank the following outgoing Board Members whose term of service was reached at the end of 2012: Keith Burrell, Atsushi Fukuyama, Guenter Janeschitz, Myeun Kwon, Alberto Loarte, Derek Stork, Tony Taylor and Kazuo Toi. We welcome the new Board Members who have joined the Board from the start of 2013: Pietro Barabaschi, Riccardo Betti, Rich Callis, Wonho Choi, Yasuaki Kishimoto, Joaquin Sánchez, Paul Thomas, Mickey Wade, Howard Wilson, Hiroshi Yamada and Steve Zinkle. We look forward to working with the Board to maintain the high standing of Nuclear Fusion . The Nuclear Fusion office and IOP Publishing Just as the journal depends on the authors, referees, and Board of Editors, so its success is also due to the tireless and largely unsung efforts of the IAEA Nuclear Fusion office in Vienna and IOP Publishing in Bristol. I would like to express my personal thanks to the team for the support that they have given to me, the authors and the referees. Season's greetings I would like to wish our readers, authors, referees, Board of Editors, and Vienna and Bristol office staff season's greetings and thank them for their contributions to Nuclear Fusion in 2013. References [1] Whyte D.G. et al 2010 I-mode: an H-mode energy confinement regime with L-mode particle transport in Alcator C-Mod Nucl. Fusion 50 105005 [2] Bosch H.-S. et al 2013 Technical challenges in the construction of the steady-state stellarator Wendelstein 7-X Nucl. Fusion 53 126001 [3] Chapman I.T. et al 2013 Power requirements for electron cyclotron current drive and ion cyclotron resonance heating for sawtooth control in ITER Nucl. Fusion 53 066001 [4] Knaster J. et al 2013 IFMIF: overview of the validation activities Nucl. Fusion 53 116001

[A homicidal strangulation by ligature, disguised as a suicidal hanging].

PubMed

Ueno, Y; Fukunaga, T; Nakagawa, K; Imabayashi, T; Fujiwara, S; Adachi, J; Mizoi, Y

1989-02-01

A naked 38-year-old woman was found dead, lying beside a bed in a guest room of a hotel. A cotton cord was looped around her neck, with one end tied to a bedpost. Thus it seemed that she had hanged herself in a lying position. Yet, certain suspicious factors gave rise to doubts. The hair and a necklace were intertwined with the cord and a man that had been staying in the same room had fled. On the postmortem examination, marked congestion and many petechial haemorrhages were seen in the face and the upper area of the neck, also in conjunctiva. A light-brown and highly dry ligature mark, about one centimeter in width, was found on the neck. The mark, crossing the front of the neck, was clearly evident from the back to the right side of the neck. The lower borders of the congestion and petechial haemorrhages in the face and neck were located 1 or 2 centimeters above the ligature mark. On the left side of the neck, another pale ligature mark with slight subcutaneous haemorrhages was seen between the dry mark and the lower border of the congested part of the neck. A similar ligature mark also was found on the back of the neck. On internal examination, congestion of the cervical lymph nodes and haemorrhages in the cervical muscles were recognized in the areas of the cutaneous congestion. These findings supported suspicions that the dry ligature mark had been caused by hanging after her death, and that the light ligature mark with slight subcutaneous haemorrhages on the left side and back of the neck had been caused by strangulation, which had brought on the victim's death. Therefore, it was decided that her death had been disguised as a suicidal hanging, after she had been strangled by ligature. A week later, her former husband was arrested and confessed his crime.

ccML, a new mark-up language to improve ISO/EN 13606-based electronic health record extracts practical edition.

PubMed

Sánchez-de-Madariaga, Ricardo; Muñoz, Adolfo; Cáceres, Jesús; Somolinos, Roberto; Pascual, Mario; Martínez, Ignacio; Salvador, Carlos H; Monteagudo, José Luis

2013-01-01

The objective of this paper is to introduce a new language called ccML, designed to provide convenient pragmatic information to applications using the ISO/EN13606 reference model (RM), such as electronic health record (EHR) extracts editors. EHR extracts are presently built using the syntactic and semantic information provided in the RM and constrained by archetypes. The ccML extra information enables the automation of the medico-legal context information edition, which is over 70% of the total in an extract, without modifying the RM information. ccML is defined using a W3C XML schema file. Valid ccML files complement the RM with additional pragmatics information. The ccML language grammar is defined using formal language theory as a single-type tree grammar. The new language is tested using an EHR extracts editor application as proof-of-concept system. Seven ccML PVCodes (predefined value codes) are introduced in this grammar to cope with different realistic EHR edition situations. These seven PVCodes have different interpretation strategies, from direct look up in the ccML file itself, to more complex searches in archetypes or system precomputation. The possibility to declare generic types in ccML gives rise to ambiguity during interpretation. The criterion used to overcome ambiguity is that specificity should prevail over generality. The opposite would make the individual specific element declarations useless. A new mark-up language ccML is introduced that opens up the possibility of providing applications using the ISO/EN13606 RM with the necessary pragmatics information to be practical and realistic.

The molecular transport and intercalation of guest molecules into hydrogen-bonded metal-organic frameworks (HMOFs)

NASA Astrophysics Data System (ADS)

Hogan, Greg Anthony

The process of molecular transport and intercalation has been widely studied for many years, resulting in the discovery of molecular frameworks that are capable of hosting guest molecules or ions. Layered and porous metal-organic frameworks (MOFs) have been found to have applications in the field of catalysis, storage, separations, and ion-exchange. More recently, molecular components with peripheral hydrogen-bonding moieties have been used to affect the synthesis of hydrogen-bonded metal-organic frameworks (HMOFs) as an alternative to MOFs, which are interconnected via coordinate-covalent bonds. While MOFs are perhaps stronger materials, HMOFs have the advantage of being easily modifiable and more flexible. Because HMOFs have not been extensively studied for their ability to host molecules, and because their ability to withstand guest loss and guest exchange is essentially unknown, here we report the synthesis and molecular transport properties of both close-packed and porous HMOFs. Layered materials can mimic the behavior of naturally occurring clays, where guest molecules are absorbed and the layer will expand to accommodate the entering guest molecule. We have created a clay mimic composed of a metal pyridine-dicarboxylates and ammonium counterions (a layered HMOF), which is suitable for studying the ability of such materials to absorb guest molecules. We can control the distance of the interlayer region, as well as the chemical nature (hydrophobic or hydrophilic) by varying the organic amine. The metal complex contains axial water ligands that are replaceable, and such ligand exchange has precedence in coordination polymer (MOF) systems, and has been termed "coordinative intercalation". Using the synthesized layered material we examined the process of intercalation, having chosen a variety of guest molecules ranging from alkyl to aryl molecules, each of which have substituents varying in size, shape and electronics. The first set of guest molecules are non-coordinating and are theoretically capable of entering the layer and anchoring freely through the use of non-covalent interactions. The second set of guest molecules contain a pyridine moiety that can exchange with the coordinated water ligand through coordinative-intercalation. The products have been characterized by TGA, DSC, UV-Vis, and powder XRD. Further work was dedicated to examining porous materials, which were created using organic diamines, rather than simple primary amines, as starting materials. The resulting diammonium cations act as pillars, forming open channels. The predefined channel dimensions allow the insertion of specific sized guest molecules. The walls of the channel are close-packed, so that in theory guest molecules can travel in one direction through the solid. Using the synthesized pillared structure we investigated guest inclusion and selectivity through the process of co-crystallization. The stability of the pillared structure in the absence of guests is also reported, as well as the potential for the empty pillared structure to withstand guest re-insertion and removal.

Effects of Facilitation Context on Attitude toward Sustainable Seafood

NASA Astrophysics Data System (ADS)

Denton, Kristen E.

This study examined how adult guests to the California Science Center engage with a specific conservation education topic: sustainable seafood. Sustainable seafood is a common education message delivered in informal science institutions. This study also investigated whether engaging in an activity about sustainable seafood while simultaneously viewing live fish species would have a greater impact on guests than participating in the same activity while viewing a laboratory space. The data showed that guests who participated in a hands-on activity about sustainable seafood knew more about conservation-related topics and were more likely to adopt behaviors conducive to sustainable seafood consumption than guests who participated in a different hands-on activity. The data also showed that the settings in which guests participate in this Sustainable Seafood activity do not influence their knowledge or behavior. This indicates that this Sustainable Seafood activity is effective in educating adult guests, regardless of the setting.

A room with a viewpoint revisited: descriptive norms and hotel guests' towel reuse behavior.

PubMed

Bohner, Gerd; Schlüter, Lena E

2014-01-01

Field experiments on descriptive norms as a means to increase hotel guests' towel reuse [1] were replicated and extended. In two hotels in Germany (Study 1: N = 724; Study 2: N = 204), descriptive norm messages suggesting that 75% of guests had reused their towels, or a standard message appealing to environmental concerns, were placed in guests' bathrooms. Descriptive norm messages varied in terms of proximity of the reference group ("hotel guests" vs. "guests in this room") and temporal proximity (currently vs. two years previous). Reuse of towels was unobtrusively recorded. Results showed that reuse rates were high overall and that both standard and descriptive norm messages increased reuse rates compared to a no-message baseline. However, descriptive norm messages were not more effective than the standard message, and effects of proximity were inconsistent across studies. Discussion addresses cultural and conceptual issues in comparing the present findings with previous ones.

EDITORIAL: Editor's Farewell

NASA Astrophysics Data System (ADS)

Hudson, R. P.

1989-01-01

The completion of Volume 26, 1989, marked the end of my tenure as Editor of Metrologia. My association with the journal, its parent body the Comité International des Poids et Mesures, its host organization the Bureau International des Poids et Mesures, the publishers Springer-Verlag and last (but by no means least) the Editorial Board, has been a pleasant one and I trust that the subscribers will have found the product to be generally satisfactory. There have been, it is true, some disappointments along the way and I shall mention two of these while expressing the hope that the new Editor will enjoy a greater success in their regard. First is the question of circulation, which has stayed dangerously low, although the shrinkage has tapered off in the most recent years. Because of the narrow public support, the costs of production are relatively high and this, through a consequently high subscription rate, tends to enshrine the unsatisfactory state of affairs. Modest schemes to broaden the journal's appeal and bring in a wider readership have foundered upon the first step, namely, that of procuring from staff members of the national standards laboratories the hoped-for articles which would discuss the state of the art in delivering the highest-quality measurement services to the public. However, some very interesting and bolder schemes are presently under discussion. I had also hoped to leaven the journal's content a little by regularly appearing articles on the latest developments within the great national laboratories. But, as with technical review articles, it has proven very difficult to find the right authors who can also spare the time, and only a few laboratories have found it possible to collaborate. In taking my leave, it remains for me to thank all the contributors, referees and readers for their support, to express the hope of an ever brighter future for Metrologia and to wish to the new Editor, Dr D A Blackburn, a happy and successful tenure.

Cucurbit[8]uril-Containing Multilayer Films for the Photocontrolled Binding and Release of a Guest Molecule.

PubMed

Nicolas, Henning; Yuan, Bin; Zhang, Xi; Schönhoff, Monika

2016-03-15

The powerful host-guest chemistry of cucurbit[8]uril (CB[8]) was employed to obtain photoresponsive polyelectrolyte multilayer films for the reversible and photocontrolled binding and release of an organic guest molecule. For this purpose, we designed and synthesized a polyelectrolyte with azobenzene side groups. Then, CB[8] was associated with the azo side group to obtain a supramolecular host-guest complex that was further used as building block in order to prepare photoresponsive and CB[8]-containing polyelectrolyte multilayer films. Ultraviolet spectroscopy and a dissipative quartz crystal microbalance are employed to monitor the formation of the host-guest complex and the layer-by-layer self-assembly of the multilayer films, respectively. We demonstrate that the photoresponsive properties of the azo side groups are maintained before and after host-guest complexation with CB[8] in solution and within the multilayer films, respectively. A guest molecule was then specifically included as second binding partner into the CB[8]-containing multilayer films. Subsequently, the release of the guest was performed by UV light irradiation due to the trans-cis isomerization of the adjacent azo side groups. Re-isomerization of the azo side groups was achieved by VIS light irradiation and enabled the rebinding of the guest into CB[8]. Finally, we demonstrate that the photocontrolled binding and release within CB[8]-containing multilayer films can reliably and reversibly be performed over a period of more than 2 weeks with constant binding efficiency. Therefore, we expect such novel type of photosensitive films to have promising future applications in the field of stimuli-responsive nanomaterials.

ESI-MS of Cucurbituril Complexes Under Negative Polarity.

PubMed

Rodrigues, Maria A A; Mendes, Débora C; Ramamurthy, Vaidhyanathan; Da Silva, José P

2017-11-01

Electrospray ionization mass spectrometry (ESI-MS) is a powerful tool to study host-guest supramolecular interactions. ESI-MS can be used for detailed gas-phase reactivity studies, to clarify the structure, or simply to verify the formation of complexes. Depending on the structure of the host and of the guest, negative and/or positive ESI are used. Here we report the unexpected formation of host-guest complexes between cucurbit[n]urils (n = 7, 8, CB[n]) and amine, styryl pyridine, and styryl pyridine dimer cations, under negative ESI. Non-complexed CB[n] form double charged halide (Br - , Cl - , F - ) adducts. Under negative ESI, halide ions interact with CB[n] outer surface hydrogen atoms. One to one host-guest complexes (1:1) of CB[n] with positive charged guests were also observed as single and double charged ions under negative ESI. The positive charge of guests is neutralized by ion-pairing with halide anions. Depending on the number of positive charges guests retain in the gas phase, one or two additional halide ions are required for neutralization. Complexes 1:2 of CB[8] with styryl pyridines retain two halide ions in the gas phase, one per guest. Styryl pyridine dimers form 1:1 complexes possessing a single extra halide ion and therefore a single positive charge. Negative ESI is sensitive to small structural differences between complexes, distinguishing between 1:2 complexes of styryl pyridine-CB[8] and corresponding 1:1 complexes with the dimer. Negative ESI gives simpler spectra than positive ESI and allows the determination of guest charge state of CB[n] complexes in the gas phase. Graphical Abstract ᅟ.

Chemically armed mercenary ants protect fungus-farming societies

PubMed Central

Adams, Rachelle M. M.; Liberti, Joanito; Illum, Anders A.; Jones, Tappey H.; Nash, David R.; Boomsma, Jacobus J.

2013-01-01

The ants are extraordinary in having evolved many lineages that exploit closely related ant societies as social parasites, but social parasitism by distantly related ants is rare. Here we document the interaction dynamics among a Sericomyrmex fungus-growing ant host, a permanently associated parasitic guest ant of the genus Megalomyrmex, and a raiding agro-predator of the genus Gnamptogenys. We show experimentally that the guest ants protect their host colonies against agro-predator raids using alkaloid venom that is much more potent than the biting defenses of the host ants. Relatively few guest ants are sufficient to kill raiders that invariably exterminate host nests without a cohabiting guest ant colony. We also show that the odor of guest ants discourages raider scouts from recruiting nestmates to host colonies. Our results imply that Sericomyrmex fungus-growers obtain a net benefit from their costly guest ants behaving as a functional soldier caste to meet lethal threats from agro-predator raiders. The fundamentally different life histories of the agro-predators and guest ants appear to facilitate their coexistence in a negative frequency-dependent manner. Because a guest ant colony is committed for life to a single host colony, the guests would harm their own interests by not defending the host that they continue to exploit. This conditional mutualism is analogous to chronic sickle cell anemia enhancing the resistance to malaria and to episodes in human history when mercenary city defenders offered either net benefits or imposed net costs, depending on the level of threat from invading armies. PMID:24019482

PREFACE: International Conference on Advancement in Science and Technology 2012 (iCAST): Contemporary Mathematics, Mathematical Physics and their Applications

NASA Astrophysics Data System (ADS)

Ganikhodjaev, Nasir; Mukhamedov, Farrukh; Hee, Pah Chin

2013-04-01

The 4th International Conference on the Advancement of Science and Technology 2012 (iCAST 2012), with theme 'Contemporary Mathematics, Mathematical Physics and their Applications', took place in Kuantan, Malaysia, from Wednesday 7 to Friday 9 November 2012. The conference was attended by more than 100 participants, and hosted about 160 oral and poster papers by more than 140 pre-registered authors. The key topics of the 4th iCAST 2012 include Pure Mathematics, Applied Mathematics, Theoretical/Mathematical Physics, Dynamical Systems, Statistics and Financial Mathematics. The scientific program was rather full since after the Keynote and Invited Talks in the morning, four parallel sessions ran every day. However, according to all attendees, the program was excellent with a high level of talks and the scientific environment was fruitful; thus all attendees had a creative time. The conference aimed to promote the knowledge and development of high-quality research in mathematical fields concerned with the application of other scientific fields as well as modern technological trends in physics, chemistry, biology, medicine, economics, sociology and environmental sciences. We would like to thank the Keynote and the Invited Speakers for their significant contributions to 4th iCAST 2012. We would also like to thank the members of the International Scientific Committee and the members of the Organizing Committee. We cannot end without expressing our many thanks to International Islamic University Malaysia and our sponsors for their financial support . This volume presents selected papers which have been peer-reviewed. The editors hope that it may be useful and fruitful for scholars, researchers, and advanced technical members of the industrial laboratory facilities for developing new tools and products. Guest Editors Nasir Ganikhodjaev, Farrukh Mukhamedov and Pah Chin Hee The PDF contains the committee lists, board list and biographies of the plenary speakers.

Capturing Guest Dynamics in Metal-Organic Framework CPO-27-M (M = Mg, Zn) by (2)H Solid-State NMR Spectroscopy.

PubMed

Xu, Jun; Sinelnikov, Regina; Huang, Yining

2016-06-07

Metal-organic frameworks (MOFs) are promising porous materials for gas separation and storage as well as sensing. In particular, a series of isostructural MOFs with coordinately unsaturated metal centers, namely, CPO-27-M or M-MOF-74 (M = Mg, Zn, Mn, Fe, Ni, Co, Cu), have shown exceptional adsorption capacity and selectivity compared to those of classical MOFs that contain only fully coordinated metal sites. Although it is widely accepted that the interaction between guest molecules and exposed metal centers is responsible for good selectivity and large maximum uptake, the investigation of such guest-metal interaction is very challenging because adsorbed molecules are usually disordered in the pores and undergo rapid thermal motions. (2)H solid-state NMR (SSNMR) spectroscopy is one of the most extensively used techniques for capturing guest dynamics in porous materials. In this work, variable-temperature (2)H wide-line SSNMR experiments were performed on CPO-27-M (M = Mg, Zn) loaded with four prototypical guest molecules: D2O, CD3CN, acetone-d6, and C6D6. The results indicate that different guest molecules possess distinct dynamic behaviors inside the channel of CPO-27-M. For a given guest molecule, its dynamic behavior also depends on the nature of the metal centers. The binding strength of guest molecules is discussed on the basis of the (2)H SSNMR data.

Special issue on quantum physics with non-Hermitian operators Special issue on quantum physics with non-Hermitian operators

NASA Astrophysics Data System (ADS)

Bender, Carl M.; Fring, Andreas; Guenther, Uwe; Jones, Hugh F.

2012-01-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and Theoretical dedicated to quantum physics with non-Hermitian operators. The main motivation behind this special issue is to gather together recent results, developments and open problems in this rapidly evolving field of research in a single comprehensive volume. We expect that such a special issue will become a valuable reference for the broad scientific community working in mathematical and theoretical physics. The issue will be open to all contributions containing new results on non-Hermitian theories which are explicitly PT-symmetric and/or pseudo-Hermitian or quasi-Hermitian. The main novelties in the past years in this area have been many experimental observations, realizations, and applications of PT symmetric Hamiltonians in optics and microwave cavities. We especially invite contributions on the theoretical interpretations of these recent PT-symmetric experiments and on theoretical proposals for new experiments. Editorial policy The Guest Editors for this issue are Carl Bender, Andreas Fring, Uwe Guenther and Hugh Jones. The areas and topics for this issue include, but are not limited to: spectral problems novel properties of complex optical potentials PT-symmetry related threshold lasers and spectral singularities construction of metric operators scattering theory supersymmetric theories Lie algebraic and Krein-space methods random matrix models classical and semi-classical models exceptional points in model systems operator theoretic approaches microwave cavities aspects of integrability and exact solvability field theories with indefinite metric All contributions will be refereed and processed according to the usual procedure of the journal. Papers should report original and significant research that has not already been published. Guidelines for preparation of contributions The deadline for contributed papers will be 31 March 2012. This deadline will allow the special issue to appear before the end of November 2012. There is a nominal page limit of 15 printed pages per contribution (invited review papers can be longer). For papers exceeding this limit, the Guest Editors reserve the right to request a reduction in length. Further advice on publishing your work in Journal of Physics A: Mathematical and Theoretical may be found at iopscience.iop.org/jphysa. Contributions to the special issue should be submitted by web upload via authors.iop.org/, or by email to jphysa@iop.org, quoting 'JPhysA Special issue on quantum physics with non-Hermitian operators'. Submissions should ideally be in standard LaTeX form. Please see the website for further information on electronic submissions. All contributions should be accompanied by a read-me file or covering letter giving the postal and e-mail addresses for correspondence. The Publishing Office should be notified of any subsequent change of address. The special issue will be published in the print and online versions of the journal.

Special issue on quantum physics with non-Hermitian operators Special issue on quantum physics with non-Hermitian operators

NASA Astrophysics Data System (ADS)

Bender, Carl M.; Fring, Andreas; Guenther, Uwe; Jones, Hugh F.

2012-01-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and Theoretical dedicated to quantum physics with non-Hermitian operators. The main motivation behind this special issue is to gather together recent results, developments and open problems in this rapidly evolving field of research in a single comprehensive volume. We expect that such a special issue will become a valuable reference for the broad scientific community working in mathematical and theoretical physics. The issue will be open to all contributions containing new results on non-Hermitian theories which are explicitly PT-symmetric and/or pseudo-Hermitian or quasi-Hermitian. The main novelties in the past years in this area have been many experimental observations, realizations, and applications of PT symmetric Hamiltonians in optics and microwave cavities. We especially invite contributions on the theoretical interpretations of these recent PT-symmetric experiments and on theoretical proposals for new experiments. Editorial policy The Guest Editors for this issue are Carl Bender, Andreas Fring, Uwe Guenther and Hugh Jones. The areas and topics for this issue include, but are not limited to: spectral problems novel properties of complex optical potentials PT-symmetry related threshold lasers and spectral singularities construction of metric operators scattering theory supersymmetric theories Lie algebraic and Krein-space methods random matrix models classical and semi-classical models exceptional points in model systems operator theoretic approaches microwave cavities aspects of integrability and exact solvability field theories with indefinite metric All contributions will be refereed and processed according to the usual procedure of the journal. Papers should report original and significant research that has not already been published. Guidelines for preparation of contributions The deadline for contributed papers will be 31 March 2012. This deadline will allow the special issue to appear before the end of November 2012. There is a nominal page limit of 15 printed pages per contribution (invited review papers can be longer). For papers exceeding this limit, the Guest Editors reserve the right to request a reduction in length. Further advice on publishing your work in Journal of Physics A: Mathematical and Theoretical may be found at iopscience.iop.org/jphysa. Contributions to the special issue should be submitted by web upload via authors.iop.org, or by email to jphysa@iop.org, quoting 'JPhysA Special issue on quantum physics with non-Hermitian operators'. Submissions should ideally be in standard LaTeX form. Please see the website for further information on electronic submissions. All contributions should be accompanied by a read-me file or covering letter giving the postal and e-mail addresses for correspondence. The Publishing Office should be notified of any subsequent change of address. The special issue will be published in the print and online versions of the journal.

Polarization response of clathrate hydrates capsulated with guest molecules

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, Qun; Li, Jinshan, E-mail: ljs915@263.net, E-mail: myang@scu.edu.cn; Huang, Hui

2016-05-28

Clathrate hydrates are characterized by their water cages encapsulating various guest atoms or molecules. The polarization effect of these guest-cage complexes was studied with combined density functional theory and finite-field calculations. An addition rule was noted for these systems whose total polarizability is approximately equal to the polarizability sum of the guest and the cage. However, their distributional polarizability computed with Hirshfeld partitioning scheme indicates that the guest–cage interaction has considerable influence on their polarization response. The polarization of encapsulated guest is reduced while the polarization of water cage is enhanced. The counteraction of these two opposite effects leads tomore » the almost unchanged total polarizability. Further analysis reveals that the reduced polarizability of encapsulated guest results from the shielding effect of water cage against the external field and the enhanced polarizability of water cage from the enhanced bonding of hydrogen bonds among water molecules. Although the charge transfer through the hydrogen bonds is rather small in the water cage, the polarization response of clathrate hydrates is sensitive to the changes of hydrogen bonding strength. The guest encapsulation strengthens the hydrogen bonding network and leads to enhanced polarizability.« less

New Horizons Pluto Flyby Guest Operations

NASA Astrophysics Data System (ADS)

Simon, M.; Turney, D.; Fisher, S.; Carr, S. S.

2015-12-01

On July 14, 2015, after 9.5 years of cruise, NASA's New Horizons spacecraft flew past the Pluto system to gather first images humankind had ever seen on Pluto and its five moons. While much has been discovered about the Pluto system since New Horizons launch in 2006, the system has never been imaged at high resolution and anticipation of the "First Light" of the Pluto system had been anticipated by planetary enthusiasts for decades. The Johns Hopkins Applied Physics Laboratory (APL), which built and operates New Horizons, was the focal point for gathering three distinct groups: science and engineering team members; media and public affairs representatives; and invited public, including VIP's. Guest operations activities were focused on providing information primarily to the invited public and VIP's. High level objectives for the Guest Operations team was set to entertain and inform the general public, offer media reaction shots, and to deconflict activities for the guests from media activities wherever possible. Over 2000 people arrived at APL in the days surrounding closest approach for guest, science or media operations tracks. Reaction and coverage of the Guest Operations events was universally positive and global in impact: iconic pictures of the auditorium waving flags during the moment of closest approach were published in media outlets on every continent. Media relations activities ensured coverage in all key media publications targeted for release, such as the New York Times, Science, Le Monde, and Nature. Social and traditional media coverage of the events spanned the globe. Guest operations activities are designed to ensure that a guest has a memorable experience and leaves with a lifelong memory of the mission and their partnership in the activity. Results, lessons learned, and other data from the New Horizons guest operations activity will be presented and analyzed.

Mechanism of host-guest complexation by cucurbituril.

PubMed

Márquez, César; Hudgins, Robert R; Nau, Werner M

2004-05-12

The factors affecting host-guest complexation between the molecular container compound cucurbit[6]uril (CB6) and various guests in aqueous solution are studied, and a detailed complexation mechanism in the presence of cations is derived. The formation of the supramolecular complex is studied in detail for cyclohexylmethylammonium ion as guest. The kinetics and thermodynamics of complexation is monitored by NMR as a function of temperature, salt concentration, and cation size. The binding constants and the ingression rate constants decrease with increasing salt concentration and cation-binding constant, in agreement with a competitive binding of the ammonium site of the guest and the metal cation with the ureido carbonyl portals of CB6. Studies as a function of guest size indicate that the effective container volume of the CB6 cavity is approximately 105 A(3). It is suggested that larger guests are excluded for two reasons: a high activation barrier for ingression imposed by the tight CB6 portals and a destabilization of the complex due to steric repulsion inside. For example, in the case of the nearly spherical azoalkane homologues 2,3-diazabicyclo[2.2.1]hept-2-ene (DBH, volume ca. 96 A(3)) and 2,3-diazabicyclo[2.2.2]oct-2-ene (DBO, volume ca. 110 A(3)), the former forms the CB6 complex promptly with a sizable binding constant (1300 M(-1)), while the latter does not form a complex even after several months at optimized complexation conditions. Molecular mechanics calculations are performed for several CB6/guest complexes. A qualitative agreement is found between experimental and calculated activation energies for ingression as a function of both guest size and state of protonation. The potential role of constrictive binding by CB6 is discussed.

Relationship between the cohesion of guest particles on the flow behaviour of interactive mixtures.

PubMed

Mangal, Sharad; Gengenbach, Thomas; Millington-Smith, Doug; Armstrong, Brian; Morton, David A V; Larson, Ian

2016-05-01

In this study, we aimed to investigate the effects cohesion of small surface-engineered guest binder particles on the flow behaviour of interactive mixtures. Polyvinylpyrrolidone (PVP) - a model pharmaceutical binder - was spray-dried with varying l-leucine feed concentrations to create small surface-engineered binder particles with varying cohesion. These spray-dried formulations were characterised by their particle size distribution, morphology and cohesion. Interactive mixtures were produced by blending these spray-dried formulations with paracetamol. The resultant blends were visualised under scanning electron microscope to confirm formation of interactive mixtures. Surface coverage of paracetamol by guest particles as well as the flow behaviour of these mixtures were examined. The flow performance of interactive mixtures was evaluated using measurements of conditioned bulk density, basic flowability energy, aeration energy and compressibility. With higher feed l-leucine concentrations, the surface roughness of small binder particles increased, while their cohesion decreased. Visual inspection of the SEM images of the blends indicated that the guest particles adhered to the surface of paracetamol resulting in effective formation of interactive mixtures. These images also showed that the low-cohesion guest particles were better de-agglomerated that consequently formed a more homogeneous interactive mixture with paracetamol compared with high-cohesion formulations. The flow performance of interactive mixtures changed as a function of the cohesion of the guest particles. Interactive mixtures with low-cohesion guest binder particles showed notably improved bulk flow performance compared with those containing high-cohesion guest binder particles. Thus, our study suggests that the cohesion of guest particles dictates the flow performance of interactive mixtures. Crown Copyright © 2016. Published by Elsevier B.V. All rights reserved.

The First Mediterranean Seminar on Science Writing, Editing and Publishing, Sarajevo, December 2-3, 2016

PubMed Central

Masic, Izet; Donev, Doncho; Sinanovic, Osman; Jakovljevic, Miro; Zerem, Enver; Milosevic, Dejan B.; Gajovic, Srecko; Gasparyan, Armen Yuri; Sokolovic, Sekib; Salkic, Nermin; Uzunovic, Selma; Dobric, Silva; Kurti, Floreta; Begic, Edin; Kurtcehajic, Admir

2016-01-01

The First Mediterranean Seminar on Science Writing, Editing & Publishing (SWEP 2016) was held in Sarajevo, Bosnia & Herzegovina from 2nd to 3rd December 2016. It was organized by Academy of Medical Sciences of Bosnia and Herzegovina, running concurrent sessions as part of its Annual Meeting titled “ “Days of AMNuBiH - Theory and Practice in Science Communication and Scientometrics”. Hotel Bosnia in the city centre was the chosen venue. On the first day, nineteen presentations on various issues of science writing and publication ethics were delivered by speakers from Croatia, Serbia, Macedonia, Albania, Bosnia & Herzegovina and the UK (Asim Kurjak, Milivoj Boranić, Doncho Donev, Osman Sinanović, Miro Jakovljević, Enver Zerem, Dejan Milošević, Silva Dobrić, Srećko Gajović, Izet Mašić, Armen Yuri Gasparyan, Šekib Sokolović, Nermin Salkić, Selma Uzunović, Admir Kurtčehajić, Edin Begić and Floreta Kurti). Each presentation had a take-home message for novice and seasoned authors, encountering numerous problems in non-Anglophone research environment. Lecturers, who were internationally recognized editors of regional journals, generously shared their experience of adhering to the best ethical guidance. Elegant presentations by Srećko Gajović (Editor-in-Chief of the Croatian Medical Journal) and Armen Yuri Gasparyan (past Chief Editor of the European Science Editing) showcased their accomplishments that strengthened ties between authors from all over the world. Gasparyan reflected on educational resources of editorial associations, such as the International Committee of Medical Journal Editors (ICMJE) and the Committee on Publication Ethics (COPE), and called not just to declare the adherence to, but also to enforce their ethical guidance in daily practice. Editors of Medical Archives, Croatian Medica Journal, Vojnosanitetski Pregled, Psychiatria Danubina, Acta Informatica Medica, Materia Socio-Medica, The Donald School Journal of Ultrasound in Obstretics and Gynecology, Acta Medica Saliniana and Medicinski Glasnik presented their editorial strategies aimed at attracting best authors and resolving problems with authorship, conflicts of interest, and plagiarism. Topical education on science writing and editing was considered as an inseparable part of continuing professional development in biomedicine. Armen Yuri Gasparyan (UK) was offered an opportunity to interact with more than 70 participants, attending the SWEP 2016 on the second day. The lecturer talked about author contributions, disclosures of conflicts of interests, plagiarism of ideas and words, research performance and impact indicators, and targeting ethical journals. Topics were presented in a way to help non-Anglophone authors, reviewers and editors avoid common ethical problems. Dr Gasparyan stressed the importance of regularly arranging such meetings across Balkan and Mediterranean countries to eradicate plagiarism and other forms research misconduct. The organizers of the SWEP 2016 awarded selected keynote speakers with certificates of lifetime achievement in journal editing, and decided to run the Seminar annually with support of Balkan and Mediterranean editors and publishers. The SWEP 2016 marked a turning point in the process of regional developments since all attending editors opted for nurturing enthusiasm of the organizers and launching the Mediterranean Association of Science Editors and Publishers (MASEP). The Seminar was a great success with its impressive scientific and social activities. It attracted more than 100 students, researchers, editors, and publishers from Bosnia & Herzegovina and neighbouring countries. Proceedings, in the form of short reports, were published in Acta Informatica Medica and archived in PubMed Central. New friendships were forged between regional experts in editing and young specialists during those unforgettable two days of intensive discussions and informal interactions (a-y). PMID:28077910

Guest molecules as a design element for metal–organic frameworks

DOE PAGES

Allendorf, Mark D.; Medishetty, Raghavender; Fischer, Roland A.

2016-11-07

The well-known synthetic versatility of MOFs is rooted in the ability to predict the metal ion coordination geometry and the vast possibilities to use organic chemistry to modify the linker groups. However, the use of “non-innocent” guest molecules as a component of framework design has been largely ignored. Nevertheless, recent reports show that the presence of guest molecules can have dramatic effects, even when these are seemingly innocuous species such as water or polar solvents. Advantages of using guests to impart new properties to MOFs include the relative ease of introducing new functionalities, the ability to modify the properties materialmore » at will by removing the guest or inserting different ones, and avoidance of the difficulties associated with synthesizing new frameworks, which can be challenging even when the basic topology remains constant. In this article we describe the “Guest@MOF” concept and provide examples illustrating its potential as a new MOF design element.« less

Untangling the Diverse Interior and Multiple Exterior Guest Interactions of a Supramolecular Host by the Simultaneous Analysis of Complementary Observables.

PubMed

Sgarlata, Carmelo; Raymond, Kenneth N

2016-07-05

The entropic and enthalpic driving forces for encapsulation versus sequential exterior guest binding to the [Ga4L6](12-) supramolecular host in solution are very different, which significantly complicates the determination of these thermodynamic parameters. The simultaneous use of complementary techniques, such as NMR, UV-vis, and isothermal titration calorimetry, enables the disentanglement of such multiple host-guest interactions. Indeed, data collected by each technique measure different components of the host-guest equilibria and together provide a complete picture of the solution thermodynamics. Unfortunately, commercially available programs do not allow for global analysis of different physical observables. We thus resorted to a novel procedure for the simultaneous refinement of multiple parameters (ΔG°, ΔH°, and ΔS°) by treating different observables through a weighted nonlinear least-squares analysis of a constrained model. The refinement procedure is discussed for the multiple binding of the Et4N(+) guest, but it is broadly applicable to the deconvolution of other intricate host-guest equilibria.

Host–guest complexes between cryptophane-C and chloromethanes revisited

PubMed Central

Takacs, Z; Soltesova, M; Kowalewski, J; Lang, J; Brotin, T; Dutasta, J-P

2013-01-01

Cryptophane-C is composed of two nonequivalent cyclotribenzylene caps, one of which contains methoxy group substituents on the phenyl rings. The two caps are connected by three OCH2CH2O linkers in an anti arrangement. Host–guest complexes of cryptophane-C with dichloromethane and chloroform in solution were investigated in detail by nuclear magnetic resonance techniques and density functional theory (DFT) calculations. Variable temperature proton and carbon-13 spectra show a variety of dynamic processes, such as guest exchange and host conformational transitions. The guest exchange was studied quantitatively by exchange spectroscopy measurements or by line-shape analysis. The conformational preferences of the guest-containing host were interpreted through cross-relaxation measurements, providing evidence of the gauche+2 and gauche−2 conformations of the linkers. In addition, the mobility of the chloroform guest inside the cavity was studied by carbon-13 relaxation experiments. Combining different types of evidence led to a detailed picture of molecular recognition, interpreted in terms of conformational selection. Copyright © 2012 John Wiley & Sons, Ltd. PMID:23132654

Spectroscopic investigation of different concentrations of the vapour deposited copper phthalocyanine as a "guest" in polyimide matrix.

PubMed

Georgiev, Anton; Yordanov, Dancho; Dimov, Dean; Assa, Jacob; Spassova, Erinche; Danev, Gencho

2015-04-05

Nanocomposite layers 250 nm copper phthalocyanine/polyimide prepared by simultaneous vapour deposition of three different sources were studied. Different concentrations of copper phthalocyanine as a "guest" in polyimide matrix as a function of conditions of the preparation have been determined by FTIR (Fourier Transform Infrared) and UV-VIS (Ultraviolet-Visible) spectroscopies. The aim was to estimate the possibility of the spectroscopic methods for quantitative determination of the "guest" and compare with the quality of the polyimide thin films in relation to the "guest" concentration. The band at 1334 cm(-1) has been used for quantitative estimation of "guest" in polyimide matrix. The concentrations of the copper phthalocyanine less than 20% require curve fitting techniques with Fourier self deconvolution. The relationship between "guest" concentrations and degree of imidization, as well as the electronic UV-VIS spectra are discussed in relation to the composition, imidization degree and the two crystallographic modification of the embedded chromophore. Copyright © 2015 Elsevier B.V. All rights reserved.

Guest Speakers in School-Based Sexuality Education

ERIC Educational Resources Information Center

McRee, Annie-Laurie; Madsen, Nikki; Eisenberg, Marla E.

2014-01-01

This study, using data from a statewide survey (n = 332), examined teachers' practices regarding the inclusion of guest speakers to cover sexuality content. More than half of teachers (58%) included guest speakers. In multivariate analyses, teachers who taught high school, had professional preparation in health education, or who received…

Review of Journal of Cardiovascular Magnetic Resonance (JCMR) 2015-2016 and transition of the JCMR office to Boston.

PubMed

Manning, Warren J

2017-12-28

The Journal of Cardiovascular Magnetic Resonance (JCMR) is the official publication of the Society for Cardiovascular Magnetic Resonance (SCMR). In 2016, the JCMR published 93 manuscripts, including 80 research papers, 6 reviews, 5 technical notes, 1 protocol, and 1 case report. The number of manuscripts published was similar to 2015 though with a 12% increase in manuscript submissions to an all-time high of 369. This reflects a decrease in the overall acceptance rate to <25% (excluding solicited reviews). The quality of submissions to JCMR continues to be high. The 2016 JCMR Impact Factor (which is published in June 2016 by Thomson Reuters) was steady at 5.601 (vs. 5.71 for 2015; as published in June 2016), which is the second highest impact factor ever recorded for JCMR. The 2016 impact factor means that the JCMR papers that were published in 2014 and 2015 were on-average cited 5.71 times in 2016.In accordance with Open-Access publishing of Biomed Central, the JCMR articles are published on-line in the order that they are accepted with no collating of the articles into sections or special thematic issues. For this reason, over the years, the Editors have felt that it is useful to annually summarize the publications into broad areas of interest or themes, so that readers can view areas of interest in a single article in relation to each other and other recent JCMR articles. The papers are presented in broad themes with previously published JCMR papers to guide continuity of thought in the journal. In addition, I have elected to open this publication with information for the readership regarding the transition of the JCMR editorial office to the Beth Israel Deaconess Medical Center, Boston and the editorial process.Though there is an author publication charge (APC) associated with open-access to cover the publisher's expenses, this format provides a much wider distribution/availability of the author's work and greater manuscript citation. For SCMR members, there is a substantial discount in the APC. I hope that you will continue to send your high quality manuscripts to JCMR for consideration. Importantly, I also ask that you consider referencing recent JCMR publications in your submissions to the JCMR and elsewhere as these contribute to our impact factor. I also thank our dedicated Associate Editors, Guest Editors, and reviewers for their many efforts to ensure that the review process occurs in a timely and responsible manner and that the JCMR continues to be recognized as the leading publication in our field.

Energy transfer in a mechanically trapped exciplex.

PubMed

Klosterman, Jeremy K; Iwamura, Munetaka; Tahara, Tahei; Fujita, Makoto

2009-07-15

Host-guest complexes involving M(6)L(4) coordination cages can display unusual photoreactivity, and enclathration of the very large fluorophore bisanthracene resulted in an emissive, mechanically trapped intramolecular exciplex. Mechanically linked intramolecular exciplexes are important for understanding the dependence of energy transfer on donor-acceptor distance, orientation, and electronic coupling but are relatively unexplored. Steady-state and picosecond time-resolved fluorescence measurements have revealed that selective excitation of the encapsulated guest fluorophore results in efficient energy transfer from the excited guest to an emissive host-guest exciplex state.

The guest-worker in Western Europe--an obituary.

PubMed

Castles, S

1986-01-01

The significance of guest workers is examined for six Western European countries. It is found that "the dynamics of the migratory process led to family reunification and settlement, against the original intentions of the workers, employers and states concerned. The recruitment of guest-workers stopped after 1974, but many migrants stayed on, becoming permanent ethnic minorities, in a situation of economic and social crisis. It is argued that guest-worker systems inevitably lead to permanent migration in the long run, and that it is better to plan for orderly settlement through appropriate policies." excerpt

Host-guest complexes of local anesthetics with cucurbit[6]uril and para-sulphonatocalix[8]arene in the solid state

NASA Astrophysics Data System (ADS)

Danylyuk, Oksana; Butkiewicz, Helena; Coleman, Anthony W.; Suwinska, Kinga

2017-12-01

Here we describe the host-guest inclusion complexes of local anesthetic drugs with two macrocyclic hosts cucurbit[6]uril and para-sulphonatocalix[8]arene in the solid state. The anesthetic agents used in the co-crystallization with the supramolecular hosts are lidocaine, procaine, procainamide, prilocaine and proparacaine. Both macrocycles encapsulate the alkylammonium moieties of anestetics guests into their cavities although the mechanism of complexation, host-guest stoichiometry and geometry differ depending on the nature of the supramolecular host.

Binding of carboxylate and trimethylammonium salts to octa-acid and TEMOA deep-cavity cavitands

NASA Astrophysics Data System (ADS)

Sullivan, Matthew R.; Sokkalingam, Punidha; Nguyen, Thong; Donahue, James P.; Gibb, Bruce C.

2017-01-01

In participation of the fifth statistical assessment of modeling of proteins and ligands (SAMPL5), the strength of association of six guests ( 3- 8) to two hosts ( 1 and 2) were measured by 1H NMR and ITC. Each host possessed a unique and well-defined binding pocket, whilst the wide array of amphiphilic guests possessed binding moieties that included: a terminal alkyne, nitro-arene, alkyl halide and cyano-arene groups. Solubilizing head groups for the guests included both positively charged trimethylammonium and negatively charged carboxylate functionality. Measured association constants ( K a ) covered five orders of magnitude, ranging from 56 M-1 for guest 6 binding with host 2 up to 7.43 × 106 M-1 for guest 6 binding to host 1.

Complexation of triptycene-derived macrotricyclic polyether with paraquat derivatives, diquat, and a 2,7-diazapyrenium salt: guest-induced conformational changes of the host.

PubMed

Han, Ying; Cao, Jing; Li, Peng-Fei; Zong, Qian-Shou; Zhao, Jian-Min; Guo, Jia-Bin; Xiang, Jun-Feng; Chen, Chuan-Feng

2013-04-05

Complexation between a triptycene-derived macrotricyclic polyether containing two dibenzo-[30]-crown-10 cavities and different functionalized paraquat derivatives, diquat, and a 2,7-diazapyrenium salt in both solution and solid state was investigated in detail. It was found that depending on the guests with different terminal functional groups and structures, the macrotricyclic polyether could form 1:1 or 1:2 complexes with the guests in different complexation modes in solution and also in the solid state. Especially, the conformation of the macrotricyclic polyether was efficiently adjusted by the encapsulated guests, which was to some extent similar to substrate-induced fit of enzymes. Moreover, the binding and releasing of the guests in the complexes could be controlled by potassium ions.

NMR Investigation of Chloromethane Complexes of Cryptophane-A and Its Analogue with Butoxy Groups

PubMed Central

2014-01-01

Host–guest complexes between cryptophane-A as host and dichloromethane and chloroform as guests are investigated using 1H and 13C NMR spectroscopy. Moreover, a related cryptophane, with the methoxy groups replaced by butoxy units (cryptophane-But), and its complexes with the same guests were also studied. Variable temperature spectra showed effects of chemical exchange between the free and bound guests, as well as of conformational exchange of the host. The guest exchange was studied quantitatively by exchange spectroscopy or line shape analysis. Extraction of kinetic and thermodynamic parameters led to the characterization of the affinity between guests and hosts. On the other hand, the host exchange was investigated by means of 13C Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion which aims at the determination of the transverse relaxation rate R2, the inverse of the transverse relaxation time T2, as a function of the repetition of the π pulses in a CPMG train. The variation of the measured transverse relaxation rate with the repetition rate νCPMG indicated conformational exchange occurring on the microsecond–millisecond time scale. Structural information was obtained through measurements of cross-relaxation rates, both within the host and between the host and the guest protons. The NMR results were supported by DFT calculations. PMID:24472055

Prediction of clathrate structure type and guest position by molecular mechanics.

PubMed

Fleischer, Everly B; Janda, Kenneth C

2013-05-16

The clathrate hydrates occur in various types in which the number, size, and shape of the various cages differ. Usually the clathrate type of a specific guest is predicted by the size and shape of the molecular guest. We have developed a methodology to determine the clathrate type employing molecular mechanics with the MMFF force field employing a strategy to calculate the energy of formation of the clathrate from the sum of the guest/cage energies. The clathrate type with the most negative (most stable) energy of formation would be the type predicted (we mainly focused on type I, type II, or bromine type). This strategy allows for a calculation to predict the clathrate type for any cage guest in a few minutes on a laptop computer. It proved successful in predicting the clathrate structure for 46 out of 47 guest molecules. The molecular mechanics calculations also provide a prediction of the guest position within the cage and clathrate structure. These predictions are generally consistent with the X-ray and neutron diffraction studies. By supplementing the diffraction study with molecular mechanics, we gain a more detailed insight regarding the details of the structure. We have also compared MM calculations to studies of the multiple occupancy of the cages. Finally, we present a density functional calculation that demonstrates that the inside of the clathrates cages have a relatively uniform and low electrostatic potential in comparison with the outside oxygen and hydrogen atoms. This implies that van der Waals forces will usually be dominant in the guest-cage interactions.

Guest Chain ``Melting'' in Incommensurate Host-Guest Potassium

NASA Astrophysics Data System (ADS)

McBride, Emma; Munro, Keith; McMahon, Malcolm

2013-06-01

Upon increasing pressure the group-I elements transform from close-packed structures (bcc and fcc) to a series of low-symmetry complex structures. Residing in the middle of the group, potassium (K) has numerous structures in common with its neighbours, and, in fact, is remarkably structurally similar to sodium (Na) and rubidium (Rb). For example, the post-fcc transition in K is to a composite incommensurate host-guest structure (tI19), and the host structure of this phase is isostructural with that found in Na and Rb. Previously we have reported that below 16.7GPa, the Bragg peaks from the guest component of tI19-Rb broaden considerably, signalling a loss of the inter-chain correlation, or a ``melting'' of the chains. Furthermore, in tI19-Na above 125 GPa, the Bragg peaks from the guest component are also broadened, suggesting that the guest chains are also nearly ``melted.'' During studies of the melting curve of K, we observed that the guest peaks from tI19-K broaden dramatically on heating. Here we report single-crystal, quasi-single-crystal, and powder synchrotron x-ray diffraction measurements of tI19-K to 50 GPa and 800 K, which allowed a detailed study of this chain ``melting'' transition. The order-disorder transition is clearly visible over a 30 GPa pressure range, and there are significant changes in the gradient of the phase boundary, which may be influenced by the nature of the guest structure. Furthermore, data extending the melting curve will also be presented.

ccML, a new mark-up language to improve ISO/EN 13606-based electronic health record extracts practical edition

PubMed Central

Sánchez-de-Madariaga, Ricardo; Muñoz, Adolfo; Cáceres, Jesús; Somolinos, Roberto; Pascual, Mario; Martínez, Ignacio; Salvador, Carlos H; Monteagudo, José Luis

2013-01-01

Objective The objective of this paper is to introduce a new language called ccML, designed to provide convenient pragmatic information to applications using the ISO/EN13606 reference model (RM), such as electronic health record (EHR) extracts editors. EHR extracts are presently built using the syntactic and semantic information provided in the RM and constrained by archetypes. The ccML extra information enables the automation of the medico-legal context information edition, which is over 70% of the total in an extract, without modifying the RM information. Materials and Methods ccML is defined using a W3C XML schema file. Valid ccML files complement the RM with additional pragmatics information. The ccML language grammar is defined using formal language theory as a single-type tree grammar. The new language is tested using an EHR extracts editor application as proof-of-concept system. Results Seven ccML PVCodes (predefined value codes) are introduced in this grammar to cope with different realistic EHR edition situations. These seven PVCodes have different interpretation strategies, from direct look up in the ccML file itself, to more complex searches in archetypes or system precomputation. Discussion The possibility to declare generic types in ccML gives rise to ambiguity during interpretation. The criterion used to overcome ambiguity is that specificity should prevail over generality. The opposite would make the individual specific element declarations useless. Conclusion A new mark-up language ccML is introduced that opens up the possibility of providing applications using the ISO/EN13606 RM with the necessary pragmatics information to be practical and realistic. PMID:23019241

Diffusion of a Highly-Charged Supramolecular Assembly: Direct Observation of Ion-Association in Water

DOE Office of Scientific and Technical Information (OSTI.GOV)

University of California, Berkeley; Lawrence Berkeley National Laboratory; Raymond, Kenneth

2007-10-22

Understanding the solution behavior of supramolecular assemblies is essential for a full understanding of the formation and chemistry of synthetic host-guest systems. While the interaction between host and guest molecules is generally the focus of mechanistic studies of host-guest complexes, the interaction of the host-guest complex with other species in solution remains largely unknown, although in principle accessible by diffusion studies. Several NMR techniques are available to monitor diffusion and have recently been reviewed. Pulsed gradient spin-echo (PGSE) NMR methods have attracted increasing interest, since they allow diffusion coefficients to be measured with high accuracy; they have been successfully usedmore » with observation of {sup 7}Li and {sup 31}P nuclei as well as with {sup 1}H NMR. We report here the direct measurement of diffusion coefficients to observe ion-association interactions by counter cations with a highly-charged supramolecular assembly. Raymond and coworkers have described the design and chemistry of a class of metal-ligand supramolecular assemblies over the past decade. The [Ga{sub 4}L{sub 6}]{sup 12-} (L = 1,5-bis(2,3-dihydroxybenzamido)naphthalene) (1) (Figure 1) assembly has garnered the most attention, with the exploration of the dynamics and mechanism of guest exchange as well as the ability of 1 to achieve either stoichiometric or catalytic reactions inside its interior cavity. Recent studies have revealed the importance of counter cations in solution on the chemistry of 1. During the mechanistic study of the C-H bond activation of aldehydes by [Cp*Ir(PMe{sub 3})(olefin){sup +} {contained_in} 1]{sup 11-} a stepwise guest dissociation mechanism with an ion-paired intermediate was proposed. Similarly, in the mechanism for the hydrolysis of iminium cations generated from the 3-aza Cope rearrangement of enammonium cations in 1, the presence of an exterior ion association was part of the kinetic model. To further substantiate the indirect kinetic evidence for such ion-paired species, we sought to explore the solution behavior of 1 by studying the diffusion of 1 with varying alkali and tetraalkyl ammonium cations. For large molecules in solution, such as synthetic supramolecular assemblies, the diffusion behavior of host and guest molecules can provide valuable information on host-guest interaction. One characteristic feature of a stable host-guest complex is that the host and guest molecules diffuse at the same rate in solution; this has been observed in a number of supramolecular systems. In order to confirm that this system was suitable for study by diffusion NMR spectroscopy, a PGSE-DOSY spectrum was acquired of [NEt{sub 4} {contained_in} 1]{sup 11-} (Figure 2), which shows that the host and guest molecules diffuse at the same rate. Quantitative analysis of the data, from monitoring the integral of host and guest resonances as a function of applied gradient strength, gave identical diffusion coefficients, confirming that the host and guest molecules diffuse together.« less

MS Linenger in sleep restraint

NASA Image and Video Library

1997-01-12

STS081-E-5006 (12 Jan. 1997) --- Aboard the Space Shuttle Atlantis on its first day in orbit for the mission, astronaut Jerry M. Linenger, mission specialist, has arranged his sleep station to his liking and prepares for his first rest period. Linenger and five crew mates are flying the Spacehab Double Module (DM), replete with supplies for the three-man crew aboard Russia's Mir Space Station with which Atlantis will be docking later in the week. Linenger will trade places with John E. Blaha marking the second such exchange of American astronaut - cosmonaut guest researcher's aboard Mir. Blaha had replaced Shannon W. Lucid in September of 1996. The scene was recorded with an Electronic Still Camera (ESC) and later downlinked to flight controllers in Houston, Texas.

Preparation of 5-benzotriazolyl-4-hydroxy-3- sec-butylbenzenesulfonate anion-intercalated layered double hydroxide and its photostabilizing effect on polypropylene

NASA Astrophysics Data System (ADS)

Li, Dianqing; Tuo, Zhenjun; Evans, David G.; Duan, Xue

2006-10-01

An organic UV absorber has been intercalated into a layered double hydroxide (LDH) host by ion-exchange method using ZnAl-NO 3-LDH as a precursor with an aqueous solution of the sodium salt of 5-benzotriazolyl-4-hydroxy-3- sec-butylbenzenesulfonic acid (BZO). After intercalation of the UV absorber, the interlayer distance in the LDHs increases from 0.89 to 2.32 nm. Infrared spectra and thermogravimetry and differential thermal analysis (TG-DTA) curves reveal the presence of a complex system of supramolecular host-guest interactions. The thermostability of BZO is markedly enhanced by intercalation in the LDH host. ZnAl-BZO-LDHs/polypropylene composite materials exhibit excellent UV photostability.

Can we beat the biotin-avidin pair?: cucurbit[7]uril-based ultrahigh affinity host-guest complexes and their applications.

PubMed

Shetty, Dinesh; Khedkar, Jayshree K; Park, Kyeng Min; Kim, Kimoon

2015-12-07

The design of synthetic, monovalent host-guest molecular recognition pairs is still challenging and of particular interest to inquire into the limits of the affinity that can be achieved with designed systems. In this regard, cucurbit[7]uril (CB[7]), an important member of the host family cucurbit[n]uril (CB[n], n = 5-8, 10, 14), has attracted much attention because of its ability to form ultra-stable complexes with multiple guests. The strong hydrophobic effect between the host cavity and guests, ion-dipole and dipole-dipole interactions of guests with CB portals helps in cooperative and multiple noncovalent interactions that are essential for realizing such strong complexations. These highly selective, strong yet dynamic interactions can be exploited in many applications including affinity chromatography, biomolecule immobilization, protein isolation, biological catalysis, and sensor technologies. In this review, we summarize the progress in the development of high affinity guests for CB[7], factors affecting the stability of complexes, theoretical insights, and the utility of these high affinity pairs in different challenging applications.

Complexation of imidazopyridine-based cations with a 24-crown-8 ether host: [2]pseudorotaxane and partially threaded structures.

PubMed

Moreno-Olivares, Surisadai I; Cervantes, Ruy; Tiburcio, Jorge

2013-11-01

A new series of linear molecules derived from 1,2-bis(imidazopyridin-2-yl)ethane can fully or partially penetrate the cavity of the dibenzo-24-crown-8 macrocycle to produce a new family of host-guest complexes. Protonation or alkylation of the nitrogen atoms on the pyridine rings led to an increase in the guest total positive charge up to 4+ and simultaneously generated two new recognition sites (pyridinium motifs) that are in competition with the 1,2-bis(benzimidazole)ethane motif for the crown ether. The relative position of the pyridine ring and the chemical nature of the N-substituent determined the preferred motif and the host-guest complex geometry: (i) for linear guests with relatively bulky groups (i.e., a benzyl substituent), the 1,2-bis(benzimidazole)ethane motif is favored, leading to a fully threaded complex with a [2]pseudorotaxane geometry; (ii) for small substituents, such as -H and -CH3 groups, regardless of the guest shape, the pyridinium motifs are preferred, leading to external partially threaded complexes in a 2:1 host to guest stoichiometry.

Effect of pore occupancy on the acoustic properties of zeolitic imidazolate framework (ZIF)-8: A Brillouin spectroscopic study at ambient and low temperatures

NASA Astrophysics Data System (ADS)

Radhakrishnan, Dhanya; Narayana, Chandrabhas

2015-12-01

Brillouin spectroscopy is used to study the effect of pore occupancy on the elastic constants by incorporating various guest molecules into zeolitic imidazolate framework (ZIF)-8. A systematic study on the effect of mass and polarizability of the guest has been carried out by incorporating alcohols of varying chain lengths at room temperature. The interaction between the guest and host affects the elastic properties, lifetimes and guest dynamics inside the pores. The elastic anisotropy was seen to reduce upon incorporation of the guests. We have also studied the temperature dependence of the acoustic modes on gas adsorption to understand the framework flexibility. The Brillouin shift of the acoustic modes increases upon temperature dependent gas adsorption with transverse acoustic modes exhibiting a larger shift. This suggests a hardening of otherwise low shear modulus of ZIF-8. Our findings give insight into the role of guest molecules and temperature in tuning the elastic properties of ZIF-8 which is important for practical applications.

Amphiphilic inclusion spaces for various guests and regulation of fluorescence intensity of 1,8-bis(4-aminophenyl)anthracene crystals.

PubMed

Sugino, Misa; Hatanaka, Keisuke; Araki, Yusuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu

2014-03-10

A host framework for inclusion of various guest molecules was investigated by preparation of inclusion crystals of 1,8-bis(4-aminophenyl)anthracene (1,8-BAPA) with organic solvents. X-ray crystallographic analysis revealed construction of the same inclusion space incorporating 1,8-BAPA and eight guest molecules including both non-polar (benzene) and polar guests (N,N-dimethylformamide, DMF). Fluorescence efficiencies varied depending on guest molecule polarity; DMF inclusion crystals exhibited the highest fluorescence intensity (ΦF=0.40), four times as high as that of a benzene inclusion crystal (ΦF=0.10). According to systematic investigations of inclusion phenomena, strong host–guest interactions and filling of the inclusion space led to a high fluorescence intensity. Temperature-dependent fluorescence spectral measurements revealed these factors effectively immobilised the host framework. Although hydrogen bonding commonly decreases fluorescence intensity, the present study demonstrated that such strong interactions provide excellent conditions for fluorescence enhancement. Thus, this remarkable behaviour has potential application toward sensing of highly polar molecules, such as biogenic compounds.

Molecular recognition of curcumin (Indian Ayurvedic medicine) by the supramolecular probe, p-t-butyl calix(8)arene

NASA Astrophysics Data System (ADS)

Meenakshi, C.; Jayabal, P.; Ramakrishnan, V.

2014-06-01

The thermodynamic property of the host-guest complexes formed between the curcumin, component of Indian Ayurvedic medicine turmeric, a drug molecule, with the supra molecule, p-t-butyl calix(8)arene was studied. p-t-Butyl calix(8)arene has been used as a host molecule and curcumin as a guest molecule. Optical absorption spectral studies were carried out to investigate the molecular recognition properties of p-t-butyl calix(8)arene with curcumin. The stochiometry of the host-guest complexes formed and the binding constant were determined. An interesting 1:1 and 4:1 stochiometric host-guest complexes were formed. Job's continuous method of variation and Benesi-Hildebrand expression were used for the determination of binding constant and the stochiometry of the host-guest complex formed.

Electrical conductivity behavior of Gum Arabic biopolymer-Fe3O4 nanocomposites

NASA Astrophysics Data System (ADS)

Bhakat, D.; Barik, P.; Bhattacharjee, A.

2018-01-01

Present work reports a study on the electrical conduction properties of some composites of Gum Arabic biopolymer and magnetite nanoparticles as host and guest, respectively, synthesized in different weight percentages. The nanocomposites are found to be non-extrinsic type of semiconductors with guest content dependent trap distribution of charge carriers. Conductivity of these materials increases with increasing guest content along with a concomitant decrease in the activation energy. Percolation theory has been employed for the analysis of the electrical conductivity results to explore the effect of the guest on the electrical conductivity of the host.

AGU Publications Volunteers Feted At Elegant Editors' Evening

NASA Astrophysics Data System (ADS)

Panning, Jeanette

2013-01-01

The 2012 Fall Meeting Editors' Evening, held at the City Club of San Francisco, was hosted by the Publications Committee and is the premier social event for editors and associate editors attending the Fall Meeting. The evening commenced with a welcome from Carol Finn, incoming AGU president, in which she expressed her thanks to the editors and associate editors for volunteering their time to benefit AGU.

A Student-Centered Guest Lecturing: A Constructivism Approach to Promote Student Engagement

ERIC Educational Resources Information Center

Li, Lei; Guo, Rong

2015-01-01

Student engagement has become a big challenge in higher education, especially when distance learning is getting more and more popular. Guest lecturing is a popular method to bring relevance to the classroom and engage in students. Ground on the theory of constructivism, this paper introduces a student-centered guest lecturing that allows students…

Be My Guest: A Survey of Mass Communication Students' Perception of Guest Speakers

ERIC Educational Resources Information Center

Merle, Patrick F.; Craig, Clay

2017-01-01

The use of guest speakers as a pedagogical technique across disciplines at the college level is hardly novel. However, empirical assessment of journalism and mass communication students' perceptions of this practice has not previously been conducted. To fill this gap, this article presents results from an online survey specifically administered to…

Dynamic free energy surfaces for sodium diffusion in type II silicon clathrates.

PubMed

Slingsby, J G; Rorrer, N A; Krishna, L; Toberer, E S; Koh, C A; Maupin, C M

2016-02-21

Earth abundant semiconducting type II Si clathrates have attracted attention as photovoltaic materials due to their wide band gaps. To realize the semiconducting properties of these materials, guest species that arise during the synthesis process must be completely evacuated from the host cage structure post synthesis. A common guest species utilized in the synthesis of Si clathrates is Na (metal), which templates the clathrate cage formation. Previous experimental investigations have identified that it is possible to evacuate Na from type II clathrates to an occupancy of less than 1 Na per unit cell. This work investigates the energetics, kinetics, and resulting mechanism of Na diffusion through type II Si clathrates by means of biased molecular dynamics and kinetic Monte Carlo simulations. Well-tempered metadynamics has been used to determine the potential of mean force for Na moving between clathrate cages, from which the thermodynamic preferences and transition barrier heights have been obtained. Kinetic Monte Carlo simulations based on the metadynamics results have identified the mechanism of Na diffusion in type II Si clathrates. The overall mechanism consists of a coupled diffusive process linked via electrostatic guest-guest interactions. The large occupied hexakaidechedral cages initially empty their Na guests to adjacent empty large cages, thereby changing the local electrostatic environment around the occupied small pentagonal dodecahedral cages and increasing the probability of Na guests to leave the small cages. This coupled process continues through the cross-over point that is identified as the point where large and small cages are equally occupied by Na guests. Further Na removal results in the majority of guests residing in the large cages as opposed to the small cages, in agreement with experiments, and ultimately a Na free structure.

Perspectives of host faculty and trainees on international visiting faculty to paediatric academic departments in East Africa

PubMed Central

Russ, Christiana M; Ganapathi, Lakshmi; Marangu, Diana; Silverman, Melanie; Kija, Edward; Bakeera-Kitaka, Sabrina; Laving, Ahmed

2016-01-01

Background Investments in faculty exchanges to build physician workforce capacity are increasing. Little attention has been paid to the expectations of host institution faculty and trainees. This prospective qualitative research study explored faculty and resident perspectives about guest faculty in paediatric departments in East Africa, asking (1) What are the benefits and challenges of hosting guest faculty, (2) What factors influence the effectiveness of faculty visits and (3) How do host institutions prepare for faculty visits? Methods We recruited 36 faculty members and residents from among four paediatric departments in East Africa to participate in semistructured interviews which were audio recorded and transcribed. Data were qualitatively analysed using principles of open coding and thematic analysis. We achieved saturation of themes. Results Benefits of faculty visits varied based on the size and needs of host institutions. Emergent themes included the importance of guest faculty time commitment, and mutual preparation to ensure that visit goals and scheduling met host needs. We documented conflicts that developed around guest emotional responses and ethical approaches to clinical resource limitations, which some hosts tried to prepare for and mitigate. Imbalance in resources led to power differentials; some hosts sought partnerships to re-establish control over the process of having guests. Conclusions We identified that guest faculty can assist paediatric institutions in building capacity; however, effective visits require: (1) mutually agreed on goals with appropriate scheduling, visit length and commitment to ensure that the visits meet the host's needs, (2) careful selection and preparation of guest faculty to meet the host's goals, (3) emotional preparation by prospective guests along with host orientation to clinical work in the host's setting and (4) attention to funding sources for the visit and mitigation of resulting power differentials. PMID:28588960

Photocaged Competitor Guests: A General Approach Toward Light-Activated Cargo Release From Cucurbiturils.

PubMed

Romero, Miguel A; Basílio, Nuno; Moro, Artur J; Domingues, Mara; González-Delgado, José A; Arteaga, Jesús F; Pischel, Uwe

2017-09-21

A general approach toward the light-induced guest release from cucurbit[7]uril by means of a photoactivatable competitor was devised. An o-nitrobenzyl-caged competitor is photolyzed to generate a competitive guest that can displace cargo from the host macrocycle solely based on considerations of chemical equilibrium. With this method the release of terpene guests from inclusion complexes with cucurbit[7]uril was demonstrated. The binding of the herein investigated terpenes, all being lead fragrant components in essential oils, has been characterized for the first time. They feature binding constants of up to 10 8  L mol -1 and a high differential binding selectivity (spanning four orders of magnitude for the binding constants for the particular set of terpenes). By fine-tuning the photoactivatable competitor guest, selective and also sequential release of the terpenes was achieved. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural transitions and guest/host complexing of liquid crystal helical nanofilaments induced by nanoconfinement.

PubMed

Kim, Hanim; Ryu, Seong Ho; Tuchband, Michael; Shin, Tae Joo; Korblova, Eva; Walba, David M; Clark, Noel A; Yoon, Dong Ki

2017-02-01

A lamellar liquid crystal (LC) phase of certain bent-core mesogenic molecules can be grown in a manner that generates a single chiral helical nanofilament in each of the cylindrical nanopores of an anodic aluminum oxide (AAO) membrane. By introducing guest molecules into the resulting composite chiral nanochannels, we explore the structures and functionality of the ordered guest/host LC complex, verifying the smectic-like positional order of the fluidic nematic LC phase, which is obtained by the combination of the LC organization and the nanoporous AAO superstructure. The guest nematic LC 4'- n -pentyl-4-cyanobiphenyl is found to form a distinctive fluid layered ordered LC complex at the nanofilament/guest interface with the host 1,3-phenylene bis[4-(4-nonyloxyphenyliminomethyl)benzoate], where this interface contacts the AAO cylinder wall. Filament growth form is strongly influenced by mixture parameters and pore dimensions.

Supramolecular guests in solvent driven block copolymer assembly: From internally structured nanoparticles to micelles

PubMed Central

Klinger, Daniel; Robb, Maxwell J.; Spruell, Jason M.; Lynd, Nathaniel A.; Hawker, Craig J.

2014-01-01

Supramolecular interactions between different hydrogen-bonding guests and poly(2-vinyl pyridine)-block-poly (styrene) can be exploited to prepare remarkably diverse self-assembled nanostructures in dispersion from a single block copolymer (BCP). The characteristics of the BCP can be efficiently controlled by tailoring the properties of a guest which preferentially binds to the P2VP block. For example, the incorporation of a hydrophobic guest creates a hydrophobic BCP complex that forms phase separated nanoparticles upon self-assembly. Conversely, the incorporation of a hydrophilic guest results in an amphiphilic BCP complex that forms spherical micelles in water. The ability to tune the self-assembly behavior and access dramatically different nanostructures from a single BCP substrate demonstrates the exceptional versatility of the self-assembly of BCPs driven by supramolecular interactions. This approach represents a new methodology that will enable the further design of complex, responsive self-assembled nanostructures. PMID:25525473

Structural transitions and guest/host complexing of liquid crystal helical nanofilaments induced by nanoconfinement

PubMed Central

Kim, Hanim; Ryu, Seong Ho; Tuchband, Michael; Shin, Tae Joo; Korblova, Eva; Walba, David M.; Clark, Noel A.; Yoon, Dong Ki

2017-01-01

A lamellar liquid crystal (LC) phase of certain bent-core mesogenic molecules can be grown in a manner that generates a single chiral helical nanofilament in each of the cylindrical nanopores of an anodic aluminum oxide (AAO) membrane. By introducing guest molecules into the resulting composite chiral nanochannels, we explore the structures and functionality of the ordered guest/host LC complex, verifying the smectic-like positional order of the fluidic nematic LC phase, which is obtained by the combination of the LC organization and the nanoporous AAO superstructure. The guest nematic LC 4′-n-pentyl-4-cyanobiphenyl is found to form a distinctive fluid layered ordered LC complex at the nanofilament/guest interface with the host 1,3-phenylene bis[4-(4-nonyloxyphenyliminomethyl)benzoate], where this interface contacts the AAO cylinder wall. Filament growth form is strongly influenced by mixture parameters and pore dimensions. PMID:28246642

New generation non-stationary portable neutron generators for biophysical applications of Neutron Activation Analysis.

PubMed

Marchese, N; Cannuli, A; Caccamo, M T; Pace, C

2017-01-01

Neutron sources are increasingly employed in a wide range of research fields. For some specific purposes an alternative to existing large-scale neutron scattering facilities, can be offered by the new generation of portable neutron devices. This review reports an overview for such recently available neutron generators mainly addressed to biophysics applications with specific reference to portable non-stationary neutron generators applied in Neutron Activation Analysis (NAA). The review reports a description of a typical portable neutron generator set-up addressed to biophysics applications. New generation portable neutron devices, for some specific applications, can constitute an alternative to existing large-scale neutron scattering facilities. Deuterium-Deuterium pulsed neutron sources able to generate 2.5MeV neutrons, with a neutron yield of 1.0×10 6 n/s, a pulse rate of 250Hz to 20kHz and a duty factor varying from 5% to 100%, when combined with solid-state photon detectors, show that this kind of compact devices allow rapid and user-friendly elemental analysis. "This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazù and Dr. Federica Migliardo". Copyright © 2016 Elsevier B.V. All rights reserved.

MS-READ: Quantitative measurement of amino acid incorporation.

PubMed

Mohler, Kyle; Aerni, Hans-Rudolf; Gassaway, Brandon; Ling, Jiqiang; Ibba, Michael; Rinehart, Jesse

2017-11-01

Ribosomal protein synthesis results in the genetically programmed incorporation of amino acids into a growing polypeptide chain. Faithful amino acid incorporation that accurately reflects the genetic code is critical to the structure and function of proteins as well as overall proteome integrity. Errors in protein synthesis are generally detrimental to cellular processes yet emerging evidence suggest that proteome diversity generated through mistranslation may be beneficial under certain conditions. Cumulative translational error rates have been determined at the organismal level, however codon specific error rates and the spectrum of misincorporation errors from system to system remain largely unexplored. In particular, until recently technical challenges have limited the ability to detect and quantify comparatively rare amino acid misincorporation events, which occur orders of magnitude less frequently than canonical amino acid incorporation events. We now describe a technique for the quantitative analysis of amino acid incorporation that provides the sensitivity necessary to detect mistranslation events during translation of a single codon at frequencies as low as 1 in 10,000 for all 20 proteinogenic amino acids, as well as non-proteinogenic and modified amino acids. This article is part of a Special Issue entitled "Biochemistry of Synthetic Biology - Recent Developments" Guest Editor: Dr. Ilka Heinemann and Dr. Patrick O'Donoghue. Copyright © 2017 Elsevier B.V. All rights reserved.

Preface to the special issue on "Integrated Microwave Photonic Signal Processing"

NASA Astrophysics Data System (ADS)

Azaña, José; Yao, Jianping

2016-08-01

As Guest Editors, we are pleased to introduce this special issue on ;Integrated Microwave Photonic Signal Processing; published by the Elsevier journal Optics Communications. Microwave photonics is a field of growing importance from both scientific and practical application perspectives. The field of microwave photonics is devoted to the study, development and application of optics-based techniques and technologies aimed to the generation, processing, control, characterization and/or distribution of microwave signals, including signals well into the millimeter-wave frequency range. The use of photonic technologies for these microwave applications translates into a number of key advantages, such as the possibility of dealing with high-frequency, wide bandwidth signals with minimal losses and reduced electromagnetic interferences, and the potential for enhanced reconfigurability. The central purpose of this special issue is to provide an overview of the state of the art of generation, processing and characterization technologies for high-frequency microwave signals. It is now widely accepted that the practical success of microwave photonics at a large scale will essentially depend on the realization of high-performance microwave-photonic signal-processing engines in compact and integrated formats, preferably on a chip. Thus, the focus of the issue is on techniques implemented using integrated photonic technologies, with the goal of providing an update of the most recent advances toward realization of this vision.

A review of electron-phonon coupling seen in the high-Tc superconductors by angle-resolved photoemission studies (ARPES)

NASA Astrophysics Data System (ADS)

Cuk, T.; Lu, D. H.; Zhou, X. J.; Shen, Z.-X.; Devereaux, T. P.; Nagaosa, N.

2005-01-01

This issue of pss (b) - basic solid state physics contains a collection of Review Articles on the rather controversially discussed topic of Electron-Phonon Interaction in High-Temperature Superconductors, guest-edited by Miodrag Kuli, Johann Wolfgang Goethe-Universität Frankfurt/Main, Germany, with a Preface written by V. L. Ginzburg and E. G. Maksimov [1].The cover picture, taken from the review [2] by T. Cuk et al., shows plots of the electron-phonon coupling vertex, g2(k, k), where k, k are the initial and final electron momentum for electrons scattered by the bond-buckling phonon B1g (the out-of-phase vibration of the in-plane oxygen) in a tight-binding model of the copper-oxygen plane. The momentum dependence of this vertex, along with the d-wave superconducting gap and the van Hove singularity at the anti-node, accounts for the momentum dependence of the collective mode coupling seen in angle-resolved photoemission data on Bi2212.The present issue also sees the start of our rapid research letters, the fastest peer-reviewed publication medium in solid state physics. For more information see www.pss-rapid.com and the Editorial by the Editor-in-Chief Martin Stutzmann on page 7 [3].

Neoclassic drug discovery: the case for lead generation using phenotypic and functional approaches.

PubMed

Lee, Jonathan A; Berg, Ellen L

2013-12-01

Innovation and new molecular entity production by the pharmaceutical industry has been below expectations. Surprisingly, more first-in-class small-molecule drugs approved by the U.S. Food and Drug Administration (FDA) between 1999 and 2008 were identified by functional phenotypic lead generation strategies reminiscent of pre-genomics pharmacology than contemporary molecular targeted strategies that encompass the vast majority of lead generation efforts. This observation, in conjunction with the difficulty in validating molecular targets for drug discovery, has diminished the impact of the "genomics revolution" and has led to a growing grassroots movement and now broader trend in pharma to reconsider the use of modern physiology-based or phenotypic drug discovery (PDD) strategies. This "From the Guest Editors" column provides an introduction and overview of the two-part special issues of Journal of Biomolecular Screening on PDD. Terminology and the business case for use of PDD are defined. Key issues such as assay performance, chemical optimization, target identification, and challenges to the organization and implementation of PDD are discussed. Possible solutions for these challenges and a new neoclassic vision for PDD that combines phenotypic and functional approaches with technology innovations resulting from the genomics-driven era of target-based drug discovery (TDD) are also described. Finally, an overview of the manuscripts in this special edition is provided.

Ongoing ethical issues concerning authorship in biomedical journals: an integrative review.

PubMed

Kornhaber, Rachel Anne; McLean, Loyola M; Baber, Rodney J

2015-01-01

Health professionals publishing within the field of health sciences continue to experience issues concerning appropriate authorship, which have clinical, ethical, and academic implications. This integrative review sought to explore the key issues concerning authorship from a bioethical standpoint, aiming to explore the key features of the authorship debate. Studies were identified through an electronic search, using the PubMed, Cumulative Index to Nursing and Allied Health Literature (CINAHL), and Scopus databases of peer-reviewed research, published between 2009 and 2014, limited to English language research, with search terms developed to reflect the current issues of authorship. From among the 279 papers identified, 20 research papers met the inclusion criteria. Findings were compiled and then arranged to identify themes and relationships. The review incorporated a wide range of authorship issues encompassing equal-credited authors, honorary (guest/gift) and ghost authorship, perception/experiences of authorship, and guidelines/policies. This review suggests that the International Committee of Medical Journal Editors' (ICMJE) recommended guidelines for authorship are not reflected in current authorship practices within the domain of health sciences in both low-and high-impact-factor journals. This devaluing of the true importance of authorship has the potential to affect the validity of authorship, diminish the real contributions of the true authors, and negatively affect patient care.

Melt Extrusion of High-Dose Co-Amorphous Drug-Drug Combinations : Theme: Formulation and Manufacturing of Solid Dosage Forms Guest Editors: Tony Zhou and Tonglei Li.

PubMed

Arnfast, Lærke; Kamruzzaman, Md; Löbmann, Korbinian; Aho, Johanna; Baldursdottir, Stefania; Rades, Thomas; Rantanen, Jukka

2017-12-01

Many future drug products will be based on innovative manufacturing solutions, which will increase the need for a thorough understanding of the interplay between drug material properties and processability. In this study, hot melt extrusion of a drug-drug mixture with minimal amount of polymeric excipient was investigated. Using indomethacin-cimetidine as a model drug-drug system, processability of physical mixtures with and without 5% (w/w) of polyethylene oxide (PEO) were studied using Differential Scanning Calorimetry (DSC) and Small Amplitude Oscillatory Shear (SAOS) rheometry. Extrudates containing a co-amorphous glass solution were produced and the solid-state composition of these was studied with DSC. Rheological analysis indicated that the studied systems display viscosities higher than expected for small molecule melts and addition of PEO decreased the viscosity of the melt. Extrudates of indomethacin-cimetidine alone displayed amorphous-amorphous phase separation after 4 weeks of storage, whereas no phase separation was observed during the 16 week storage of the indomethacin-cimetidine extrudates containing 5% (w/w) PEO. Melt extrusion of co-amorphous extrudates with low amounts of polymer was found to be a feasible manufacturing technique. Addition of 5% (w/w) polymer reduced melt viscosity and prevented phase separation.

2017 in-training initiative of the Journal of Assisted Reproduction and Genetics: the JARG Young Investigator Forum.

PubMed

Goldman, Kara N; Patrizio, Pasquale; Albertini, David

2017-01-01

The Journal of Assisted Reproduction and Genetics introduces the JARG Young Investigator Forum, an in-training initiative aimed to expand opportunities for young investigators. The JARG Young Investigator Forum has three primary goals: first, to increase opportunities for trainees and young investigators to contribute as researchers and writers. Trainees will be invited to publish mini-reviews based on their area of research interest/expertise and will have the opportunity to indicate "in-training" when submitting manuscripts as first author Educational research pertaining to reproductive medicine training will be added to the purview of the journal. Second, the Young Investigator Forum will increase opportunities for trainees to serve as journal reviewers and will provide mentorship throughout the peer review process. Third, trainees will have the unique opportunity to gain editorial experience by serving as a "guest editor" of the Young Investigator Forum, overseeing all editorial aspects of their assigned particular issue. Through authorship, peer review, and editorial experience, we seek to nurture the academic skills that are critical to a well-rounded career. The JARG Young Investigator Forum aims to foster career development for a generation of trainees who represent the future of reproductive medicine, and here, we outline the primary goals and objectives of the initiative.

Tuning Proton Conductivity by Interstitial Guest Change in Size-Adjustable Nanopores of a CuI -MOF: A Potential Platform for Versatile Proton Carriers.

PubMed

Khatua, Sajal; Kumar Bar, Arun; Konar, Sanjit

2016-11-02

By exploiting the breathing behavior of nanopores, we have studied for the first time the dependency of the guest-induced proton conductivity of an interpenetrated Cu I metal-organic framework (Cu I -MOF, [1]) on various guest molecules. Proton conductivities of over 10 -3  S cm -1 under humid conditions were induced by a series of guest molecules, namely N,N-dimethylformamide, dimethyl sulfoxide, diethylamine, 1,4-dinitrobenzene, nitrobenzene, pyridine, and 1H-1,2,4-triazole. A detailed investigation of the guest-incorporated complexes revealed that low-energy proton conduction occurs under humid conditions through the Grotthuss mechanism in [1⊃NB] and through the vehicle mechanism in the rest of the complexes. Single-point energy computations revealed considerable stabilization upon guest encapsulation. To the best of our knowledge, [1] represents the first example in which considerably high protonic conductivity is triggered upon the facile incorporation of small molecules of such a variety. The investigation portrayed herein may be a stepping stone towards the rational design of proton-conducting materials for practical applications. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bottom-up Formation of Carbon-Based Structures with Multilevel Hierarchy from MOF-Guest Polyhedra.

PubMed

Wang, Tiesheng; Kim, Hyun-Kyung; Liu, Yingjun; Li, Weiwei; Griffiths, James T; Wu, Yue; Laha, Sourav; Fong, Kara D; Podjaski, Filip; Yun, Chao; Kumar, R Vasant; Lotsch, Bettina V; Cheetham, Anthony K; Smoukov, Stoyan K

2018-05-16

Three-dimensional carbon-based structures have proven useful for tailoring material properties in structural mechanical and energy storage applications. One approach to obtain them has been by carbonization of selected metal-organic frameworks (MOFs) with catalytic metals, but this is not applicable to most common MOF structures. Here, we present a strategy to transform common MOFs, by guest inclusions and high-temperature MOF-guest interactions, into complex carbon-based, diatom-like, hierarchical structures (named for the morphological similarities with the naturally existing diatomaceous species). As an example, we introduce metal salt guests into HKUST-1-type MOFs to generate a family of carbon-based nano-diatoms with two to four levels of structural hierarchy. We report control of the morphology by simple changes in the chemistry of the MOF and guest, with implications for the formation mechanisms. We demonstrate that one of these structures has unique advantages as a fast-charging lithium-ion battery anode. The tunability of composition should enable further studies of reaction mechanisms and result in the growth of a myriad of unprecedented carbon-based structures from the enormous variety of currently available MOF-guest candidates.

Calculating binding free energies of host-guest systems using the AMOEBA polarizable force field.

PubMed

Bell, David R; Qi, Rui; Jing, Zhifeng; Xiang, Jin Yu; Mejias, Christopher; Schnieders, Michael J; Ponder, Jay W; Ren, Pengyu

2016-11-09

Molecular recognition is of paramount interest in many applications. Here we investigate a series of host-guest systems previously used in the SAMPL4 blind challenge by using molecular simulations and the AMOEBA polarizable force field. The free energy results computed by Bennett's acceptance ratio (BAR) method using the AMOEBA polarizable force field ranked favorably among the entries submitted to the SAMPL4 host-guest competition [Muddana, et al., J. Comput.-Aided Mol. Des., 2014, 28, 305-317]. In this work we conduct an in-depth analysis of the AMOEBA force field host-guest binding thermodynamics by using both BAR and the orthogonal space random walk (OSRW) methods. The binding entropy-enthalpy contributions are analyzed for each host-guest system. For systems of inordinate binding entropy-enthalpy values, we further examine the hydrogen bonding patterns and configurational entropy contribution. The binding mechanism of this series of host-guest systems varies from ligand to ligand, driven by enthalpy and/or entropy changes. Convergence of BAR and OSRW binding free energy methods is discussed. Ultimately, this work illustrates the value of molecular modelling and advanced force fields for the exploration and interpretation of binding thermodynamics.

Special feature on imaging systems and techniques

NASA Astrophysics Data System (ADS)

Yang, Wuqiang; Giakos, George

2013-07-01

The IEEE International Conference on Imaging Systems and Techniques (IST'2012) was held in Manchester, UK, on 16-17 July 2012. The participants came from 26 countries or regions: Austria, Brazil, Canada, China, Denmark, France, Germany, Greece, India, Iran, Iraq, Italy, Japan, Korea, Latvia, Malaysia, Norway, Poland, Portugal, Sweden, Switzerland, Taiwan, Tunisia, UAE, UK and USA. The technical program of the conference consisted of a series of scientific and technical sessions, exploring physical principles, engineering and applications of new imaging systems and techniques, as reflected by the diversity of the submitted papers. Following a rigorous review process, a total of 123 papers were accepted, and they were organized into 30 oral presentation sessions and a poster session. In addition, six invited keynotes were arranged. The conference not only provided the participants with a unique opportunity to exchange ideas and disseminate research outcomes but also paved a way to establish global collaboration. Following the IST'2012, a total of 55 papers, which were technically extended substantially from their versions in the conference proceeding, were submitted as regular papers to this special feature of Measurement Science and Technology . Following a rigorous reviewing process, 25 papers have been finally accepted for publication in this special feature and they are organized into three categories: (1) industrial tomography, (2) imaging systems and techniques and (3) image processing. These papers not only present the latest developments in the field of imaging systems and techniques but also offer potential solutions to existing problems. We hope that this special feature provides a good reference for researchers who are active in the field and will serve as a catalyst to trigger further research. It has been our great pleasure to be the guest editors of this special feature. We would like to thank the authors for their contributions, without which it would not be possible to have this special feature published. We are grateful to all reviewers, who devoted their time and effort, on a voluntary basis, to ensure that all submissions were reviewed rigorously and fairly. The publishing staff of Measurement Science and Technology are particularly acknowledged for giving us timely advice on guest-editing this special feature.

Hotel smoking policies and their implementation: a survey of California hotel managers.

PubMed

Zakarian, Joy M; Quintana, Penelope J E; Winston, Carl H; Matt, Georg E

2017-01-01

Most states in the U.S. permit hotels to allow smoking in some guest rooms, and only five (Indiana, Michigan, North Dakota, Vermont, and Wisconsin) require that all hotel and motel rooms be 100% smoke-free (State and local 100% smokefree hotel and motel guest room laws enacted as of July 3, 2017). Little is known, however, about how hotels' smoking policies have been implemented. This study examined hotels' smoking policies and their implementation. A telephone survey of a random sample of 383 California hotel managers was conducted. Overall, 60.6% of hotels reported that smoking was prohibited in all guest rooms, and 4.7% reported that smoking was prohibited everywhere on their property. While California law permitted smoking in up to 65% of guest rooms, only 6.9% of rooms were reported as smoking-permitted. Over 90% of hotels had smoking rooms scattered among nonsmoking rooms, and about half of the smoking hotels reported that guests requesting either smoking or nonsmoking rooms were sometimes assigned to the other room type. When guests smoked in nonsmoking rooms fees could be substantial, but were often uncollected. Hotel smoking policies and their implementation fall short of protecting nonsmoking guests and workers from exposure to secondhand and thirdhand smoke. Complete indoor smoking bans for all hotels are needed to close existing loopholes. Nonsmokers who wish to protect themselves from exposure to tobacco smoke should avoid hotels that permit smoking and instead stay in completely smoke-free hotels.

Guest Controlled Nonmonotonic Deep Cavity Cavitand Assembly State Switching.

PubMed

Tang, Du; Barnett, J Wesley; Gibb, Bruce C; Ashbaugh, Henry S

2017-11-30

Octa-acid (OA) and tetra-endo-methyl octa-acid (TEMOA) are water-soluble, deep-cavity cavitands with nanometer-sized nonpolar pockets that readily bind complementary guests, such as n-alkanes. Experimentally, OA exhibits a progression of 1:1 to 2:2 to 2:1 host/guest complexes (X:Y where X is the number of hosts and Y is the number of guests) with increasing alkane chain length from methane to tetradecane. Differing from OA only by the addition of four methyl groups ringing the portal of the pocket, TEMOA exhibits a nonmonotonic progression of assembly states from 1:1 to 2:2 to 1:1 to 2:1 with increasing guest length. Here we present a systematic molecular simulation study to parse the molecular and thermodynamic determinants that distinguish the succession of assembly stoichiometries observed for these similar hosts. Potentials of mean force between hosts and guests, determined via umbrella sampling, are used to characterize association free energies. These free energies are subsequently used in a reaction network model to predict the equilibrium distributions of assemblies. Our models accurately reproduce the experimentally observed trends, showing that TEMOA's endo-methyl units constrict the opening of the binding pocket, limiting the conformations available to bound guests and disrupting the balance between monomeric complexes and dimeric capsules. The success of our simulations demonstrate their utility at interpreting the impact of even simple chemical modifications on supramolecular assembly and highlight their potential to aid bottom-up design.

Force and Stress along Simulated Dissociation Pathways of Cucurbituril-Guest Systems.

PubMed

Velez-Vega, Camilo; Gilson, Michael K

2012-03-13

The field of host-guest chemistry provides computationally tractable yet informative model systems for biomolecular recognition. We applied molecular dynamics simulations to study the forces and mechanical stresses associated with forced dissociation of aqueous cucurbituril-guest complexes with high binding affinities. First, the unbinding transitions were modeled with constant velocity pulling (steered dynamics) and a soft spring constant, to model atomic force microscopy (AFM) experiments. The computed length-force profiles yield rupture forces in good agreement with available measurements. We also used steered dynamics with high spring constants to generate paths characterized by a tight control over the specified pulling distance; these paths were then equilibrated via umbrella sampling simulations and used to compute time-averaged mechanical stresses along the dissociation pathways. The stress calculations proved to be informative regarding the key interactions determining the length-force profiles and rupture forces. In particular, the unbinding transition of one complex is found to be a stepwise process, which is initially dominated by electrostatic interactions between the guest's ammoniums and the host's carbonyl groups, and subsequently limited by the extraction of the guest's bulky bicyclooctane moiety; the latter step requires some bond stretching at the cucurbituril's extraction portal. Conversely, the dissociation of a second complex with a more slender guest is mainly driven by successive electrostatic interactions between the different guest's ammoniums and the host's carbonyl groups. The calculations also provide information on the origins of thermodynamic irreversibilities in these forced dissociation processes.

Conflicts of interest of editors of medical journals

PubMed Central

Minhajuddin, Abu

2018-01-01

Background Almost all medical journals now require authors to publicly disclose conflicts of interests (COI). The same standard and scrutiny is rarely employed for the editors of the journals although COI may affect editorial decisions. Methods We conducted a retrospective observational study to determine the prevalence and magnitude of financial relationships among editors of 60 influential US medical journals (10 each for internal medicine and five subspecialties: cardiology, gastroenterology, neurology, dermatology and allergy & immunology). Open Payments database was reviewed to determine the percentage of physician editors receiving payments and the nature and amount of these payments. Findings 703 unique physician editors were included in our analysis. 320/703 (46%) received 8659 general payments totaling $8,120,562. The median number of payments per editor was 9 (IQR 3–26) and the median amount per payment was $91 (IQR $21–441). The median total payment received by each editor in one year was $4,364 (IQR $319–23,143). 152 (48%) editors received payments more than $5,000 in a year, a threshold considered significant by the National Institutes of Health. COI policies for editors were available for 34/60 (57%) journals but only 7/34 (21%) publicly reported the disclosures and only 2 (3.%) reported the dollar amount received. Interpretation A significant number of editors of internal medicine and subspecialty medical journals have financial COI and very few are publicly disclosed. Specialty journal editors have more COI compared to general medicine journal editors. Current policies for disclosing COI for editors are inconsistent and do not comply with the recommended standards. PMID:29775468

New Editors Appointed for Sections of Journal of Geophysical Research

NASA Astrophysics Data System (ADS)

2009-04-01

New editors have been appointed for the Atmospheres, Biogeosciences, and Oceans sections of the Journal of Geophysical Research (JGR). Joost de Gouw (NOAA, Boulder, Colo.) and Renyi Zhang (Texas A&M, College Station) are filling the vacancies of retiring Atmospheres section editors John Austin and Jose Fuentes. De Gouw and Zhang join the continuing editors Steven Ghan and Yinon Rudich. Sara Pryor (Indiana University, Bloomington) is joining the Atmospheres section editorial board as an associate editor now; she will transition to editor in January 2010.

Energetics of small molecule and water complexation in hydrophobic calixarene cavities.

PubMed

Notestein, Justin M; Katz, Alexander; Iglesia, Enrique

2006-04-25

Calixarenes grafted on silica are energetically uniform hosts that bind aromatic guests with 1:1 stoichiometry, as shown by binding energies that depend upon the calixarene upper rim composition but not on their grafted surface density (0.02-0.23 nm(-2)). These materials are unique in maintaining a hydrophilic silica surface, as probed by H2O physisorption measurements, while possessing a high density of hydrophobic binding sites that are orthogonal to the silica surface below them. The covalently enforced cone-shaped cavities and complete accessibility of these rigidly grafted calixarenes allow the first unambiguous measurements of the thermodynamics of guest interaction with the same calixarene cavities in aqueous solution and vapor phase. Similar to adsorption into nonpolar protein cavities, adsorption into these hydrophobic cavities from aqueous solution is enthalpy-driven, which is in contrast to entropy-driven adsorption into water-soluble hydrophobic hosts such as beta cyclodextrin. The adsorption thermodynamics of several substituted aromatics from vapor and liquid are compared by (i) describing guest chemical potentials relative to pure guest, which removes differences among guests because of aqueous solvation and van der Waals contacts in the pure condensed phase, and (ii) passivating residual guest binding sites on exposed silica, titrated by water during adsorption from aqueous solution, using inorganic salts before vapor adsorption. Adsorption isotherms depend only upon the saturation vapor pressure of each guest, indicating that guest binding from aqueous or vapor media is controlled by van der Waals contacts with hydrophobic calixarene cavities acting as covalently assembled condensation nuclei, without apparent contributions from CH-pi or other directional interactions. These data also provide the first direct quantification of free energies for interactions of water with the calixarene cavity interior. The calixarene-water interface is stabilized by approximately 20 kJ/mol relative to the water-vapor interface, indicating that water significantly competes with the aromatic guests for adsorption at these ostensibly hydrophobic cavities. This result is useful for understanding models of water interactions with other concave hydrophobic surfaces, including those commonly observed within proteins.

Effects of multiple pathways on excited-state energy flow in self-assembled wheel-and-spoke light-harvesting architectures.

PubMed

Song, Hee-eun; Kirmaier, Christine; Schwartz, Jennifer K; Hindin, Eve; Yu, Lianhe; Bocian, David F; Lindsey, Jonathan S; Holten, Dewey

2006-10-05

Static and time-resolved optical measurements are reported for three cyclic hexameric porphyrin arrays and their self-assembled complexes with guest chromophores. The hexameric hosts contain zinc porphyrins and 0, 1, or 2 free base (Fb) porphyrins (denoted Zn(6), Zn(5)Fb, or Zn(4)Fb(2), respectively). The guest is a core-modified (O replacing one of the four N atoms) dipyridyl-substituted Fb porphyrin (DPFbO) that coordinates to zinc porphyrins of a host via pyridyl-zinc dative bonding. Each architecture is designed to have a gradient of excited-state energies for excitation funneling among the weakly coupled constituents of the host to the guest. Energy transfer to the lowest-energy chromophore(s) (coordinated zinc porphyrins or Fb porphyrins) within a hexameric host occurs primarily via a through-bond (TB) mechanism, is rapid ( approximately 40 ps), and is essentially quantitative (>or=98%). Energy transfer from a pyridyl-coordinated zinc porphyrin of the host to the guest in the Zn(6)*DPFbO complex has a yield of approximately 75%, a rate constant of approximately (0.7 ns)(-1), and significant Förster through-space (TS) character. In the case of Zn(5)Fb*DPFbO, which has an additional TS route via the Fb porphyrin with a rate constant of approximately (20 ns)(-1), the yield of energy transfer to the guest is somewhat lower ( approximately 50%) than that for Zn(6)*DPFbO. Complex Zn(4)Fb(2)*DPFbO has an identical TS pathway via the Fb porphyrin plus an additional TS pathway involving the second Fb porphyrin (closer to the guest) with a rate constant of approximately (0.5 ns)(-1). This complex exhibits an energy-transfer yield to the guest that is significantly enhanced over that for Zn(5)Fb*DPFbO and comparable to that for Zn(6)*DPFbO. Collectively, the results for the various arrays suggest designs for similar host-guest complexes that are expected to exhibit much more efficient light harvesting and excitation trapping at the central guest chromophore.

Journal Editors Celebrated at Editors' Evening

NASA Astrophysics Data System (ADS)

Panning, Jeanette

2014-02-01

At the Fall Meeting, the premiere social event for AGU's many journal editors is the annual Editors' Evening, an opportunity for members to celebrate and to recognize the efforts of retiring editors. At the event, AGU president Carol Finn welcomed all those in attendance and thanked them for volunteering their time for the benefit of AGU and the wider research community.

Examining Editor-Author Ethics: Real-World Scenarios from Interviews with Three Journal Editors

ERIC Educational Resources Information Center

Amare, Nicole; Manning, Alan

2009-01-01

Those who submit manuscripts to academic journals may benefit from a better understanding of how editors weigh ethics in their interactions with authors. In an attempt to ascertain and to understand editors' ethics, we interviewed 3 current academic journal editors of technical and/or business communication journals. We asked them about the…

EDITORIAL: Breeding new science by coupling photons with `nano'

NASA Astrophysics Data System (ADS)

Zheludev, Nikolay; Stockman, Mark; Zayats, Anatoly

2006-04-01

The new field of `nanophotonics' is concerned with the generation, transport, routing and detection of light in sub-wavelength structures. There is nothing new in the desire to use small structures to control waves that are much bigger than the structures, and the science of acoustics has been dealing with this problem since the early days of musical instruments. What makes nanophotonics so special is that it claims for optics the unexplored playfield of dimensions between those of objects the human eye can see with a lens, and those of the invisible elementary building blocks of the material world, molecules and atoms. Nanophotonics is a synthetic discipline that breaks into the fields of electrodynamics, solid state physics and laser physics. In growing from these disciplines it takes ideas from them, for instance from solid state physics by drawing analogies between electrons in crystals and photons in nanostructures, and from laser physics and traditional nonlinear optics by achieving strong fields not through an increase in optical power, but through its concentration. From an engineering perspective, nanophotonics promises to develop optical functionality on the smallest possible size scale (thus allowing for ultra-high-density integration), at the lowest possible energy level (thus allowing for single photon all-optical devices), and on the shortest possible timescale (thus allowing for optical devices operating within a single period of an optical wave). In this special issue we are, however, concerned with the fundamental aspects of nanophotonics, i.e. the physics that underpins these new, mind-boggling nanophotonic applications. This special issue opens with 4 articles derived from lectures at the Summer School Photonic Metamaterials: from Micro to Nanoscale, Erice, Italy, 1 7 August 2005. These reviews establish the hierarchy of nanophotonic structures and relevant length scales, explore wave interactions in nanostructured media, and examine nanophotonic functionalities underpinned by electronic excitations and structural transformations in nanoparticles. The main body of this special issue is a highly representative cross-section of research in the discipline, with papers covering essential issues in plasmonics, nanoparticle photonics, optical properties of nanostructured surfaces, atom manipulation on nanostructures, nonlinear interactions and Raman scattering from nanostructures, enhanced transmission through nano-perforated films, linear and nonlinear effects of planar chirality, energy transfer on the nanoscale, subwavelength spatial imaging, control of spontaneous emission and lasing in nanostructures and micro-resonators, nanophotonic sensors, nanostructured meta-materials, and novel nano-fabrication techniques. As the Guest Editors of this special issue, we are deeply grateful to all contributing authors for their efforts and their willingness to share recent results within the framework of what promises to be a treasured collection of papers in the field of nanophotonics. We are particularly proud that the authorship includes both pioneers and newcomers to this intriguing and fertile field of research. The Guest Editors would like to acknowledge the collaboration and support of Diederik Wiersma and Concita Sibilia, the directors of the Summer School Photonic Metamaterials: from Micro to Nanoscale, Erice, Italy, 1 7 August 2005, which provided review papers for this special issue. We are also grateful to the PHOREMOST, METAMORPHOSE and Plasmo-nano-devices European Networks of Excellence for promoting the idea of this special issue.

Nanoparticles functionalized with supramolecular host-guest systems for nanomedicine and healthcare.

PubMed

Wu, Zilong; Song, Nan; Menz, Ryan; Pingali, Bharadwaj; Yang, Ying-Wei; Zheng, Yuebing

2015-05-01

Synthetic macrocyclic host compounds can interact with suitable guest molecules via noncovalent interactions to form functional supramolecular systems. With the synergistic integration of the response of molecules and the unique properties at the nanoscale, nanoparticles functionalized with the host-guest supramolecular systems have shown great potentials for a broad range of applications in the fields of nanoscience and nanotechnology. In this review article, we focus on the applications of the nanoparticles functionalized with supramolecular host-guest systems in nanomedicine and healthcare, including therapeutic delivery, imaging, sensing and removal of harmful substances. A large number of examples are included to elucidate the working mechanisms, advantages, limitations and future developments of the nanoparticle-supramolecule systems in these applications.

Ancient Guest Stars as harbingers of neutron star formation

NASA Astrophysics Data System (ADS)

Wang, Zhen-Ru

The well-known AD 1006, 1054, 1572, and 1604 were described as "Guest Stars" by Chinese, Japanese and Korean. In most cases, it might thus be possible to expect a Guest Star to be a term for supernova or nova. There are a lot of records concerning ancient Guest Stars in Chinese historical books. Two catalogues were compiled by Xi (1955) and Xi and Bo (1965, 1966) that listed 90 probable novae or supernovae observed between 1400 BC and AD 1700. Clark and Stephenson (1977), Ho (1962) and Kanda (1935) collected more or less similar records. Among all the historical records more than 80% are from China. The discussion presented in this paper is based on them.

MS Wisoff and Linenger perform Lioh changeout

NASA Image and Video Library

1997-01-12

STS081-E-5007 (12 Jan. 1997) --- Astronauts Peter J. K. (Jeff) Wisoff (left) and Jerry M. Linenger begin early housekeeping by putting in fresh lithium hydroxide canisters beneath the Space Shuttle Atlantis' middeck. Not far away in Atlantis' cargo bay, the two mission specialists and their four crew mates are flying the Spacehab Double Module (DM), replete with supplies for the three-man crew aboard Russia's Mir Space Station with which Atlantis will be docking later in the week. Linenger will trade places with John E. Blaha, marking the second such exchange of American astronaut - cosmonaut guest researcher's aboard Mir. Blaha had replaced Shannon W. Lucid in September of 1996. The scene was recorded with an Electronic Still Camera (ESC) and later downlinked to flight controllers in Houston, Texas.

A Room with a Viewpoint Revisited: Descriptive Norms and Hotel Guests' Towel Reuse Behavior

PubMed Central

Bohner, Gerd; Schlüter, Lena E.

2014-01-01

Field experiments on descriptive norms as a means to increase hotel guests' towel reuse [1] were replicated and extended. In two hotels in Germany (Study 1: N = 724; Study 2: N = 204), descriptive norm messages suggesting that 75% of guests had reused their towels, or a standard message appealing to environmental concerns, were placed in guests' bathrooms. Descriptive norm messages varied in terms of proximity of the reference group (“hotel guests” vs. “guests in this room”) and temporal proximity (currently vs. two years previous). Reuse of towels was unobtrusively recorded. Results showed that reuse rates were high overall and that both standard and descriptive norm messages increased reuse rates compared to a no-message baseline. However, descriptive norm messages were not more effective than the standard message, and effects of proximity were inconsistent across studies. Discussion addresses cultural and conceptual issues in comparing the present findings with previous ones. PMID:25084348

Microimaging of transient guest profiles to monitor mass transfer in nanoporous materials

NASA Astrophysics Data System (ADS)

Kärger, Jörg; Binder, Tomas; Chmelik, Christian; Hibbe, Florian; Krautscheid, Harald; Krishna, Rajamani; Weitkamp, Jens

2014-04-01

The intense interactions of guest molecules with the pore walls of nanoporous materials is the subject of continued fundamental research. Stimulated by their thermal energy, the guest molecules in these materials are subject to a continuous, irregular motion, referred to as diffusion. Diffusion, which is omnipresent in nature, influences the efficacy of nanoporous materials in reaction and separation processes. The recently introduced techniques of microimaging by interference and infrared microscopy provide us with a wealth of information on diffusion, hitherto inaccessible from commonly used techniques. Examples include the determination of surface barriers and the sticking coefficient's analogue, namely the probability that, on colliding with the particle surface, a molecule may continue its diffusion path into the interior. Microimaging is further seen to open new vistas in multicomponent guest diffusion (including the detection of a reversal in the preferred diffusion pathways), in guest-induced phase transitions in nanoporous materials and in matching the results of diffusion studies under equilibrium and non-equilibrium conditions.

An organic dye-polymer (phenol red-poly (vinyl alcohol)) composite architecture towards tunable -optical and -saturable absorption characteristics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sreedhar, Sreeja, E-mail: sreejasreedhar83@gmail.com; Muneera, C. I., E-mail: drcimuneera@hotmail.com; Illyaskutty, Navas

2016-05-21

Herein, we demonstrate that blending an organic dye (guest/filler), with a vinyl polymer (host template), is an inexpensive and simple approach for the fabrication of multifunctional photonic materials which could display an enhancement in the desirable properties of the constituent materials and, at the same time provide novel synergistic properties for the guest-host system. A new guest-host nanocomposite system comprising Phenol Red dye and poly (vinyl alcohol) as guest and host template, respectively, which exhibits tunable optical characteristics and saturable absorption behavior, is introduced. The dependence of local electronic environment provided by the polymer template and the interactions of themore » polymer molecules with the encapsulated guest molecules on the observed optical/nonlinear absorption behavior is discussed. An understanding of the tunability of the optical/ photophysical processes, with respect to the filler content, as discussed herein could help in the design of improved optical materials for several photonic device applications like organic light emitting diodes and saturable absorbers.« less

PREFACE: Quark Matter 2011 (QM11) Quark Matter 2011 (QM11)

NASA Astrophysics Data System (ADS)

Schutz, Yves; Wiedemann, Urs Achim

2011-12-01

Since the early 1980s, the Quark Matter conferences have been the most important forum for presenting results in the field of high-energy heavy-ion collisions. The 22nd conference in this series took place in Annecy, France, on 22-29 May 2011, and it attracted a record attendance of almost 800 participants. More than 500 requests to give presentations were received and, based on the recommendations of the International Advisory Committee, almost 200 were selected. This special issue of Journal of Physics G: Nuclear and Particle Physics contains the written reports of those oral presentations. Quark Matter 2011 was scheduled to take place six months after the start of the heavy ion program at the Large Hadron Collider (LHC). Hence, these proceedings mark a historical milestone: two decades after starting to prepare for the LHC, the present volume documents the first substantial harvest of LHC heavy-ion data. In addition, these proceedings feature a complete overview of recent theoretical and experimental developments over two orders of magnitude in the center-of-mass energy of heavy-ion collisions. In particular, they include prominently the latest results from the heavy-ion experiments at Brookhaven's Relativistic Heavy Ion Collider and a broad range of theoretical highlights. Early in the organization of Quark Matter 2011, it was recognized that the novelty of the results expected at this conference argues for a very rapid publication of the proceedings. We would like to thank all who helped meet the ambitious production schedule. In particular, we would like to thank the paper committees of the LHC experiments ATLAS, ALICE and CMS, and the RHIC experiments PHENIX and STAR who ensured, in a coordinated action, that all experimental contributions were received within four weeks of the end of the conference. We would also like to thank the many individual contributors, as well as the anonymous referees appointed by Journal of Physics G: Nuclear and Particle Physics, who respected the tight deadline. Last but not least, we would like to thank the staff of the journal, and in particular Suzie Prescott and Rachel Lawless: they handled an enormous number of communications and requests flawlessly and swiftly. Yves Schutz and Urs Achim Wiedemann Organizers of Quark Matter 2011 Guest Editors

Identification of Guest-Host Inclusion Complexes in the Gas Phase by Electrospray Ionization-Mass Spectrometry

ERIC Educational Resources Information Center

Mendes, De´bora C.; Ramamurthy, Vaidhyanathan; Da Silva, Jose´ P.

2015-01-01

In this laboratory experiment, students follow a step-by-step procedure to prepare and study guest-host complexes in the gas phase using electrospray ionization-mass spectrometry (ESI-MS). Model systems are the complexes of hosts cucurbit[7]uril (CB7) and cucurbit[8]uril (CB8) with the guest 4-styrylpyridine (SP). Aqueous solutions of CB7 or CB8…

COFS 1 Guest Investigator Program

NASA Technical Reports Server (NTRS)

Fontana, Anthony; Wright, Robert L.

1986-01-01

The process for selecting guest investigators for participation in the Control of Flexible Structures (COFS)-1 program is described. Contracts and grants will be awarded in late CY87. A straw-man list of types of experiments and a distribution of the experiments has been defined to initiate definition of an experiments package which supports development and validation of control structures interaction technology. A schedule of guest investigator participation has been developed.

Making Math Real: Effective Qualities of Guest Speaker Presentations and the Impact of Speakers on Student Attitude and Achievement in the Algebra Classroom

ERIC Educational Resources Information Center

McKain, Danielle R.

2012-01-01

The term real world is often used in mathematics education, yet the definition of real-world problems and how to incorporate them in the classroom remains ambiguous. One way real-world connections can be made is through guest speakers. Guest speakers can offer different perspectives and share knowledge about various subject areas, yet the impact…

Host-guest chemistry of dendrimer-drug complexes: 7. Formation of stable inclusions between acetylated dendrimers and drugs bearing multiple charges.

PubMed

Fang, Min; Zhang, Jiahai; Wu, Qinglin; Xu, Tongwen; Cheng, Yiyun

2012-03-15

Drug molecules bearing multiple charges usually form precipitates with cationic dendrimers, which presents a challenge during the preparation of dendrimer inclusions for these drugs. In the present study, fully acetylated polyamidoamine (PAMAM) dendrimers were proposed as stable vehicles for drug molecules bearing two negative charges such as Congo red and indocyanine green. NMR techniques including (1)H NMR and (1)H-(1)H NOESY were used to characterize the host-guest chemistry of acetylated dendrimer and these guest molecules. The cationic PAMAM dendrimer was found to form a precipitate with Congo red and indocyanine green, but the acetylated one avoided the formation of cross-linking structures in aqueous solutions. NOESY studies revealed the encapsulation of Congo red and indocyanine green within the interior cavities of PAMAM dendrimers at mild acidic conditions and acetylated dendrimers show much stronger ability to encapsulate the guest molecules than cationic ones. Also, UV-vis-NIR studies suggest that acetylated dendrimers significantly improve the photostability of indocyanine green and prevent the formation of indocyanine green J-aggregates in aqueous solutions. The present study provides a new insight into dendrimer-based host-guest systems, especially for those guest molecules bearing multiple charges. © 2012 American Chemical Society

Multiscale and Multifunctional Emulsions by Host–Guest Interaction-Mediated Self-Assembly

PubMed Central

2018-01-01

Emulsions are widely used in numerous fields. Therefore, there has been increasing interest in the development of new emulsification strategies toward emulsions with advanced functions. Herein we report the formation of diverse emulsions by host–guest interaction-mediated interfacial self-assembly under mild conditions. In this strategy, a hydrophilic diblock copolymer with one block containing β-cyclodextrin (β-CD) can assemble at the oil/water interface when its aqueous solution is mixed with an oil phase of benzyl alcohol (BA), by host–guest interactions between β-CD and BA. This results in significantly reduced interfacial tension and the formation of switchable emulsions with easily tunable droplet sizes. Furthermore, nanoemulsions with excellent stability are successfully prepared simply via vortexing. The self-assembled oil-in-water emulsions also show catastrophic phase inversion, which can generate stable bicontinuous phase and water-in-oil emulsions, thereby further extending phase structures that can be realized by this host–guest self-assembly approach. Moreover, the host–guest nanoemulsions are able to engineer different nanoparticles and microstructures as well as solubilize a diverse array of hydrophobic drugs and dramatically enhance their oral bioavailability. The host–guest self-assembly emulsification is facile, energetically friendly, and fully translatable to industry, therefore representing a conceptually creative approach toward advanced emulsions. PMID:29806006

No evidence of transmission from an acute case of hepatitis A in a foodhandler: follow-up of almost 1,000 potentially exposed individuals, London, United Kingdom, April 2012.

PubMed

Hall, V; Abrahams, A; Turbitt, D; Cathcart, S; Maguire, H; Balasegaram, S

2014-07-31

Identification of acute hepatitis A virus (HAV) infection in a foodhandler in a London hotel led to a large incident response. We identified three potentially exposed groups: hotel staff who had regularly consumed food prepared by the case and shared toilet facilities with the case, patients who shared the same hospital ward as the case and hotel guests who consumed food prepared by the case. We arranged post-exposure HAV vaccination for all 83 potentially exposed hotel staff and all 17 patients. We emailed 887 guests advising them to seek medical care if symptomatic, but did not advise vaccination as it was too late to be effective for most guests. Through the International Health Regulations national focal points and the European Union Early warning and response system (EWRS), we communicated the details of the incident to public health agencies and potential risk of HAV transmission to international guests. Potentially exposed hotel staff and guests were asked to complete an online or telephone-administered questionnaire 50 days following possible exposure, to identify any secondary cases. Survey response was low, with 155 responses from guests and 33 from hotel staff. We identified no secondary cases of HAV infection through follow-up.

Effects of guest feeding programs on captive giraffe behavior.

PubMed

Orban, David A; Siegford, Janice M; Snider, Richard J

2016-01-01

Zoological institutions develop human-animal interaction opportunities for visitors to advance missions of conservation, education, and recreation; however, the animal welfare implications largely have yet to be evaluated. This behavioral study was the first to quantify impacts of guest feeding programs on captive giraffe behavior and welfare, by documenting giraffe time budgets that included both normal and stereotypic behaviors. Thirty giraffes from nine zoos (six zoos with varying guest feeding programs and three without) were observed using both instantaneous scan sampling and continuous behavioral sampling techniques. All data were collected during summer 2012 and analyzed using linear mixed models. The degree of individual giraffe participation in guest feeding programs was positively associated with increased time spent idle and marginally associated with reduced time spent ruminating. Time spent participating in guest feeding programs had no effect on performance of stereotypic behaviors. When time spent eating routine diets was combined with time spent participating in guest feeding programs, individuals that spent more time engaged in total feeding behaviors tended to perform less oral stereotypic behavior such as object-licking and tongue-rolling. By extending foraging time and complexity, guest feeding programs have the potential to act as environmental enrichment and alleviate unfulfilled foraging motivations that may underlie oral stereotypic behaviors observed in many captive giraffes. However, management strategies may need to be adjusted to mitigate idleness and other program consequences. Further studies, especially pre-and-post-program implementation comparisons, are needed to better understand the influence of human-animal interactions on zoo animal behavior and welfare. © 2016 Wiley Periodicals, Inc.

Molecular structures of the inclusion complexes beta-cyclodextrin-1,2-bis(4-aminophenyl)ethane and beta-cyclodextrin-4,4'-diaminobiphenyl; packing of dimeric beta-cyclodextrin inclusion complexes.

PubMed

Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M

2003-04-01

The present investigation is part of an ongoing study on the influence of the long end-functonalized guest molecules DBA and BNZ in the crystal packing of beta-cyclodextrin (betaCD) dimeric complexes. The title compounds are 2:2 host:guest complexes showing limited host-guest hydrogen bonding at the primary faces of the betaCD dimers. Within the betaCD cavity the guests exhibit mutual pi...pi interactions and between betaCD dimers perpendicular NH...pi interactions. The DBA guest molecule exhibits one extended and two bent conformations in the complex. The BNZ guest molecule is not planar inside betaCD, in contrast to the structure of BNZ itself, which indicates that the cavity isolates the molecules and forbids the pi...pi stacking of the aromatic rings. NMR spectroscopy studies show that in aqueous solution both DBA and BNZ form strong complexes that have 1:1 stoichiometry and structures similar to the solid state ones. The relative packing of the dimers is the same in both complexes. The axes of two adjacent dimers form an angle close to 20 degrees and have a lateral displacement approximately 2.45 A, both of which characterize the screw-channel mode of packing. Although the betaCD/BNZ complex indeed crystallizes in a space group characterizing the latter mode, the betaCD/DBA complex crystallizes in a space group with novel dimensions not resembling any of the packing modes reported so far. The new lattice is attributed to the three conformations exhibited by the guest in the crystals. However, this lattice can be transformed into another, which is isostructural to that of the betaCD/BNZ inclusion complex, if the conformation of the guest is not taken into account.

A structural model of polyglutamine determined from a host-guest method combining experiments and landscape theory.

PubMed

Finke, John M; Cheung, Margaret S; Onuchic, José N

2004-09-01

Modeling the structure of natively disordered peptides has proved difficult due to the lack of structural information on these peptides. In this work, we use a novel application of the host-guest method, combining folding theory with experiments, to model the structure of natively disordered polyglutamine peptides. Initially, a minimalist molecular model (C(alpha)C(beta)) of CI2 is developed with a structurally based potential and captures many of the folding properties of CI2 determined from experiments. Next, polyglutamine "guest" inserts of increasing length are introduced into the CI2 "host" model and the polyglutamine is modeled to match the resultant change in CI2 thermodynamic stability between simulations and experiments. The polyglutamine model that best mimics the experimental changes in CI2 thermodynamic stability has 1), a beta-strand dihedral preference and 2), an attractive energy between polyglutamine atoms 0.75-times the attractive energy between the CI2 host Go-contacts. When free-energy differences in the CI2 host-guest system are correctly modeled at varying lengths of polyglutamine guest inserts, the kinetic folding rates and structural perturbation of these CI2 insert mutants are also correctly captured in simulations without any additional parameter adjustment. In agreement with experiments, the residues showing structural perturbation are located in the immediate vicinity of the loop insert. The simulated polyglutamine loop insert predominantly adopts extended random coil conformations, a structural model consistent with low resolution experimental methods. The agreement between simulation and experimental CI2 folding rates, CI2 structural perturbation, and polyglutamine insert structure show that this host-guest method can select a physically realistic model for inserted polyglutamine. If other amyloid peptides can be inserted into stable protein hosts and the stabilities of these host-guest mutants determined, this novel host-guest method may prove useful to determine structural preferences of these intractable but biologically relevant protein fragments.

Supramolecular chemistry at interfaces: host-guest interactions for fabricating multifunctional biointerfaces.

PubMed

Yang, Hui; Yuan, Bin; Zhang, Xi; Scherman, Oren A

2014-07-15

CONSPECTUS: Host-guest chemistry can greatly improve the selectivity of biomolecule-ligand binding on account of recognition-directed interactions. In addition, functional structures and the actuation of supramolecular assemblies in molecular systems can be controlled efficiently through various host-guest chemistry. Together, these highly selective, strong yet dynamic interactions can be exploited as an alternative methodology for applications in the field of programmable and controllable engineering of supramolecular soft materials through the reversible binding between complementary components. Many processes in living systems such as biotransformation, transportation of matter, and energy transduction begin with interfacial molecular recognition, which is greatly influenced by various external stimuli at biointerfaces. Detailed investigations about the molecular recognition at interfaces can result in a better understanding of life science, and further guide us in developing new biomaterials and medicines. In order to mimic complicated molecular-recognition systems observed in nature that adapt to changes in their environment, combining host-guest chemistry and surface science is critical for fabricating the next generation of multifunctional biointerfaces with efficient stimuli-responsiveness and good biocompatibility. In this Account, we will summarize some recent progress on multifunctional stimuli-responsive biointerfaces and biosurfaces fabricated by cyclodextrin- or cucurbituril-based host-guest chemistry and highlight their potential applications including drug delivery, bioelectrocatalysis, and reversible adsorption and resistance of peptides, proteins, and cells. In addition, these biointerfaces and biosurfaces demonstrate efficient response toward various external stimuli, such as UV light, pH, redox chemistry, and competitive guests. All of these external stimuli can aid in mimicking the biological stimuli evident in complex biological environments. We begin by reviewing the current state of stimuli-responsive supramolecular assemblies formed by host-guest interactions, discussing how to transfer host-guest chemistry from solution onto surfaces required for fabricating multifunctional biosurfaces and biointerfaces. Then, we present different stimuli-responsive biosurfaces and biointerfaces, which have been prepared through a combination of cyclodextrin- or cucurbituril-based host-guest chemistry and various surface technologies such as self-assembled monolayers or layer-by-layer assembly. Moreover, we discuss the applications of these biointerfaces and biosurfaces in the fields of drug release, reversible adsorption and release of some organic molecules, peptides, proteins, and cells, and photoswitchable bioelectrocatalysis. In addition, we summarize the merits and current limitations of these methods for fabricating multifunctional stimuli-responsive biointerfaces in a dynamic noncovalent manner. Finally, we present possible strategies for future designs of stimuli-responsive multifunctional biointerfaces and biosurfaces by combining host-guest chemistry with surface science, which will lead to further critical development of supramolecular chemistry at interfaces.

Rotaxane and catenane host structures for sensing charged guest species.

PubMed

Langton, Matthew J; Beer, Paul D

2014-07-15

CONSPECTUS: The promise of mechanically interlocked architectures, such as rotaxanes and catenanes, as prototypical molecular switches and shuttles for nanotechnological applications, has stimulated an ever increasing interest in their synthesis and function. The elaborate host cavities of interlocked structures, however, can also offer a novel approach toward molecular recognition: this Account describes the use of rotaxane and catenane host systems for binding charged guest species, and for providing sensing capability through an integrated optical or electrochemical reporter group. Particular attention is drawn to the exploitation of the unusual dynamic properties of interlocked molecules, such as guest-induced shuttling or conformational switching, as a sophisticated means of achieving a selective and functional sensor response. We initially survey interlocked host systems capable of sensing cationic guests, before focusing on our accomplishments in synthesizing rotaxanes and catenanes designed for the more challenging task of selective anion sensing. In our group, we have developed the use of discrete anionic templation to prepare mechanically interlocked structures for anion recognition applications. Removal of the anion template reveals an interlocked host system, possessing a unique three-dimensional geometrically restrained binding cavity formed between the interlocked components, which exhibits impressive selectivity toward complementary anionic guest species. By incorporating reporter groups within such systems, we have developed both electrochemical and optical anion sensors which can achieve highly selective sensing of anionic guests. Transition metals, lanthanides, and organic fluorophores integrated within the mechanically bonded structural framework of the receptor are perturbed by the binding of the guest, with a concomitant change in the emission profile. We have also exploited the unique dynamics of interlocked hosts by demonstrating that an anion-induced conformational change can be used as a means of signal transduction. Electrochemical sensing has been realized by integration of the redox-active ferrocene functionality within a range of rotaxane and catenanes; binding of an anion perturbs the metallocene, leading to a cathodic shift in the ferrocene/ferrocenium redox couple. In order to obtain practical sensors for target charged guest species, confinement of receptors at a surface is necessary in order to develop robust, reuseable devices. Surface confinement also offers advantages over solution based receptors, including amplification of signal, enhanced guest binding thermodynamics and the negation of solubility problems. We have fabricated anion-templated rotaxanes and catenanes on gold electrode surfaces and demonstrated that the resulting mechanically bonded self-assembled monolayers are electrochemically responsive to the binding of anions, a crucial first step toward the advancement of sophisticated, highly selective, anion sensory devices. Rotaxane and catenane host molecules may be engineered to offer a superior level of molecular recognition, and the incorporation of optical or electrochemical reporter groups within these interlocked frameworks can allow for guest sensing. Advances in synthetic templation strategies has facilitated the synthesis of interlocked architectures and widened their interest as prototype molecular machines. However, their unique host-guest properties are only now beginning to be exploited as a sophisticated approach to chemical sensing. The development of functional host-guest sensory systems such as these is of great interest to the interdisciplinary field of supramolecular chemistry.

Preparation and characterization of multi stimuli-responsive photoluminescent nanocomposites of graphene quantum dots with hyperbranched polyethylenimine derivatives

NASA Astrophysics Data System (ADS)

Liu, Xing; Liu, Hua-Ji; Cheng, Fa; Chen, Yu

2014-06-01

Oxidized graphene sheets (OGS) were treated with a hyperbranched polyethylenimine (PEI) under hydrothermal conditions to generate nanocomposites of graphene quantum dots (GQDs) functionalized with PEI (GQD-PEIs). The influence of the reaction temperature and the PEI/OGS feed ratio on the photoluminescence properties of the GQD-PEIs was studied. The obtained GQD-PEIs were characterized by TEM, dynamic light scattering, elemental analysis, FTIR, zeta potential measurements and 1H NMR spectroscopy, from which their structural information was inferred. Subsequently, isobutyric amide (IBAm) groups were attached to the GQD-PEIs through the amidation reaction of isobutyric anhydride with the PEI moieties, which resulted in GQD-PEI-IBAm nanocomposites. GQD-PEI-IBAm was not only thermoresponsive, but also responded to other stimuli, including inorganic salts, pH, and loaded organic guests. The cloud point temperature (Tcp) of aqueous solutions of GQD-PEI-IBAm could be modulated through changing the number of IBAm units in GQD-PEI-IBAm, by varying the type and concentration of the inorganic salts and loaded organic guests, or by varying the pH. All the obtained GQD-PEI-IBAm nanocomposites were photoluminescent, and their maximum emission wavelengths were not influenced by outside stimuli. Their emission intensities were influenced a little or negligibly by pH, traditional salting-out anions (Cl- and SO42-), and the relatively polar aspirin guest. However, the traditional salting-in I- anion and the more hydrophobic 1-pyrenebutyric acid (PBA) guest could effectively quench their fluorescence. 2D NOESY 1H NMR spectra verified that GQD-PEI-IBAm accommodated the relatively polar aspirin guest using the PEI-IBAm shell, but adsorbed the relatively hydrophobic PBA guest through the nanographene core. The release rate of the guest encapsulated by the thermoresponsive GQD is different below and above Tcp.Oxidized graphene sheets (OGS) were treated with a hyperbranched polyethylenimine (PEI) under hydrothermal conditions to generate nanocomposites of graphene quantum dots (GQDs) functionalized with PEI (GQD-PEIs). The influence of the reaction temperature and the PEI/OGS feed ratio on the photoluminescence properties of the GQD-PEIs was studied. The obtained GQD-PEIs were characterized by TEM, dynamic light scattering, elemental analysis, FTIR, zeta potential measurements and 1H NMR spectroscopy, from which their structural information was inferred. Subsequently, isobutyric amide (IBAm) groups were attached to the GQD-PEIs through the amidation reaction of isobutyric anhydride with the PEI moieties, which resulted in GQD-PEI-IBAm nanocomposites. GQD-PEI-IBAm was not only thermoresponsive, but also responded to other stimuli, including inorganic salts, pH, and loaded organic guests. The cloud point temperature (Tcp) of aqueous solutions of GQD-PEI-IBAm could be modulated through changing the number of IBAm units in GQD-PEI-IBAm, by varying the type and concentration of the inorganic salts and loaded organic guests, or by varying the pH. All the obtained GQD-PEI-IBAm nanocomposites were photoluminescent, and their maximum emission wavelengths were not influenced by outside stimuli. Their emission intensities were influenced a little or negligibly by pH, traditional salting-out anions (Cl- and SO42-), and the relatively polar aspirin guest. However, the traditional salting-in I- anion and the more hydrophobic 1-pyrenebutyric acid (PBA) guest could effectively quench their fluorescence. 2D NOESY 1H NMR spectra verified that GQD-PEI-IBAm accommodated the relatively polar aspirin guest using the PEI-IBAm shell, but adsorbed the relatively hydrophobic PBA guest through the nanographene core. The release rate of the guest encapsulated by the thermoresponsive GQD is different below and above Tcp. Electronic supplementary information (ESI) available: Elemental analysis data; typical FTIR spectra; typical photographs of the GQD solution before and after phase transition; typical luminescence photographs, and typical photoluminescence spectra. See DOI: 10.1039/c4nr00739e

Unravelling the progressive role of rattlers in thermoelectric clathrate and strategies for performance improvement: Concurrently enhancing electronic transport and blocking phononic transport

NASA Astrophysics Data System (ADS)

Yang, Jia-Yue; Cheng, Long; Hu, Ming

2017-12-01

Intermetallic clathrates, one class of guest-host systems with perfectly crystalline structures, hold great potential to be the "phonon glass - electron crystal" thermoelectric materials. Previous studies focus on revealing the atomistic origins of blocked phononic transport, yet little attention is drawn to the enhanced electronic transport. In this work, we investigate the binary type-I M8Si46 (M = Sr, Ba, Tl, and Pb) clathrates and unravel how rattlers concurrently block phononic transport and enhance electronic transport from first-principles. By comparing the empty and filled clathrates, the lattice thermal conductivity is greatly reduced by a factor of 21 due to the decrease in phonon relaxation time for propagative phonons over 0-6 THz by 1.5 orders of magnitude. On the other hand, rattlers bridge charge gaps among cages by donating electrons and thus drastically increase electrical conductivity. The concurrent realization of blocked phononic transport and enhanced electronic transport boosts the figure-of-merit (ZT) of empty clathrate by 4 orders of magnitude. Furthermore, by manipulating metallic rattlers and n-type doping, the power factor is markedly improved and ZT can reach 0.55 at 800 K. These results provide a quantitative description of the guest-host interaction and coupling dynamics from first-principles. The proposed strategy of manipulating ratting atoms and in-situ doping offers important guidance to engineer clathrates with high thermoelectric performance.

Host-Guest Interaction of Cucurbit[8]uril with N-(3-Aminopropyl)cyclohexylamine: Cyclohexyl Encapsulation Triggered Ternary Complex.

PubMed

Xia, Yu; Wang, Chuan-Zeng; Tian, Mengkui; Tao, Zhu; Ni, Xin-Long; Prior, Timothy J; Redshaw, Carl

2018-01-15

The host-guest interaction of a series of cyclohexyl-appended guests with cucurbit[8]uril (Q[8]) was studied by ¹H NMR spectroscopy, isothermal titration calorimetry (ITC), and X-ray crystallography. The X-ray structure revealed that two cycloalkane moieties can be simultaneously encapsulated in the hydrophobic cavity of the Q[8] host to form a ternary complex for the first time.

Diffusion of vaporous guests into a seemingly non-porous organic crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herbert, Simon A.; Janiak, Agnieszka; Thallapally, Praveen K.

2014-10-07

In this research, the tetragonal apohost phase of p-tert-butyltetramethoxythiacalix[4]arene absorbs hydrochloric acid and iodine. These guest molecules occupy different sites in the solid-state structure -- either within the small intrinsic voids of the macrocycle or within the interstitial spaces between the host molecules. This study illustrates the dynamic deformation of the host, providing strong mechanistic insight into the diffusion of guests into this seemingly non-porous material.

Host-guest capability of a three-dimensional heterometallic macrocycle.

PubMed

Fan, Qi-Jia; Lin, Yue-Jian; Hahn, F Ekkehardt; Jin, Guo-Xin

2018-02-13

A three-dimensional heterometallic coordination macrocycle is found to be capable of encapsulating planar pyrene (G1), coronene (G4) and non-planar corannulene (G2) guest molecules in high yields, giving rise to 1 : 1 host-guest complexes. The bowl-shaped guest corannulene is found to be significantly flattened upon inclusion within the cavity. However, macrocyclic compounds with larger cavity sizes, which form 1 : 1 stoichiometry assemblies with a naphthalene bisimide planar molecule (G3), are more inclined to form infinite sandwich structures. Furthermore, these heterometallic coordination macrocycles can be destroyed in the presence of a soft base to form hexanuclear triangular prism complexes. These structures are unambiguously revealed by single-crystal X-ray analysis.

Test Plans and Procedures for the Baseline SAF for BDS-D Sites (ModSAF). Volume 2

DTIC Science & Technology

1993-12-20

operations editor will no longer editor, appear in the EditorI Area. 64 I ADST/WDL/TR-93-W003271 VOLUME 2 of 2; Ver 1.0I 44200 Repeat steps 44120 thru...The unit operations 44200 to task the orange editor will no longer platoon to Move on the appear in the Editor route labeled "ort. Area. The vehicles

Strategic Studies Quarterly. Volume 2, Number 3, Fall 2008

DTIC Science & Technology

2008-01-01

Managing Editor Betty R. Littlejohn, Editorial Assistant Jerry L. Gantt, Content Editor Sherry Terrell , Editorial Assistant Steven C. Garst...factsheet.asp?id=107 . Ibid. 9. Lt Col Sebastian M. Convertino II, CDR Lou Anne DeMattei, and Lt Col Tammy Knierim, Flying and Fighting in...PhD, Editor-in-Chief L. Tawanda Eaves, Managing Editor Betty R. Littlejohn, Editorial Assistant Jerry L. Gantt, Content Editor Sherry Terrell

The ICMJE Recommendations and pharmaceutical marketing--strengths, weaknesses and the unsolved problem of attribution in publication ethics.

PubMed

Matheson, Alastair

2016-04-04

The International Committee of Medical Journal Editors (ICMJE) Recommendations set ethical and editorial standards for article publication in most leading medical journals. Here, I examine the strengths and weaknesses of the Recommendations in the prevention of commercial bias in industry-financed journal literature, on three levels - scholarly discourse, article content, and article attribution. With respect to overall discourse, the most important measures in the ICMJE Recommendations are for enforcing clinical trial registration and controlling duplicate publication. With respect to article content, the ICMJE promotes stringent author accountability and adherence to established reporting standards. However, the ICMJE accepts the use of commercial editorial teams to produce manuscripts, which is a potential source of bias, and accepts private company ownership and analysis of clinical trial data. New ICMJE guidance on data sharing will address but not eliminate problems of commercial data access. With respect to attribution, the Recommendations oppose guest authorship and encourage clear documentation of author contributions. However, they exclude writers from coauthorship; provide no specific advice on the attribution of commercial literature, for instance with respect to company authorship, author sequence or prominent commercial labeling; and endorse the use of fine print and euphemism. The ICMJE requires detailed author interest disclosures, but overlooks the interests of non-authors and companies, and does not recommend that interests most salient to the publication are highlighted. Together, these weaknesses facilitate "advocacy"-based marketing, in which literature planned, financed and produced by companies is fronted by academics, enabling commercial messages to be presented to customers by their respected clinical peers rather than companies themselves. The ICMJE Recommendations set important research and reporting standards, without which commercial bias would likely be a significantly greater problem than it is today. However, they also support practices of commercial data control, content development and attribution that run counter to science's values of openness, objectivity and truthfulness. These weaknesses could be addressed with appropriate modifications to the Recommendations. The ICMJE should also disclose its own commercial interests and funding - not least because publishing organizations that finance it and pay the salaries of some member editors derive substantial revenues from industry.

Especially for High School Teachers

NASA Astrophysics Data System (ADS)

Howell, J. Emory

1999-12-01

Chemistry and the Environment This issue contains more than 20 articles relating to the environment. Several articles of potential interest are indicated in the Table of Contents with the SSC mark (). Others are not so indicated because they depict use of expensive instrumentation or costly procedures, but if you have an interest in environmental chemistry you may wish to examine all the environmentally related articles. While many of the articles, both marked and unmarked, are targeted to college-level environmental chemistry curricula or to introductory courses for non-major, the methods described in several could be readily adapted to high school chemistry courses. One article likely to be of interest to teachers is found in News from Online, pp 1608-1609. The author explains how to use the U.S. Environment Protection Agency's EnviroMapper Web site to view and query environmental information. She mentioned finding a hazardous waste handler located near her home, so I decided to check the area near my home. I quickly located a natural gas salt dome storage facility marked on the map and, with a few more mouse clicks, I found information that included status of compliance with regulations, amounts of each compound released to the air in tons per year, and how to contact the corporation owning the site. Email and Web site addresses were included for the convenience of anyone wishing to contact the corporation. Students could learn a great deal about where they live that is relevant to chemistry by using the EPA site. Additional Web sites dealing with environmental issues and chemistry are cited in the sidebar at the bottom of p 1609. Among the articles that could be adapted to an advanced high school chemistry class or possibly even to an introductory class is one titled Bridge of Mandolin County (pp 1671-1672). It describes a case-study strategy similar to the scenarios used in ChemStudy. Students analyze information from various sources, including laboratory experiments if desired, discuss their findings, and make a recommendation regarding which of two road deicers should be used on the bridge. The article Pesticides in Drinking Water: Project-Based Learning within the Introductory Chemistry Curriculum (pp 1673-1667) describes class involvement in field data collection and analysis. Since more sophisticated instrumentation than is possessed by many schools is required, 6th grade science and high school chemistry classes work with a college class to obtain and analyze data. Everyone involved in this approach wins. The 6th graders, high school students, and college students all gain experience in sampling, preparing samples for analysis, determining pollutant levels, and drawing conclusions, each at an appropriate level of understanding. Plus, the high school students are exposed to instrumentation that otherwise would not be accessible, such as gas chromatography coupled with mass spectrometry (GC-MS). Although the project described was started by the college faculty members who wrote the article, such an approach to many interesting environmental chemistry problems could be initiated by a high school teacher by seeking out a nearby college or university with whom to partner. An article that probably would not have received the SSC mark had I not noticed that two of the coauthors are high school students, is titled Remediation of Water Contaminated with an Azo Dye (pp 1680-1683). In addition to being interesting, the article is a good reminder that research opportunities for high school students exist. Still another article that received the SSC mark because of a high school connection is Chemical Analysis of Soils (pp 1693-1694). The authors mention that with modification their techniques could be used in high school chemistry. They cite a reference to an article published several years ago, titled Soil Analysis for High School Chemistry Students (J. Chem. Educ. 1980, 57, 897-899). It was published in a feature titled the 50-Minute Experiment. Block scheduling has brought an end to the 50-minute period in many classrooms, but the experiment is valid and potentially useful in providing experience with real-world samples. Write Now! With the coming of December days are shorter and nights are longer, and for many readers in the United States and Canada winter weather has set in. If you have been thinking about writing an article for JCE perhaps now is a good time to be doing it. I would like to call your attention to four feature columns designed especially for high school teachers: Chemical Principles Revisited Cary Kilner, Editor Exeter High School, 7 Salmon Street, Newmarket, NH 03857 Phone: 603/659-6825; Fax: 603/772-8287; email: CaryPQ@aol.com Interdisciplinary Connections Mark Alber, Editor Darlington School, 1014 Cave Spring Road, Rome, GA 30161 Phone: 706/236-0442; Fax: 706/236-0443; email: malber@darlington.rome.ga.us Second Year and Advanced Placement Chemistry John Fischer, Editor Ashwaubenon High School, 2391 Ridge Road, Green Bay, WI 54304 Phone: 414/492-2955 ext 2020; email: fischer@netnet.net View from My Classroom David Byrum, Editor Flowing Wells High School, 3301 E. Ft. Lowell Rd., Tucson, AZ 85716 Phone: 520/795-2928; email: DavidB1032@aol.com The titles are descriptive of the content sought for each feature, whose mission statement can be found at the JCE Web site, jchemed.chem.wisc.edu. Click on "Features" in the left-hand frame on your screen. All these editors will be happy to discuss your ideas for an article. Secondary School Feature Articles JCE Classroom Activity #22: Colors to Dye for: Preparation of Natural Dyes, p 1688A Applications of Biocatalysis to Industrial Processes, by John T. Sime, p 1658

3D nitrogen-doped graphene/β-cyclodextrin: host-guest interactions for electrochemical sensing

NASA Astrophysics Data System (ADS)

Liu, Jilun; Leng, Xuanye; Xiao, Yao; Hu, Chengguo; Fu, Lei

2015-07-01

Host-guest interactions, especially those between cyclodextrins (CDs, including α-, β- and γ-CD) and various guest molecules, exhibit a very high supramolecular recognition ability. Thus, they have received considerable attention in different fields. These specific interactions between host and guest molecules are promising for biosensing and clinical detection. However, there is a lack of an ideal electrode substrate for CDs to increase their performance in electrochemical sensing. Herein, we propose a new 3D nitrogen-doped graphene (3D-NG) based electrochemical sensor, taking advantage of the superior sensitivity of host-guest interactions. Our 3D-NG was fabricated by a template-directed chemical vapour deposition (CVD) method, and it showed a large specific surface area, a high capacity for biomolecules and a high electron transfer efficiency. Thus, for the first time, we took 3D-NG as an electrode substrate for β-CD to establish a new type of biosensor. Using dopamine (DA) and acetaminophen (APAP) as representative guest molecules, our 3D-NG/β-CD biosensor shows extremely high sensitivities (5468.6 μA mM-1 cm-2 and 2419.2 μA mM-1 cm-2, respectively), which are significantly higher than those reported in most previous studies. The stable adsorption of β-CD on 3D-NG indicates potential applications in clinical detection and medical testing.Host-guest interactions, especially those between cyclodextrins (CDs, including α-, β- and γ-CD) and various guest molecules, exhibit a very high supramolecular recognition ability. Thus, they have received considerable attention in different fields. These specific interactions between host and guest molecules are promising for biosensing and clinical detection. However, there is a lack of an ideal electrode substrate for CDs to increase their performance in electrochemical sensing. Herein, we propose a new 3D nitrogen-doped graphene (3D-NG) based electrochemical sensor, taking advantage of the superior sensitivity of host-guest interactions. Our 3D-NG was fabricated by a template-directed chemical vapour deposition (CVD) method, and it showed a large specific surface area, a high capacity for biomolecules and a high electron transfer efficiency. Thus, for the first time, we took 3D-NG as an electrode substrate for β-CD to establish a new type of biosensor. Using dopamine (DA) and acetaminophen (APAP) as representative guest molecules, our 3D-NG/β-CD biosensor shows extremely high sensitivities (5468.6 μA mM-1 cm-2 and 2419.2 μA mM-1 cm-2, respectively), which are significantly higher than those reported in most previous studies. The stable adsorption of β-CD on 3D-NG indicates potential applications in clinical detection and medical testing. Electronic supplementary information (ESI) available: The procedure for preparing the sensor, wide survey XPS, XRD patterns, the effect of scan rate, more CV data on the stability and selectivity, and a comparison with previous studies. See DOI: 10.1039/c5nr03109e

Why Gene Editors Like CRISPR/Cas May Be a Game-Changer for Neuroweapons

PubMed Central

Giordano, James

2017-01-01

This year marks the Eighth Review Conference (RevCon) of the Biological Toxins and Weapons Convention (BWC). At the same time, ongoing international efforts to further and more deeply investigate the brain's complex neuronal circuitry are creating unprecedented capabilities to both understand and control neurological processes of thought, emotion, and behavior. These advances have tremendous promise for human health, but the potential for their misuse has also been noted, with most discussions centering on research and development of agents that are addressed by existing BWC and Chemical Weapons Convention (CWC) proscriptions. In this article, we discuss the dual-use possibilities fostered by employing emergent biotechnologic techniques and tools—specifically, novel gene editors like clustered regular interspaced short palindromic repeats (CRISPR)—to produce neuroweapons. Based on our analyses, we posit the strong likelihood that development of genetically modified or created neurotropic substances will advance apace with other gene-based therapeutics, and we assert that this represents a novel—and realizable—path to creating potential neuroweapons. In light of this, we propose that it will be important to re-address current categorizations of weaponizable tools and substances, so as to better inform and generate tractable policy to enable improved surveillance and governance of novel neuroweapons. PMID:28574731

Editorial independence at medical journals owned by professional associations: a survey of editors.

PubMed

Davis, Ronald M; Müllner, Marcus

2002-10-01

The purpose of this study was to assess the degree of editorial independence at a sample of medical journals and the relationship between the journals and their owners. We surveyed the editors of 33 medical journals owned by not-for-profit organizations ("associations"), including 10 journals represented on the International Committee of Medical Journal Editors (nine of which are general medical journals) and a random sample of 23 specialist journals with high impact factors that are indexed by the Institute for Scientific Information. The main outcome measures were the authority to hire, fire, and oversee the work of the editor; the editor's tenure and financial compensation; control of the journal's budget; publication of material about the association; and the editor's perceptions about editorial independence and pressure over editorial content. Of the 33 editors, 23 (70%) reported having complete editorial freedom, and the remainder reported a high level of freedom (a score of > or = 8, where 10 equals complete editorial freedom and 1 equals no editorial freedom). Nevertheless, a substantial minority of editors reported having received at least some pressure in recent years over editorial content from the association's leadership (42%), senior staff (30%), or rank-and-file members (39%). The association's board of directors has the authority to hire (48%) or fire (55%) the editor for about half of the journals, and the editor reports to the board for 10 journals (30%). Twenty-three editors (70%) are appointed for a specific term (median term = 5 years). Three-fifths of the journals have no control over their profit, and the majority of journals use the association's legal counsel and/or media relations staff. Stronger safeguards are needed to give editors protection against pressure over editorial content, including written guarantees of editorial freedom and governance structures that support those guarantees. Strong safeguards are also needed because editors may have less freedom than they believe (especially if they have not yet tested their freedom in an area of controversy).

Reflections on 35 years with Applied Optics: outgoing editorial.

PubMed

Mait, Joseph N

2014-10-20

Applied Optics' Editor-in-Chief, Joseph N. Mait reflects on his experience as a reader, author, reviewer and eventual editor of the journal. Dr. Mait also introduces the incoming Editor-in-Chief, Ronald G. Driggers and acknowledges outgoing Division Editor, T.-C. Poon.

Combined analysis of 1,3-benzodioxoles by crystalline sponge X-ray crystallography and laser desorption ionization mass spectrometry.

PubMed

Hayashi, Yukako; Ohara, Kazuaki; Taki, Rika; Saeki, Tomomi; Yamaguchi, Kentaro

2018-03-12

The crystalline sponge (CS) method, which employs single-crystal X-ray diffraction to determine the structure of an analyte present as a liquid or an oil and having a low melting point, was used in combination with laser desorption ionization mass spectrometry (LDI-MS). 1,3-Benzodioxole derivatives were encapsulated in CS and their structures were determined by combining X-ray crystallography and MS. After the X-ray analysis, the CS was subjected to imaging mass spectrometry (IMS) with an LDI spiral-time-of-flight mass spectrometer (TOF-MS). The ion detection area matched the microscopic image of the encapsulated CS. In addition, the accumulated 1D mass spectra showed that fragmentation of the guest molecule (hereafter, guest) can be easily visualized without any interference from the fragment ions of CS except for two strong ion peaks derived from the tridentate ligand TPT (2,4,6-tris(4-pyridyl)-1,3,5-triazine) of the CS and its fragment. X-ray analysis clearly showed the presence of the guest as well as the π-π, CH-halogen, and CH-O interactions between the guest and the CS framework. However, some guests remained randomly diffused in the nanopores of CS. In addition, the detection limit was less than sub-pmol order based on the weight and density of CS determined by X-ray analysis. Spectroscopic data, such as UV-vis and NMR, also supported the encapsulation of the guest through the interaction between the guest and CS components. The results denote that the CS-LDI-MS method, which combines CS, X-ray analysis and LDI-MS, is effective for structure determination.

Switch-peptides: design and characterization of controllable super-amyloid-forming host-guest peptides as tools for identifying anti-amyloid agents.

PubMed

Camus, Marie-Stéphanie; Dos Santos, Sonia; Chandravarkar, Arunan; Mandal, Bhubaneswar; Schmid, Adrian W; Tuchscherer, Gabriele; Mutter, Manfred; Lashuel, Hilal A

2008-09-01

Several amyloid-forming proteins are characterized by the presence of hydrophobic and highly amyloidogenic core sequences that play critical roles in the initiation and progression of amyloid fibril formation. Therefore targeting these sequences represents a viable strategy for identifying candidate molecules that could interfere with amyloid formation and toxicity of the parent proteins. However, the highly amyloidogenic and insoluble nature of these sequences has hampered efforts to develop high-throughput fibrillization assays. Here we describe the design and characterization of host-guest switch peptides that can be used for in vitro mechanistic and screening studies that are aimed at discovering aggregation inhibitors that target highly amyloidogenic sequences. These model systems are based on a host-guest system where the amyloidogenic sequence (guest peptide) is flanked by two beta-sheet-promoting (Leu-Ser)(n) oligomers as host sequences. Two host-guest peptides were prepared by using the hydrophobic core of Abeta comprising residues 14-24 (HQKLVFFAEDV) as the guest peptide with switch elements inserted within (peptide 1) or at the N and C termini of the guest peptide (peptide 2). Both model peptides can be triggered to undergo rapid self-assembly and amyloid formation in a highly controllable manner and their fibrillization kinetics is tuneable by manipulating solution conditions (for example, peptide concentration and pH). The fibrillization of both peptides reproduces many features of the full-length Abeta peptides and can be inhibited by known inhibitors of Abeta fibril formation. Our results suggest that this approach can be extended to other amyloid proteins and should facilitate the discovery of small-molecule aggregation inhibitors and the development of more efficacious anti-amyloid agents to treat and/or reverse the pathogenesis of neurodegenerative and systemic amyloid diseases.

Increasing Sun Protection in Winter Outdoor Recreation

PubMed Central

Walkosz, Barbara J.; Buller, David B.; Andersen, Peter A.; Scott, Michael D.; Dignan, Mark B.; Cutter, Gary R.; Maloy, Julie A.

2009-01-01

Background Unprotected and excessive exposure to ultraviolet radiation (UVR) is the primary risk factor for skin cancer. Design A pair-matched, group-randomized, pre-test/post-test, quasi-experimental design, with ski resorts as the unit of randomization, tested the effectiveness of Go Sun Smart, a multi-channel skin cancer prevention program. Independent samples of guests were taken at baseline (2001) and follow-up (2002); data were analyzed in 2006. Setting and Participants A total of 6516 adult guests at 26 ski resorts in the western U.S. and Canada were recruited, consented, and interviewed on chairlifts. This study was nested within an occupational intervention for ski resort workers. Intervention Ski resorts were pair-matched and randomized to receive Go Sun Smart, which consisted of print, electronic, visual, and interpersonal skin cancer prevention messages. Main Outcome Measures Sun-protection behaviors, sunburning, recall of sun-protection messages, and the association of message exposure to sun protection. Results The difference in recall of all sun-protection messages, messages on signs and posters, and the Go Sun Smart logo was significant between the intervention and control resorts. Reported use of sun-protection practices was higher by guests at intervention ski areas using more (a higher dose of) Go Sun Smart materials. Intervention-group guests who recalled a sun-safety message were more likely to practice sun safety than intervention-group guests who did not recall a message and control-group guests. Conclusions While the mere implementation of Go Sun Smart did not produce sun-safety improvements, Go Sun Smart appeared to be effective for guests who encountered and remembered it. Many factors can work against message exposure. Signage seemed to produce the greatest increase in exposure to sun-safety messages. PMID:18471586

Learning from a dive show in an aquarium setting

NASA Astrophysics Data System (ADS)

Walsh, Lori M.

A study was conducted at an aquarium next to a theme park to understand information recalled from two versions of shows viewed at the largest display. The goal of this research was to determine if learning was enhanced by having a diver in water as the treatment group. This project focused on the knowledge recalled about shark and ray feeding adaptations, the information recalled about the mentioned conservation message about sustainable seafood and the potential of the two shows to make memorable experiences. During the project, 30 adult participants from each group were given a survey with five open-ended questions. Results suggest that the diver might distract from biological content information, or that the diver is such a novel element that it interferes with recall. While guests seemed to recall information about rays and sharks, the amount of information was not substantial. It appears that the diver does not affect content messaging but does impact whether guests attend to Seafood Watch messaging. The diver may have been so novel that the treatment group could not attend to the conservation message that was delivered, regardless of topic, or the control group recalled the message because the guests were not distracted by the diver or feeding. The absence of a diver seems to allow the guests to better attend to what is happening outside of the tank. While adding a diver increases photo opportunities and may bring guests to a show, the results seem to indicate that it does not significantly increase recall. The results of this study show that guests in a theme park setting can recall information from an educational program. Guests may not enter this hybrid aquarium with the intention of learning, but recall, one of the components in learning, does occur.

The SAMPL4 host-guest blind prediction challenge: an overview.

PubMed

Muddana, Hari S; Fenley, Andrew T; Mobley, David L; Gilson, Michael K

2014-04-01

Prospective validation of methods for computing binding affinities can help assess their predictive power and thus set reasonable expectations for their performance in drug design applications. Supramolecular host-guest systems are excellent model systems for testing such affinity prediction methods, because their small size and limited conformational flexibility, relative to proteins, allows higher throughput and better numerical convergence. The SAMPL4 prediction challenge therefore included a series of host-guest systems, based on two hosts, cucurbit[7]uril and octa-acid. Binding affinities in aqueous solution were measured experimentally for a total of 23 guest molecules. Participants submitted 35 sets of computational predictions for these host-guest systems, based on methods ranging from simple docking, to extensive free energy simulations, to quantum mechanical calculations. Over half of the predictions provided better correlations with experiment than two simple null models, but most methods underperformed the null models in terms of root mean squared error and linear regression slope. Interestingly, the overall performance across all SAMPL4 submissions was similar to that for the prior SAMPL3 host-guest challenge, although the experimentalists took steps to simplify the current challenge. While some methods performed fairly consistently across both hosts, no single approach emerged as consistent top performer, and the nonsystematic nature of the various submissions made it impossible to draw definitive conclusions regarding the best choices of energy models or sampling algorithms. Salt effects emerged as an issue in the calculation of absolute binding affinities of cucurbit[7]uril-guest systems, but were not expected to affect the relative affinities significantly. Useful directions for future rounds of the challenge might involve encouraging participants to carry out some calculations that replicate each others' studies, and to systematically explore parameter options.

Preparing for a Guest Clinician's Rehearsal with Your Choir: Inviting a Guest Director to Work with Your Choir Can Bring Fresh Perspectives and Reinforce Basic Concepts

ERIC Educational Resources Information Center

Lanier, Brian

2007-01-01

As choral directors across the country work to prepare their choirs for concerts, festivals, and contests, it is a common practice for them to invite a guest clinician to attend rehearsals for guidance and assistance. The rationale for this idea is logical and simple--two heads are better than one. However, the actual visit can be anything from a…

β-Cyclodextrin's orientation onto TiO2 and its paradoxical role in guest's photodegradation.

PubMed

Zhang, Xu; Yang, Zixin; Li, Xuankun; Deng, Nansheng; Qian, Shahua

2013-01-28

This work revealed that β-cyclodextrin was attached onto the surface of TiO(2) predominately by its secondary ring side, which caused paradoxical functions of β-cyclodextrin in the photodegradation of the four bisphenols. The equilibrium between the guest adsorbed through β-cyclodextrin onto TiO(2) and the one locked in β-CD in water could also change the role of β-cyclodextrin in the degradation of a certain guest.

Heterogeneous VM Replication: A New Approach to Intrusion Detection, Active Response and Recovery in Cloud Data Centers

DTIC Science & Technology

2015-08-17

from the same execution history, and cost-effective active response by proactively setting up standby VM replicas: migration from a compromised VM...the guest OSes system call code to be reused inside a “shadowed” portion of the context of the out-of- guest inspection program. Besides...by the rootkits in cloud environments. RootkitDet detects rootkits by identifying suspicious code region in the kernel space of guest OSes through

Neutral Guest Capture via Lewis Acid/Base Molecular Square Receptors. X-ray Crystal Structure of {Cyclobis[(cis-(dppp)Pt(4-ethynylpyridyl)(2))(cis- (PEt(3))(2)Pt)]Ag(2)}(+6)(phenazine)- ((-)OSO(2)CF(3))(6).

PubMed

Whiteford, Jeffery A.; Stang, Peter J.; Huang, Songping D.

1998-10-19

Interaction of {cyclobis[(cis-(dppp)Pt(4-ethynylpyridyl)(2))(cis-(L)M)]Ag(2)}(+6)((-)OSO(2)CF(3))(6), where M = Pt(II) or Pd(II) and L = dppp or 2PEt(3), with pyridine, pyrazine, phenazine, or 4,4'-dipyridyl ketone results in coordination Lewis acid/base host-guest assemblies via the "pi-tweezer effect" and mono or bis neutral guest coordination. All host-guest complexes are air stable microcrystalline solids with decomposition points greater than 170 degrees C. The homometallic Pt(II) receptors are more stable than the heteroaromatic Pt(II)-Pd(II) receptors toward heteratom-containing aromatic guests. The X-ray crystal structure of the host-guest complex {cyclobis[(cis-(dppp)Pt(4-ethynylpyridyl)(2))(cis-(PEt(3))(2)Pt)]Ag(2)}(+6)(phenazine)((-)OSO(2)CF(3))(6) is reported. The crystals with the empirical formula C(62)H(68)AgF(9)N(3)O(9)P(4)Pt(2)S(3) are triclinic P&onemacr; with a = 12.3919(8) Å, b = 17.160(1) Å, c = 18.932(1) Å, alpha = 90.892(1) degrees, beta = 97.127(1) degrees, gamma = 89.969(1) degrees, and Z = 2.

Guest Programmable Multistep Spin Crossover in a Porous 2-D Hofmann-Type Material.

PubMed

Murphy, Michael J; Zenere, Katrina A; Ragon, Florence; Southon, Peter D; Kepert, Cameron J; Neville, Suzanne M

2017-01-25

The spin crossover (SCO) phenomenon defines an elegant class of switchable materials that can show cooperative transitions when long-range elastic interactions are present. Such materials can show multistepped transitions, targeted both fundamentally and for expanded data storage applications, when antagonistic interactions (i.e., competing ferro- and antiferro-elastic interactions) drive concerted lattice distortions. To this end, a new SCO framework scaffold, [Fe II (bztrz) 2 (Pd II (CN) 4 )]·n(guest) (bztrz = (E)-1-phenyl-N-(1,2,4-triazol-4-yl)methanimine, 1·n(guest)), has been prepared that supports a variety of antagonistic solid state interactions alongside a distinct dual guest pore system. In this 2-D Hofmann-type material we find that inbuilt competition between ferro- and antiferro-elastic interactions provides a SCO behavior that is intrinsically frustrated. This frustration is harnessed by guest exchange to yield a very broad array of spin transition characters in the one framework lattice (one- (1·(H 2 O,EtOH)), two- (1·3H 2 O) and three-stepped (1·∼2H 2 O) transitions and SCO-deactivation (1)). This variety of behaviors illustrates that the degree of elastic frustration can be manipulated by molecular guests, which suggests that the structural features that contribute to multistep switching may be more subtle than previously anticipated.

Tunable Two-color Luminescence and Host-guest Energy Transfer of Fluorescent Chromophores Encapsulated in Metal-Organic Frameworks

NASA Astrophysics Data System (ADS)

Yan, Dongpeng; Tang, Yanqun; Lin, Heyang; Wang, Dan

2014-03-01

Co-assembly of chromophore guests with host matrices can afford materials which have photofunctionalities different from those of individual components. Compared with clay and zeolite materials, the use of metal-organic frameworks (MOFs) as a host structure for fabricating luminescent host-guest materials is still at an early stage. Herein, we report the incorporation of a laser dye, 4-(dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4H-pyran (DCM), into stilbene-based and naphthalene-based MOF systems. The resulting materials exhibit blue/red two-color emission, and the intensity ratio of blue to red fluorescence varies in different planes within the MOF crystal as detected by 3D confocal fluorescence microscopy. The observed changes in ratiometric fluorescence suggest the occurrence of energy transfer from MOF host to DCM molecules, which can be further confirmed by periodic density functional theoretical (DFT) calculations. Moreover, selective changes in luminescence behavior are observed on treating the guest@MOF samples with volatile organic compounds (methanol, acetone and toluene), indicating that these host-guest systems have potential applications as fluorescence sensors. It can be expected that by rational selection of MOF hosts and guest chromophores with suitable emissive colors and energy levels, a wide variety of multi-color luminescent and energy-transfer systems can readily be prepared in a similar manner.

New Editors Appointed for Water Resources Research

NASA Astrophysics Data System (ADS)

2009-03-01

Praveen Kumar (University of Illinois at Urbana-Champaign), the newly appointed editor in chief of Water Resources Research (WRR), heads the new team of editors for the journal. The other editors are Tom Torgersen (University of Connecticut, Groton), who continues his editorship; Tissa Illangasekare (Colorado School of Mines, Golden); Graham Sander (Loughborough University, Loughborough, UK); and John Selker (Oregon State University, Corvallis). Hoshin Gupta (University of Arizona, Tucson) will join WRR at the end of 2009. The new editors will begin receiving submissions immediately. The incoming editorial board thanks outgoing editors Marc Parlange, Brian Berkowitz, Amilcare Porporato, and Scott Tyler, all of whom will assist during the transition.

Cucurbituril mediated single molecule detection and identification via recognition tunneling.

PubMed

Xiao, Bohuai; Liang, Feng; Liu, Simin; Im, JongOne; Li, Yunchuan; Liu, Jing; Zhang, Bintian; Zhou, Jianghao; He, Jin; Chang, Shuai

2018-06-08

Recognition tunneling (RT) is an emerging technique for investigating single molecules in a tunnel junction. We have previously demonstrated its capability of single molecule detection and identification, as well as probing the dynamics of intermolecular bonding at the single molecule level. Here by introducing cucurbituril as a new class of recognition molecule, we demonstrate a powerful platform for electronically investigating the host-guest chemistry at single molecule level. In this report, we first investigated the single molecule electrical properties of cucurbituril in a tunnel junction. Then we studied two model guest molecules, aminoferrocene and amantadine, which were encapsulated by cucurbituril. Small differences in conductance and lifetime can be recognized between the host-guest complexes with the inclusion of different guest molecules. By using a machine learning algorithm to classify the RT signals in a hyper dimensional space, the accuracy of guest molecule recognition can be significantly improved, suggesting the possibility of using cucurbituril molecule for single molecule identification. This work enables a new class of recognition molecule for RT technique and opens the door for detecting a vast variety of small molecules by electrical measurements.

Host-guest chemistry of dendrimer-drug complexes. 2. Effects of molecular properties of guests and surface functionalities of dendrimers.

PubMed

Hu, Jingjing; Cheng, Yiyun; Wu, Qinglin; Zhao, Libo; Xu, Tongwen

2009-08-06

The host-guest chemistry of dendrimer-drug complexes is investigated by NMR techniques, including (1)H NMR and 2D-NOESY studies. The effects of molecular properties of drug molecules (protonation ability and spatial steric hindrance of charged groups) and surface functionalities of dendrimers (positively charged amine groups and negatively charged carboxylate groups) on the host-guest interactions are discussed. Different interaction mechanisms between dendrimers and drug molecules are proposed on the basis of NMR results. Primary amine- and secondary amine-containing drugs preferentially bind to negatively charged dendrimers by strong electrostatic interactions, whereas tertiary amine and quaternary ammonium-containing drugs have weak binding ability with dendrimers due to relatively low protonation ability of the tertiary amine group and serious steric hindrance of the quaternary ammonium group. Positively charged drugs locate only on the surface of negatively charged dendrimers, whereas negatively charged drugs locate both on the surface and in the interior cavities of positively charged dendrimers. The host-guest chemistry of dendrimer-drug complexes is promising for the development of new drug delivery systems.

Organic Nanoflowers from a Wide Variety of Molecules Templated by a Hierarchical Supramolecular Scaffold.

PubMed

Negrón, Luis M; Díaz, Tanya L; Ortiz-Quiles, Edwin O; Dieppa-Matos, Diómedes; Madera-Soto, Bismark; Rivera, José M

2016-03-15

Nanoflowers (NFs) are flowered-shaped particles with overall sizes or features in the nanoscale. Beyond their pleasing aesthetics, NFs have found a number of applications ranging from catalysis, to sensing, to drug delivery. Compared to inorganic based NFs, their organic and hybrid counterparts are relatively underdeveloped mostly because of the lack of a reliable and versatile method for their construction. We report here a method for constructing NFs from a wide variety of biologically relevant molecules (guests), ranging from small molecules, like doxorubicin, to biomacromolecules, like various proteins and plasmid DNA. The method relies on the encapsulation of the guests within a hierarchically structured particle made from supramolecular G-quadruplexes. The size and overall flexibility of the guests dictate the broad morphological features of the resulting NFs, specifically, small and rigid guests favor the formation of NFs with spiky petals, while large and/or flexible guests promote NFs with wide petals. The results from experiments using confocal fluorescence microscopy, and scanning electron microscopy provides the basis for the proposed mechanism for the NF formation.

Testing a Theory-Based Health Communication Program: A Replication of Go Sun Smart in Outdoor Winter Recreation

PubMed Central

ANDERSEN, PETER A.; BULLER, DAVID B.; WALKOSZ, BARBARA J.; MALOY, JULIE; SCOTT, MICHAEL D.; CUTTER, GARY R.; DIGNAN, MARK B.

2010-01-01

The epidemic of preventable skin cancer in the United States creates an urgent need for health communication campaigns to improve sun protection. Go Sun Smart (GSS), a theory-driven multichannel health communication campaign showed positive effects on sun safety behaviors of employees and guests in a randomized trial at high-altitude ski areas. In this article we report findings from the North American GSS campaign for guests at ski areas that comprosed the original control-group resorts, replicating the results of the original guest intervention. Results showed that after GSS was deployed, guests at the original control group ski areas increased sun protection and reported greater recall of sun safety messages. Conversely, GSS had no effect on sunburning attitudes or self-efficacy beliefs. Like the original GSS guest intervention, the present study found that greater exposure to GSS messages was associated with greater use of sunscreen, sunscreen lip balm, and face covering, but not gloves or overall sun protection. There was no evidence that GSS decreased sunburning or attitudes and self-efficacy beliefs regarding sun safety. PMID:19466647

Self-Healing and Thermo-Responsive Dual-Crosslinked Alginate Hydrogels based on Supramolecular Inclusion Complexes

PubMed Central

Miao, Tianxin; Fenn, Spencer L.; Charron, Patrick N.; Oldinski, Rachael A.

2015-01-01

β-cyclodextrin (β-CD), with a lipophilic inner cavity and hydrophilic outer surface, interacts with a large variety of non-polar guest molecules to form non-covalent inclusion complexes. Conjugation of β-CD onto biomacromolecules can form physically-crosslinked hydrogel networks upon mixing with a guest molecule. Herein describes the development and characterization of self-healing, thermo-responsive hydrogels, based on host-guest inclusion complexes between alginate-graft-β-CD and Pluronic® F108 (poly(ethylene glycol)-b-poly(propylene glycol)-b-poly(ethylene glycol)). The mechanics, flow characteristics, and thermal response were contingent on the polymer concentrations, and the host-guest molar ratio. Transient and reversible physical crosslinking between host and guest polymers governed self-assembly, allowing flow under shear stress, and facilitating complete recovery of the material properties within a few seconds of unloading. The mechanical properties of the dual-crosslinked, multi-stimuli responsive hydrogels were tuned as high as 30 kPa at body temperature, and are advantageous for biomedical applications such as drug delivery and cell transplantation. PMID:26509214

Energy-cascade organic photovoltaic devices incorporating a host-guest architecture.

PubMed

Menke, S Matthew; Holmes, Russell J

2015-02-04

In planar heterojunction organic photovoltaic devices (OPVs), broad spectral coverage can be realized by incorporating multiple molecular absorbers in an energy-cascade architecture. Here, this approach is combined with a host-guest donor layer architecture previously shown to optimize exciton transport for the fluorescent organic semiconductor boron subphthalocyanine chloride (SubPc) when diluted in an optically transparent host. In order to maximize the absorption efficiency, energy-cascade OPVs that utilize both photoactive host and guest donor materials are examined using the pairing of SubPc and boron subnaphthalocyanine chloride (SubNc), respectively. In a planar heterojunction architecture, excitons generated on the SubPc host rapidly energy transfer to the SubNc guest, where they may migrate toward the dissociating, donor-acceptor interface. Overall, the incorporation of a photoactive host leads to a 13% enhancement in the short-circuit current density and a 20% enhancement in the power conversion efficiency relative to an optimized host-guest OPV combining SubNc with a nonabsorbing host. This work underscores the potential for further design refinements in planar heterojunction OPVs and demonstrates progress toward the effective separation of functionality between constituent OPV materials.

Giant Negative Area Compressibility Tunable in a Soft Porous Framework Material.

PubMed

Cai, Weizhao; Gładysiak, Andrzej; Anioła, Michalina; Smith, Vincent J; Barbour, Leonard J; Katrusiak, Andrzej

2015-07-29

A soft porous material [Zn(L)2(OH)2]n·Guest (where L is 4-(1H-naphtho[2,3-d]imidazol-1-yl)benzoate, and Guest is water or methanol) exhibits the strongest ever observed negative area compressibility (NAC), an extremely rare property, as at hydrostatic pressure most materials shrink in all directions and few expand in one direction. This is the first NAC reported in metal-organic frameworks (MOFs), and its magnitude, clearly visible and by far the highest of all known materials, can be reversibly tuned by exchanging guests adsorbed from hydrostatic fluids. This counterintuitive strong NAC of [Zn(L)2(OH)2]n·Guest arises from the interplay of flexible [-Zn-O(H)-]n helices with layers of [-Zn-L-]4 quadrangular puckered rings comprising large channel voids. The compression of helices and flattening of puckered rings combine to give a giant piezo-mechanical response, applicable in ultrasensitive sensors and actuators. The extrinsic NAC response to different hydrostatic fluids is due to varied host-guest interactions affecting the mechanical strain within the range permitted by exceptionally high flexibility of the framework.

Tailoring the Adsorption and Reaction Chemistry of the Metal-Organic Frameworks UiO-66, UiO-66-NH2, and HKUST-1 via the Incorporation of Molecular Guests.

PubMed

Ploskonka, Ann M; DeCoste, Jared B

2017-06-28

Metal-organic frameworks (MOFs) are versatile materials highly regarded for their porous nature. Depending on the synthetic method, various guest molecules may remain in the pores or can be systematically loaded for various reasons. Herein, we present a study that explores the effect of guest molecules on the adsorption and reactivity of the MOF in both the gas phase and solution. The differences between guest molecule interactions and the subsequent effects on their activity are described for each system. Interestingly, different effects are observed and described in detail for each class of guest molecules studied. We determine that there is a strong effect of alcohols with the secondary building unit of UiO MOFs, while Lewis bases have an effect on the reactivity of the -NH 2 group in UiO-66-NH 2 and adsorption by the coordinatively unsaturated copper sites in HKUST-1. These effects must be considered when determining synthesis and activation methods of MOFs toward various applications.

Interview with Professor Mark Wilcox.

PubMed

Wilcox, Mark

2016-08-01

Mark Wilcox speaks to Georgia Patey, Commissioning Editor: Professor Mark Wilcox is a Consultant Microbiologist and Head of Microbiology at the Leeds Teaching Hospitals (Leeds, UK), the Professor of Medical Microbiology at the University of Leeds (Leeds, UK), and is the Lead on Clostridium difficile and the Head of the UK C. difficile Reference Laboratory for Public Health England (PHE). He was the Director of Infection Prevention (4 years), Infection Control Doctor (8 years) and Clinical Director of Pathology (6 years) at the Leeds Teaching Hospitals. He is Chair of PHE's Rapid Review Panel (reviews utility of infection prevention and control products for National Health Service), Deputy Chair of the UK Department of Health's Antimicrobial Resistance and Healthcare Associated Infection Committee and a member of PHE's HCAI/AR Programme Board. He is a member of UK/European/US working groups on C. difficile infection. He has provided clinical advice as part of the FDA/EMA submissions for the approval of multiple novel antimicrobial agents. He heads a healthcare-associated infection research team at University of Leeds, comprising approximately 30 doctors, scientists and nurses; projects include multiple aspects of C. difficile infection, diagnostics, antimicrobial resistance and the clinical development of new antimicrobial agents. He has authored more than 400 publications, and is the coeditor of Antimicrobial Chemotherapy (5th/6th/7th Editions, 15 December 2007).

Redox-responsive self-healing materials formed from host–guest polymers

PubMed Central

Nakahata, Masaki; Takashima, Yoshinori; Yamaguchi, Hiroyasu; Harada, Akira

2011-01-01

Expanding the useful lifespan of materials is becoming highly desirable, and self-healing and self-repairing materials may become valuable commodities. The formation of supramolecular materials through host–guest interactions is a powerful method to create non-conventional materials. Here we report the formation of supramolecular hydrogels and their redox-responsive and self-healing properties due to host–guest interactions. We employ cyclodextrin (CD) as a host molecule because it is environmentally benign and has diverse applications. A transparent supramolecular hydrogel quickly forms upon mixing poly(acrylic acid) (pAA) possessing β-CD as a host polymer with pAA possessing ferrocene as a guest polymer. Redox stimuli induce a sol−gel phase transition in the supramolecular hydrogel and can control self-healing properties such as re-adhesion between cut surfaces. PMID:22027591

EPR Studies of the Binding Properties, Guest Dynamics, and Inner-Space Dimensions of a Water-Soluble Resorcinarene Capsule.

PubMed

Ayhan, Mehmet Menaf; Casano, Gilles; Karoui, Hakim; Rockenbauer, Antal; Monnier, Valérie; Hardy, Micaël; Tordo, Paul; Bardelang, David; Ouari, Olivier

2015-11-09

Nitroxide free radicals have been used to study the inner space of one of Rebek's water-soluble capsules. EPR and (1) H NMR spectroscopy, ESI-MS, and DFT calculations showed a preference for the formation of 1:2 complexes. EPR titrations allowed us to determine binding constants (Ka ) in the order of 10(7)  M(-2) . EPR spectral-shape analysis provided information on the guest rotational dynamics within the capsule. The interplay between optimum hydrogen bonding upon capsule formation and steric strain for guest accommodation highlights some degree of flexibility for guest inclusion, particularly at the center of the capsule where the hydrogen bond seam can be barely distorted or slightly disturbed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stimuli Responsive Systems Constructed Using Cucurbit[n]uril-Type Molecular Containers

PubMed Central

2015-01-01

Conspectus This Account focuses on stimuli responsive systems that function in aqueous solution using examples drawn from the work of the Isaacs group using cucurbit[n]uril (CB[n]) molecular containers as key recognition elements. Our entry into the area of stimuli responsive systems began with the preparation of glycoluril derived molecular clips that efficiently distinguish between self and nonself by H-bonds and π–π interactions even within complex mixtures and therefore undergo self-sorting. We concluded that the selectivity of a wide variety of H-bonded supramolecular assemblies was higher than previously appreciated and that self-sorting is not exceptional behavior. This lead us to examine self-sorting within the context of CB[n] host–guest chemistry in water. We discovered that CB[n] homologues (CB[7] and CB[8]) display remarkably high binding affinity (Ka up to 1017 M–1) and selectivity (ΔΔG) toward their guests, which renders CB[n]s prime components for the construction of stimuli responsive host–guest systems. The CB[7]·adamantaneammonium ion complex, which is particularly privileged (Ka = 4.2 × 1012 M–1), was introduced by us as a stimulus to trigger constitutional changes in multicomponent self-sorting systems. For example, we describe how the free energy associated with the formation of host–guest complexes of CB[n]-type receptors can drive conformational changes of included guests like triazene–arylene foldamers and cationic calix[4]arenes, as well as induced conformational changes (e.g., ammonium guest size dependent homotropic allostery, metal ion triggered folding, and heterochiral dimerization) of the hosts themselves. Many guests display large pKa shifts within their CB[n]–guest complexes, which we used to promote pH controlled guest swapping and thermal trans-to-cis isomerization of azobenzene derivatives. We also used the high affinity and selectivity of CB[7] toward its guests to outcompete an enzyme (bovine carbonic anhydrase) for a two-faced inhibitor, which allowed stimuli responsive regulation of enzymatic activity. These results prompted us to examine the use of CB[n]-type receptors in both in vitro and in vivo biological systems. We demonstrated that adamantaneammonium ion can be used to intracellularly sequester CB[7] from gold nanoparticles passivated with hexanediammonium ion·CB[7] complexes and thereby trigger cytotoxicity. CB[7] derivatives bearing a biotin targeting group enhance the cytotoxicity of encapsulated oxaliplatin toward L1210FR cells. Finally, acyclic CB[n]-type receptors function as solubilizing excipients for insoluble drugs for drug delivery purposes and as a broad spectrum reversal agent for the neuromuscular blocking agents rocuronium, vecuronium, and cis-atracurium in rats. The work highlights the great potential for integration of CB[n]-type receptors with biological systems. PMID:24785941

Engineering responsive polymer building blocks with host-guest molecular recognition for functional applications.

PubMed

Hu, Jinming; Liu, Shiyong

2014-07-15

CONSPECTUS: All living organisms and soft matter are intrinsically responsive and adaptive to external stimuli. Inspired by this fact, tremendous effort aiming to emulate subtle responsive features exhibited by nature has spurred the invention of a diverse range of responsive polymeric materials. Conventional stimuli-responsive polymers are constructed via covalent bonds and can undergo reversible or irreversible changes in chemical structures, physicochemical properties, or both in response to a variety of external stimuli. They have been imparted with a variety of emerging applications including drug and gene delivery, optical sensing and imaging, diagnostics and therapies, smart coatings and textiles, and tissue engineering. On the other hand, in comparison with molecular chemistry held by covalent bonds, supramolecular chemistry built on weak and reversible noncovalent interactions has emerged as a powerful and versatile strategy for materials fabrication due to its facile accessibility, extraordinary reversibility and adaptivity, and potent applications in diverse fields. Typically involving more than one type of noncovalent interactions (e.g., hydrogen bonding, metal coordination, hydrophobic association, electrostatic interactions, van der Waals forces, and π-π stacking), host-guest recognition refers to the formation of supramolecular inclusion complexes between two or more entities connected together in a highly controlled and cooperative manner. The inherently reversible and adaptive nature of host-guest molecular recognition chemistry, stemming from multiple noncovalent interactions, has opened up a new platform to construct novel types of stimuli-responsive materials. The introduction of host-guest chemistry not only enriches the realm of responsive materials but also confers them with promising new applications. Most intriguingly, the integration of responsive polymer building blocks with host-guest recognition motifs will endow the former with further broadened responsiveness to external stimuli and accordingly more sophisticated functions. In this Account, we summarize recent progress in the field of responsive polymeric materials containing host-guest recognition motifs with selected examples and highlight their versatile functional applications, whereas small molecule-oriented host-guest supramolecular systems are excluded. We demonstrate how the introduction of host-guest chemistry into conventional polymer systems can modulate their responsive modes to external stimuli. Moreover, the responsive specificity and selectivity of polymeric systems can also be inherited from the host-guest recognition motifs, and these features provide extra advantages in terms of function integration. The following discussions are categorized in terms of design and functions, namely, host-guest chemistry toward the fabrication of responsive polymers and assemblies, optical sensing and imaging, drug and gene delivery, and self-healing materials. A concluding remark on future developments is also presented. We wish this prosperous field would incur more original and evolutionary ideas and benefit fundamental research and our daily life in a more convenient way.

Use of a journal club and letter-writing exercise to teach critical appraisal to medical undergraduates.

PubMed

Edwards, R; White, M; Gray, J; Fischbacher, C

2001-07-01

There is growing interest in methods of teaching critical appraisal skills at undergraduate and postgraduate levels. We describe an approach using a journal club and subsequent letter writing to teach critical appraisal and writing skills to medical undergraduates. The exercise occurs during a 3-week public health medicine attachment in the third year of the undergraduate curriculum. Students work in small groups to appraise a recently published research paper, present their findings to their peers in a journal club, and draft a letter to the journal editor. Evaluation took place through: informal and formal feedback from students; number of letters written, submitted and published, and a comparison of marks obtained by students submitting a literature review assignment with and without critical appraisal teaching during the public health attachment. Feedback from students was overwhelmingly positive. In the first 3(1/2) years, 26 letters have been published or accepted for publication, and 58 letters published on the Internet. There were no significant differences in overall marks or marks for the critical appraisal component of the literature review assignments between the two student groups. We believe our approach is an innovative and enjoyable method for teaching critical appraisal and writing skills to medical students. Lack of difference in marks in the literature review between the student groups may reflect its insensitivity as an outcome measure, contamination by other critical appraisal teaching, or true ineffectiveness.

Towards the fluorogenic detection of peroxide explosives through host-guest chemistry.

PubMed

Almenar, Estefanía; Costero, Ana M; Gaviña, Pablo; Gil, Salvador; Parra, Margarita

2018-04-01

Two dansyl-modified β-cyclodextrin derivatives ( 1 and 2 ) have been synthesized as host-guest sensory systems for the direct fluorescent detection of the peroxide explosives diacetone diperoxide (DADP) and triacetone triperoxide (TATP) in aqueous media. The sensing is based on the displacement of the dansyl moiety from the cavity of the cyclodextrin by the peroxide guest resulting in a decrease of the intensity of the fluorescence of the dye. Both systems showed similar fluorescent responses and were more sensitive towards TATP than DADP.

Insertion of Guest Molecules into a Mixed Ligand Metal-Organic Framework via Single-Crystal-to-Single Crystal Guest Exchange

DTIC Science & Technology

2014-07-01

powder x-ray diffraction (PXRD), thermogravimentric analysis (TGA), and Fourier transform infrared (FTIR). 15. SUBJECT TERMS Metal organic frame work...the inclusion by using a variety of analytical techniques, such as powder x-ray diffraction (PXRD), thermo-gravimetric analysis (TGA), Fourier...Characterizations Analysis of the MOF and the complexes with the MOF and the guest molecules was performed using an Agilent GC-MS (Model 6890N GC and Model 5973N

FRED user's manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shilling, J.

1984-02-01

FRED, the friendly editor, is a screen-based structured editor. This manual is intended to serve the needs of a wide range of users of the FRED text editor. Most users will find it sufficient to read the introductory material in section 2, supplemented with the full command set description in section 3. Advanced users may wish to change the keystroke sequences which invoke editor commands. Section 4 describes how to change key bindings and how to define command macros. Some users may need to modify a language description or create an entirely new language description for use with FRED. Sectionmore » 5 describes the format of the language descriptions used by the editor, and describes how to construct a language grammar. Section 6 describes known portability problems of the FRED editor and should concern only system installation personnel. The editor points out syntax errors in the file being edited and does automatic pretty printing.« less

EDT mode for JED -- An advanced Unix text editor

NASA Astrophysics Data System (ADS)

McIlwrath, B. K.; Page, C. G.

This note describes Starlink extended EDT emulation for the JED editor. It provides a Unix text editor which can utilise the advanced facilities of DEC VTn00, xterm and similar terminals. JED in this mode provides a reasonably good emulation of the VAX/VMS editor EDT in addition to many extra facilities.

Becoming an Online Editor: Perceived Roles and Responsibilities of Wikipedia Editors

ERIC Educational Resources Information Center

Littlejohn, Allison; Hood, Nina

2018-01-01

Introduction: We report on the experiences of a group of people as they become Wikipedia editors. We test Benkler's (2002) theory that commons-based production processes accelerate the creation of capital, questioning what knowledge production processes do people engage in as they become editors? The analysis positions the development of editing…

Emerging Perspectives on Editorial Ethics: An Interview with Chris Higgins

ERIC Educational Resources Information Center

Jackson, Liz

2017-01-01

Chris Higgins took on the roles of Editor of "Educational Theory," and Editor-in-Chief of the "Philosophy of Education Yearbook" published by the Philosophy of Education Society, in 2013, after having been an Associate Editor and Book Review Editor for "Educational Theory" for six years. Higgins worked closely with…

KSC-2011-3332

NASA Image and Video Library

2011-05-05

CAPE CANAVERAL, Fla. -- Invited guests attending a celebration at Complex 5/6 on Cape Canaveral Air Force Station in Florida tour the blockhouse. The celebration was held at the launch site of the first U.S. manned spaceflight May 5, 1961, to mark the 50th anniversary of the flight. Fifty years ago, astronaut Alan Shepard lifted off inside the Mercury capsule, "Freedom 7," atop an 82-foot-tall Mercury-Redstone rocket at 9:34 a.m. EST, sending him on a remarkably successful, 15-minute suborbital flight. The event was attended by more than 200 workers from the original Mercury program and included a re-creation of Shepard's flight and recovery, as well as a tribute to his contributions as a moonwalker on the Apollo 14 lunar mission. For more information, visit www.nasa.gov/topics/history/milestones/index.html. Photo credit: NASA/Kim Shiflett

KSC-2011-3322

NASA Image and Video Library

2011-05-05

CAPE CANAVERAL, Fla. -- Invited guests and media representatives attend a celebration at Complex 5/6 on Cape Canaveral Air Force Station in Florida. The celebration was held at the launch site of the first U.S. manned spaceflight May 5, 1961, to mark the 50th anniversary of the flight. Fifty years ago, astronaut Alan Shepard lifted off inside the Mercury capsule, "Freedom 7," atop an 82-foot-tall Mercury-Redstone rocket at 9:34 a.m. EST, sending him on a remarkably successful, 15-minute suborbital flight. The event was attended by more than 200 workers from the original Mercury program and included a re-creation of Shepard's flight and recovery, as well as a tribute to his contributions as a moonwalker on the Apollo 14 lunar mission. For more information, visit www.nasa.gov/topics/history/milestones/index.html. Photo credit: NASA/Kim Shiflett

KSC-2011-3316

NASA Image and Video Library

2011-05-05

CAPE CANAVERAL, Fla. -- Invited guests attend a celebration at Complex 5/6 on Cape Canaveral Air Force Station in Florida. The celebration was held at the launch site of the first U.S. manned spaceflight May 5, 1961, to mark the 50th anniversary of the flight. Fifty years ago, astronaut Alan Shepard lifted off inside the Mercury capsule, "Freedom 7," atop an 82-foot-tall Mercury-Redstone rocket at 9:34 a.m. EST, sending him on a remarkably successful, 15-minute suborbital flight. The event was attended by more than 200 workers from the original Mercury program and included a re-creation of Shepard's flight and recovery, as well as a tribute to his contributions as a moonwalker on the Apollo 14 lunar mission. For more information, visit www.nasa.gov/topics/history/milestones/index.html. Photo credit: NASA/Kim Shiflett

KSC-2011-3320

NASA Image and Video Library

2011-05-05

CAPE CANAVERAL, Fla. -- Invited guests of all ages attend a celebration at Complex 5/6 on Cape Canaveral Air Force Station in Florida. The celebration was held at the launch site of the first U.S. manned spaceflight May 5, 1961, to mark the 50th anniversary of the flight. Fifty years ago, astronaut Alan Shepard lifted off inside the Mercury capsule, "Freedom 7," atop an 82-foot-tall Mercury-Redstone rocket at 9:34 a.m. EST, sending him on a remarkably successful, 15-minute suborbital flight. The event was attended by more than 200 workers from the original Mercury program and included a re-creation of Shepard's flight and recovery, as well as a tribute to his contributions as a moonwalker on the Apollo 14 lunar mission. For more information, visit www.nasa.gov/topics/history/milestones/index.html. Photo credit: NASA/Kim Shiflett

KSC-2011-3326

NASA Image and Video Library

2011-05-05

CAPE CANAVERAL, Fla. -- Invited guests enjoy the program presented at a celebration at Complex 5/6 on Cape Canaveral Air Force Station in Florida. The celebration was held at the launch site of the first U.S. manned spaceflight May 5, 1961, to mark the 50th anniversary of the flight. Fifty years ago, astronaut Alan Shepard lifted off inside the Mercury capsule, "Freedom 7," atop an 82-foot-tall Mercury-Redstone rocket at 9:34 a.m. EST, sending him on a remarkably successful, 15-minute suborbital flight. The event was attended by more than 200 workers from the original Mercury program and included a re-creation of Shepard's flight and recovery, as well as a tribute to his contributions as a moonwalker on the Apollo 14 lunar mission. For more information, visit www.nasa.gov/topics/history/milestones/index.html. Photo credit: NASA/Kim Shiflett

Authors and editors assort on gender and geography in high-rank ecological publications

PubMed Central

Belou, Rebecca M.

2018-01-01

Peer-reviewed publication volume and caliber are widely-recognized proxies for academic merit, and a strong publication record is essential for academic success and advancement. However, recent work suggests that publication productivity for particular author groups may also be determined in part by implicit biases lurking in the publication pipeline. Here, we explore patterns of gender, geography, and institutional rank among authors, editorial board members, and handling editors in high-impact ecological publications during 2015 and 2016. A higher proportion of lead authors had female first names (33.9%) than editorial board members (28.9%), and the proportion of female first names among handling editors was even lower (21.1%). Female editors disproportionately edited publications with female lead authors (40.3% of publications with female lead authors were handled by female editors, though female editors handled only 34.4% of all studied publications). Additionally, ecological authors and editors were overwhelmingly from countries in the G8, and high-ranking academic institutions accounted for a large portion of both the published work, and its editorship. Editors and lead authors with female names were typically affiliated with higher-ranking institutions than their male peers. This description of author and editor features provides a baseline for benchmarking future trends in the ecological publishing culture. PMID:29420647

Authors and editors assort on gender and geography in high-rank ecological publications.

PubMed

Manlove, Kezia R; Belou, Rebecca M

2018-01-01

Peer-reviewed publication volume and caliber are widely-recognized proxies for academic merit, and a strong publication record is essential for academic success and advancement. However, recent work suggests that publication productivity for particular author groups may also be determined in part by implicit biases lurking in the publication pipeline. Here, we explore patterns of gender, geography, and institutional rank among authors, editorial board members, and handling editors in high-impact ecological publications during 2015 and 2016. A higher proportion of lead authors had female first names (33.9%) than editorial board members (28.9%), and the proportion of female first names among handling editors was even lower (21.1%). Female editors disproportionately edited publications with female lead authors (40.3% of publications with female lead authors were handled by female editors, though female editors handled only 34.4% of all studied publications). Additionally, ecological authors and editors were overwhelmingly from countries in the G8, and high-ranking academic institutions accounted for a large portion of both the published work, and its editorship. Editors and lead authors with female names were typically affiliated with higher-ranking institutions than their male peers. This description of author and editor features provides a baseline for benchmarking future trends in the ecological publishing culture.

JSME: a free molecule editor in JavaScript.

PubMed

Bienfait, Bruno; Ertl, Peter

2013-01-01

A molecule editor, i.e. a program facilitating graphical input and interactive editing of molecules, is an indispensable part of every cheminformatics or molecular processing system. Today, when a web browser has become the universal scientific user interface, a tool to edit molecules directly within the web browser is essential. One of the most popular tools for molecular structure input on the web is the JME applet. Since its release nearly 15 years ago, however the web environment has changed and Java applets are facing increasing implementation hurdles due to their maintenance and support requirements, as well as security issues. This prompted us to update the JME editor and port it to a modern Internet programming language - JavaScript. The actual molecule editing Java code of the JME editor was translated into JavaScript with help of the Google Web Toolkit compiler and a custom library that emulates a subset of the GUI features of the Java runtime environment. In this process, the editor was enhanced by additional functionalities including a substituent menu, copy/paste, drag and drop and undo/redo capabilities and an integrated help. In addition to desktop computers, the editor supports molecule editing on touch devices, including iPhone, iPad and Android phones and tablets. In analogy to JME the new editor is named JSME. This new molecule editor is compact, easy to use and easy to incorporate into web pages. A free molecule editor written in JavaScript was developed and is released under the terms of permissive BSD license. The editor is compatible with JME, has practically the same user interface as well as the web application programming interface. The JSME editor is available for download from the project web page http://peter-ertl.com/jsme/

Real-time and quantitative fluorescent live-cell imaging with quadruplex-specific red-edge probe (G4-REP).

PubMed

Yang, Sunny Y; Amor, Souheila; Laguerre, Aurélien; Wong, Judy M Y; Monchaud, David

2017-05-01

The development of quadruplex-directed molecular diagnostic and therapy rely on mechanistic insights gained at both cellular and tissue levels by fluorescence imaging. This technique is based on fluorescent reporters that label cellular DNA and RNA quadruplexes to spatiotemporally address their complex cell biology. The photophysical characteristics of quadruplex probes usually dictate the modality of cell imaging by governing the selection of the light source (lamp, LED, laser), the optical light filters and the detection modality. Here, we report the characterizations of prototype from a new generation of quadruplex dye termed G4-REP (for quadruplex-specific red-edge probe) that provides fluorescence responses regardless of the excitation wavelength and modality (owing to the versatility gained through the red-edge effect), thus allowing for diverse applications and most imaging facilities. This is demonstrated by cell images (and associated quantifications) collected through confocal and multiphoton microscopy as well as through real-time live-cell imaging system over extended period, monitoring both non-cancerous and cancerous human cell lines. Our results promote a new way of designing versatile, efficient and convenient quadruplex-reporting dyes for tracking these higher-order nucleic acid structures in living human cells. This article is part of a Special Issue entitled "G-quadruplex" Guest Editor: Dr. Concetta Giancola and Dr. Daniela Montesarchio. Copyright © 2016 Elsevier B.V. All rights reserved.

The two worlds of race revisited: a meditation on race in the age of Obama.

PubMed

Early, Gerald

2011-01-01

Nearly fifty years ago, the American Academy organized a conference and two issues of its journal "Daedalus" on the topic of "The Negro American." The project engaged top intellectuals and policy-makers around the conflicts and limitations of mid-1960s liberalism in dealing with race. Specifically, they grappled with the persistent question of how to integrate a forced-worker population that had been needed but that was socially undesirable once its original purpose no longer existed. Today, racism has been discredited as an idea and legally sanctioned segregation belongs to the past, yet the question the conference participants explored -- in essence, how to make the unwanted wanted -- still remains. Recent political developments and anticipated demographic shifts, however, have recast the terms of the debate. Gerald Early, guest editor for the present volume, uses Barack Obama's election to the presidency as a pretext for returning to the central question of "The Negro American" project and, in turn, asking how white liberalism will fare in the context of a growing minority population in the United States. Placing his observations alongside those made by John Hope Franklin in 1965, Early positions his essay, and this issue overall, as a meditation on how far we have come in America to reach "the age of Obama" and at the same time how far we have to go before we can overcome "the two worlds of race."

Risk mitigation strategies for viral contamination of biotechnology products: consideration of best practices.

PubMed

Rosenberg, Amy S; Cherney, Barry; Brorson, Kurt; Clouse, Kathleen; Kozlowski, Steven; Hughes, Patricia; Friedman, Rick

2011-01-01

CONFERENCE PROCEEDING Proceedings of the PDA/FDA Adventitious Viruses in Biologics: Detection and Mitigation Strategies Workshop in Bethesda, MD, USA; December 1-3, 2010 Guest Editors: Arifa Khan (Bethesda, MD), Patricia Hughes (Bethesda, MD) and Michael Wiebe (San Francisco, CA) Viral contamination of biotech product facilities is a potentially devastating manufacturing risk and, unfortunately, is more common than is generally reported or previously appreciated. Although viral contaminants of biotech products are thought to originate principally from biological raw materials, all potential process risks merit evaluation. Limitations to existing methods for virus detection are becoming evident as emerging viruses have contaminated facilities and disrupted supplies of critical products. New technologies, such as broad-based polymerase chain reaction screens for multiple virus types, are increasingly becoming available to detect adventitious viral contamination and thus, mitigate risks to biotech products and processes. Further, the industry embrace of quality risk management that promotes improvements in testing stratagems, enhanced viral inactivation methods for raw materials, implementation and standardization of robust viral clearance procedures, and efforts to learn from both epidemiologic screening of raw material sources and from the experience of other manufacturers with regard to this problem will serve to enhance the safety of biotech products available to patients. Based on this evolving landscape, we propose a set of principles for manufacturers of biotech products: Pillars of Risk Mitigation for Viral Contamination of Biotech Products.

Backbone modified TBA analogues endowed with antiproliferative activity.

PubMed

Esposito, Veronica; Russo, Annapina; Amato, Teresa; Varra, Michela; Vellecco, Valentina; Bucci, Mariarosaria; Russo, Giulia; Virgilio, Antonella; Galeone, Aldo

2017-05-01

The thrombin binding aptamer (TBA) is endowed with antiproliferative properties but its potential development is counteracted by the concomitant anticoagulant activity. Five oligonucleotides (ODNs) based on TBA sequence (GGTTGGTGTGGTTGG) and containing l-residues or both l-residues and inversion of polarity sites have been investigated by NMR and CD techniques for their ability to form G-quadruplex structures. Furthermore, their anticoagulant (PT assay) and antiproliferative properties (MTT assay), and their resistance in fetal bovine serum have been tested. CD and NMR data suggest that the investigated ODNs are able to form right- and left-handed G-quadruplex structures. All ODNs do not retain the anticoagulant activity characteristic of TBA but are endowed with a significant antiproliferative activity against two cancerous cell lines. Their resistance in biological environment after six days is variable, depending on the ODN. A comparison between results and literature data suggests that the antiproliferative activity of the TBA analogues investigated could depends on two factors: a) biological pathways and targets different from those already identified or proposed for other antiproliferative G-quadruplex aptamers, and b) the contribution of the guanine-based degradation products. Modified TBA analogues containing l-residues and inversion of polarity sites lose the anticoagulant activity but gain antiproliferative properties against two cancer cell lines. This article is part of a Special Issue entitled "G-quadruplex" Guest Editor: Dr. Concetta Giancola and Dr. Daniela Montesarchio. Copyright © 2016 Elsevier B.V. All rights reserved.

Authorship issues

PubMed Central

Bavdekar, Sandeep B.

2012-01-01

Authorship is a highly sought attribute, as it is associated with recognition for creativity. In addition, it is associated with multiple benefits such as peer recognition, better evaluation and financial gains. These possibilities spur scientists to author articles, but some take recourse to unethical practice of honorary authorships. Another unethical practice is that of ghostwriting. It is a phenomenon wherein individuals who write the articles are not named as authors and are not even acknowledged to be associated with the manuscript. Reputed and renowned scientists, who have not participated in the conduct of the study or in the manuscript preparation, are enrolled by the industry to allow their names to be mentioned as authors. This phenomenon is harmful not only because it suppresses the contribution of ghost-authors but also because the guest “authors” bestow underserved credibility upon an “industry-written” paper. The readers have no way of knowing the bias that may have crept in. The journal editors, institution, and government agencies need to come together to ensure that these malpractices are curbed by employing various measures such as creating awareness amongst authors, academicians, and administrators; enunciating and implementing policies to dissuade unethical behavior, protecting whistle-blowers, and providing punishments to those indulging in malpractices. All of us should remember that if unchecked, these deviant behaviors have the potential to compromise the credibility of scientific research and scientific publications. PMID:22345922

Notes towards a 'social aesthetic': Guest editors' introduction to the special section.

PubMed

Olcese, Cristiana; Savage, Mike

2015-12-01

There is an emerging 'aesthetic turn' within sociology which currently lacks clear focus. This paper reviews the different issues feeding into this interest and contributes to its development. Previous renderings of this relationship have set the aesthetic up against sociology, as an emphasis which 'troubles' conventional understandings of sociality and offers no ready way of reconciling the aesthetic with the social. Reflecting on the contributions of recent social theorists, from figures including Bourdieu, Born, Rancière, Deleuze, and Martin, we argue instead for the value of a social aesthetic which critiques instrumentalist and reductive understandings of the social itself. In explicating what form this might take, the latter parts of the paper take issue with classical modernist conceptions of the aesthetic which continue to dominate popular and sociological understandings of the aesthetic, and uses the motif of 'walking' to show how the aesthetic can be rendered in terms of 'the mundane search' and how this search spans everyday experience and cultural re-production. We offer a provisional definition of social aesthetics as the embedded and embodied process of meaning making which, by acknowledging the physical/corporeal boundaries and qualities of the inhabited world, also allows imagination to travel across other spaces and times. It is hoped that this approach can be a useful platform for further inquiry. © London School of Economics and Political Science 2015.

Rewiring protein synthesis: From natural to synthetic amino acids.

PubMed

Fan, Yongqiang; Evans, Christopher R; Ling, Jiqiang

2017-11-01

The protein synthesis machinery uses 22 natural amino acids as building blocks that faithfully decode the genetic information. Such fidelity is controlled at multiple steps and can be compromised in nature and in the laboratory to rewire protein synthesis with natural and synthetic amino acids. This review summarizes the major quality control mechanisms during protein synthesis, including aminoacyl-tRNA synthetases, elongation factors, and the ribosome. We will discuss evolution and engineering of such components that allow incorporation of natural and synthetic amino acids at positions that deviate from the standard genetic code. The protein synthesis machinery is highly selective, yet not fixed, for the correct amino acids that match the mRNA codons. Ambiguous translation of a codon with multiple amino acids or complete reassignment of a codon with a synthetic amino acid diversifies the proteome. Expanding the genetic code with synthetic amino acids through rewiring protein synthesis has broad applications in synthetic biology and chemical biology. Biochemical, structural, and genetic studies of the translational quality control mechanisms are not only crucial to understand the physiological role of translational fidelity and evolution of the genetic code, but also enable us to better design biological parts to expand the proteomes of synthetic organisms. This article is part of a Special Issue entitled "Biochemistry of Synthetic Biology - Recent Developments" Guest Editor: Dr. Ilka Heinemann and Dr. Patrick O'Donoghue. Copyright © 2017 Elsevier B.V. All rights reserved.

A Multiparticulate Delivery System for Potential Colonic Targeting Using Bovine Serum Albumin as a Model Protein : Theme: Formulation and Manufacturing of Solid Dosage Forms Guest Editors: Tony Zhou and Tonglei Li.

PubMed

Jiang, Bowen; Yu, Hua; Zhang, Yongrong; Feng, Hanping; Hoag, Stephen W

2017-12-01

There are many important diseases whose treatment could be improved by delivering a therapeutic protein to the colon, for example, Clostridium difficile infection, ulcerative colitis and Crohn's Disease. The goal of this project was to investigate the feasibility of colonic delivery of proteins using multiparticulate beads. In this work, bovine serum albumin (BSA) was adopted as a model protein. BSA was spray layered onto beads, followed by coating of an enteric polymer EUDRAGIT® FS 30 D to develop a colonic delivery system. The secondary and tertiary structure change and aggregation of BSA during spray layering process was examined. The BSA layered beads were then challenged in an accelerated stability study using International Council for Harmonization (ICH) conditions. The in vitro release of BSA from enteric coated beads was examined using United States Pharmacopeia (USP) dissolution apparatus 1. No significant changes in the secondary and tertiary structure or aggregation profile of BSA were observed after the spray layering process. Degradation of BSA to different extents was detected after storing at 25°C and 40°C for 38 days. Enteric coated BSA beads were intact in acidic media while released BSA in pH 7.4 phosphate buffer. We showed the feasibility of delivering proteins to colon in vitro using multiparticulate system.

The Design of Molecular Hosts, Guests, and Their Complexes.

ERIC Educational Resources Information Center

Cram, Donald J.

1988-01-01

Describes the origins, definitions, tools, and principles of host-guest chemistry. Gives examples of chiral recognition in complexation, of partial transacylase mimics, of caviplexes, and of a synthetic molecular cell. (Author/RT)

Electrospun Lipid Binding Proteins Composite Nanofibers with Antibacterial Properties.

PubMed

Tomaselli, Simona; Ramirez, Diego Omar Sanchez; Carletto, Riccardo Andrea; Varesano, Alessio; Vineis, Claudia; Zanzoni, Serena; Molinari, Henriette; Ragona, Laura

2017-04-01

Electrospinning is here used for the first time to prepare nanofibers including a host/guest complex in a keratin/poly(ethylene oxide) matrix. The host is a lipid binding protein and the guest is an insoluble bactericidal molecule, irgasan, bound within the protein internal cavity. The obtained nanofibers, characterized by scanning electron microscopy, exhibit excellent antibacterial activity toward Gram positive and negative bacteria, even with a moderate protein/irgasan cargo. Solution NMR studies, employed to provide molecular information on the cargo system, points to a micromolar affinity, compatible with both the electrospinning process and slow guest release. The versatility of the carrier protein, capable of interacting with a variety of druggable hydrophobic molecules, is exploitable for the development of innovative biomedical devices, whose properties can be tuned by the selected guest. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Transforming MOFs for energy applications using the guest@MOF concept

DOE PAGES

Ullman, Andrew M.; Brown, Jonathan W.; Foster, Michael E.; ...

2016-07-11

As the world transitions from fossil fuels to clean energy sources in the coming decades, many technological challenges will require chemists and material scientists to develop new materials for applications related to energy conversion, storage, and efficiency. Because of their unprecedented adaptability, metal–organic frameworks (MOFs) will factor strongly in this portfolio. By utilizing the broad synthetic toolkit provided by the fields of organic and inorganic chemistry, MOF pores can be customized to suit a particular application. Of particular importance is the ability to tune the strength of the interaction between the MOF pores and guest molecules. By cleverly controlling thesemore » MOF–guest interactions, the chemist may impart new function into the Guest@MOF materials otherwise lacking in vacant MOF. Herein, we highlight the concept of the Guest@MOF as it relates to our efforts to develop these materials for energy-related applicatons. Additionally, our work in the areas of H 2 and noble gas storage, hydrogenolysis of biomass, light-harvesting, and conductive materials will be discussed. Of relevance to light-harvesting applications, we report for the first time a postsynthetic modification strategy for increasing the loading of a light-sensitive electron-donor molecule in the pores of a functionalized MIL-101 structure. Through the demonstrated versatility of these approaches, we show that, by treating guest molecules as integral design elements for new MOF constructs, MOF science can have a significant impact on the advancement of clean energy technologies.« less

Transforming MOFs for Energy Applications Using the Guest@MOF Concept.

PubMed

Ullman, Andrew M; Brown, Jonathan W; Foster, Michael E; Léonard, François; Leong, Kirsty; Stavila, Vitalie; Allendorf, Mark D

2016-08-01

As the world transitions from fossil fuels to clean energy sources in the coming decades, many technological challenges will require chemists and material scientists to develop new materials for applications related to energy conversion, storage, and efficiency. Because of their unprecedented adaptability, metal-organic frameworks (MOFs) will factor strongly in this portfolio. By utilizing the broad synthetic toolkit provided by the fields of organic and inorganic chemistry, MOF pores can be customized to suit a particular application. Of particular importance is the ability to tune the strength of the interaction between the MOF pores and guest molecules. By cleverly controlling these MOF-guest interactions, the chemist may impart new function into the Guest@MOF materials otherwise lacking in vacant MOF. Herein, we highlight the concept of the Guest@MOF as it relates to our efforts to develop these materials for energy-related applicatons. Our work in the areas of H2 and noble gas storage, hydrogenolysis of biomass, light-harvesting, and conductive materials will be discussed. Of relevance to light-harvesting applications, we report for the first time a postsynthetic modification strategy for increasing the loading of a light-sensitive electron-donor molecule in the pores of a functionalized MIL-101 structure. Through the demonstrated versatility of these approaches, we show that, by treating guest molecules as integral design elements for new MOF constructs, MOF science can have a significant impact on the advancement of clean energy technologies.

Preparing Students To Work on Newspaper Copy Desks: Are Educators Meeting Editors' Expectations?

ERIC Educational Resources Information Center

Auman, Ann E.; Cook, Betsy B.

A study surveyed two groups in the fall of 1994, journalism educators and newspaper editors. Educators completed a survey regarding the course content and skill areas emphasized in beginning level copy editing courses, while editors were asked to respond to questions regarding the skills they expect entry-level copy editors to have. Respondents…

MRAPs, Irregular Warfare, and Pentagon Reform

DTIC Science & Technology

2009-06-01

U P R E S S S TA F F COLONEL DAVID H. GURNEY, USMC (RET.) Director DR. JEFFREY D. SMOTHERMAN Executive Editor GEORGE C. MAERZ Supervisory Editor...LISA M. YAMBRICK Writer-Editor CALVIN B. KELLEY Writer-Editor MARTIN J. PETERS Production Supervisor TARA J. PAREKH Visual Design Editor O T H E R T I T ...L E S I N T H E S E R I E S Choosing War: The Decision to Invade Iraq and Its Aftermath Occasional Paper 5, April 2008 China’s Global Activism

Web-Based Media Contents Editor for UCC Websites

NASA Astrophysics Data System (ADS)

Kim, Seoksoo

The purpose of this research is to "design web-based media contents editor for establishing UCC(User Created Contents)-based websites." The web-based editor features user-oriented interfaces and increased convenience, significantly different from previous off-line editors. It allows users to edit media contents online and can be effectively used for online promotion activities of enterprises and organizations. In addition to development of the editor, the research aims to support the entry of enterprises and public agencies to the online market by combining the technology with various UCC items.

Circularly Polarized Luminescence from Inorganic Materials: Encapsulating Guest Lanthanide Oxides in Chiral Silica Hosts.

PubMed

Sugimoto, Masumi; Liu, Xin-Ling; Tsunega, Seiji; Nakajima, Erika; Abe, Shunsuke; Nakashima, Takuya; Kawai, Tsuyoshi; Jin, Ren-Hua

2018-05-02

Recently, circularly polarized luminescence (CPL)-active systems have become a very hot and interesting subject in chirality- and optics-related areas. The CPL-active systems are usually available by two approaches: covalently combining a luminescent centre to chiral motif or associating the guest of luminescent probe to a chiral host. However, all the chiral components in CPL materials were organic, although the luminescent components were alternatively organics or inorganics. Herein, the first totally inorganic CPL-active system by "luminescent guest-chiral host" strategy is proposed. Luminescent sub-10 nm lanthanide oxides (Eu 2 O 3 or Tb 2 O 3 ) nanoparticles (guests) were encapsulated into chiral non-helical SiO 2 nanofibres (host) through calcination of chiral SiO 2 hybrid nanofibres, trapping Eu 3+ (or Tb 3+ ). These lanthanide oxides display circular dichroism (CD) optical activity in the ultraviolet wavelength and CPL signals around at 615 nm for Eu 3+ and 545 nm for Tb 3+ . This work has implications for inorganic-based CPL-active systems by incorporation of various luminescent guests within chiral inorganic hosts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nonlinear optical moiety-doped polymers with improved optical properties for photonic devices

NASA Astrophysics Data System (ADS)

Lee, Myung-Hyun; Kim, Hwan K.; Kim, Hye-Young; Lee, Hyuek J.; Kang, K. H.; Won, Yong Hyub; Jeon, Eunsuk S.; Wu, Jeong W.

1994-05-01

An electro-optic polymer guest-host system has been constructed and demonstrated. The polymer host is a polyimide (PIQ2200) and the guest chromophores are dimethyl (or diethyl) amino alkyl sulfone stilbenes. The alkylated-NLO moieties as guest chromophores have been modified, yielding new alkylated-NLO moieties. The higher content of alkylated-NLO moieties, compared to unmodified NLO moieties, was doped into a polyimide host system due to the improved solubility of new alkylated-NLO moieties. To the 40 wt%, the new alkylated- NLO moiety has been completely dissolved in the preliminary experiment, leading to the increase of refractive index by 0.0016. These polyimide-based guest-host systems exhibited a significant improvement in the thermal stability at high temperatures exceeding 250 degree(s)C. The electro-optic coefficient reported in the present study is 13 pm/V for the 40 wt% DASS-6- doped polymer system poled at the 135 V/micrometers . However, further increase up to 25 pm/V may easily be achieved by increasing the amount of guest moieties and/or the intensity of the poling field. This work presents new materials for photonic switching devices with low operating voltage.

Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta

Ambient temperature spin crossover with wide hysteresis has been achieved in 2D Hofmann-type materials, where removal of guest molecules optimises ligand–ligand interactions, resulting in increased cooperativity.

Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal

DOE PAGES

Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; ...

2018-01-01

Ambient temperature spin crossover with wide hysteresis has been achieved in 2D Hofmann-type materials, where removal of guest molecules optimises ligand–ligand interactions, resulting in increased cooperativity.

Towards the fluorogenic detection of peroxide explosives through host–guest chemistry

PubMed Central

Almenar, Estefanía; Costero, Ana M.; Gil, Salvador; Parra, Margarita

2018-01-01

Two dansyl-modified β-cyclodextrin derivatives (1 and 2) have been synthesized as host–guest sensory systems for the direct fluorescent detection of the peroxide explosives diacetone diperoxide (DADP) and triacetone triperoxide (TATP) in aqueous media. The sensing is based on the displacement of the dansyl moiety from the cavity of the cyclodextrin by the peroxide guest resulting in a decrease of the intensity of the fluorescence of the dye. Both systems showed similar fluorescent responses and were more sensitive towards TATP than DADP. PMID:29765646

Specification Improvement Through Analysis of Proof Structure (SITAPS): High Assurance Software Development

DTIC Science & Technology

2016-02-01

from the tools being used. For example, while Coq proves properties it does not dump an explanation of the proofs in any currently supported form. The...Distribution Unlimited 5 Hotel room locks and card keys use a simple protocol to manage the transition of rooms from one guest to the next. The lock...retains that guest key’s code. A new guest checks in and gets a card with a new current code, and the previous code set to the previous guest’s current

Tunable electrical conductivity in metal-organic framework thin film devices

DOEpatents

Talin, Albert Alec; Allendorf, Mark D.; Stavila, Vitalie; Leonard, Francois

2016-08-30

A composition including a porous metal organic framework (MOF) including an open metal site and a guest species capable of charge transfer that can coordinate with the open metal site, wherein the composition is electrically conductive. A method including infiltrating a porous metal organic framework (MOF) including an open metal site with a guest species that is capable of charge transfer; and coordinating the guest species to the open metal site to form a composition including an electrical conductivity greater than an electrical conductivity of the MOF.

Tunable electrical conductivity in metal-organic framework thin film devices

DOEpatents

Talin, Albert Alec; Allendorf, Mark D.; Stavila, Vitalie; Leonard, Francois

2016-05-24

A composition including a porous metal organic framework (MOF) including an open metal site and a guest species capable of charge transfer that can coordinate with the open metal site, wherein the composition is electrically conductive. A method including infiltrating a porous metal organic framework (MOF) including an open metal site with a guest species that is capable of charge transfer; and coordinating the guest species to the open metal site to form a composition including an electrical conductivity greater than an electrical conductivity of the MOF.

A Two-Stream Plasma Electron Microwave Source for High-Power Millimeter Wave Generation. Phase 1

DTIC Science & Technology

1989-03-29

MIT Press, Cambridge, MA, 1963). these findings that strong amplification is possible for repre- ’See, for example, G. E. Guest and D. J. Sigmar , Nucl...stringency of the stability criteria for electrostatic and whistler modes, as fl(z=O, 6, t=O) = -i/2u,(e/m) discussed by Guest and Sigmar [22], and...therein. Function. Academic Press, New York (1961). 1221 GUEST, G.E., SIGMAR , D.J., Nuci. Fusion It1(1971) [271 ABRAMOWITZ, M., STEGUN. I.A. (Eds

29 CFR 793.8 - “News editor.”

Code of Federal Regulations, 2013 CFR

2013-07-01

... 29 Labor 3 2013-07-01 2013-07-01 false âNews editor.â 793.8 Section 793.8 Labor Regulations... Exemption § 793.8 “News editor.” A news editor is an employee who gathers, edits and rewrites the news. He may also select and prepare news items for broadcast and present the news on the air. An employee who...

29 CFR 793.8 - “News editor.”

Code of Federal Regulations, 2011 CFR

2011-07-01

... 29 Labor 3 2011-07-01 2011-07-01 false âNews editor.â 793.8 Section 793.8 Labor Regulations... Exemption § 793.8 “News editor.” A news editor is an employee who gathers, edits and rewrites the news. He may also select and prepare news items for broadcast and present the news on the air. An employee who...

29 CFR 793.8 - “News editor.”

Code of Federal Regulations, 2012 CFR

2012-07-01

... 29 Labor 3 2012-07-01 2012-07-01 false âNews editor.â 793.8 Section 793.8 Labor Regulations... Exemption § 793.8 “News editor.” A news editor is an employee who gathers, edits and rewrites the news. He may also select and prepare news items for broadcast and present the news on the air. An employee who...

29 CFR 793.8 - “News editor.”

Code of Federal Regulations, 2010 CFR

2010-07-01

... 29 Labor 3 2010-07-01 2010-07-01 false âNews editor.â 793.8 Section 793.8 Labor Regulations... Exemption § 793.8 “News editor.” A news editor is an employee who gathers, edits and rewrites the news. He may also select and prepare news items for broadcast and present the news on the air. An employee who...

29 CFR 793.8 - “News editor.”

Code of Federal Regulations, 2014 CFR

2014-07-01

... 29 Labor 3 2014-07-01 2014-07-01 false âNews editor.â 793.8 Section 793.8 Labor Regulations... Exemption § 793.8 “News editor.” A news editor is an employee who gathers, edits and rewrites the news. He may also select and prepare news items for broadcast and present the news on the air. An employee who...

Academic Degradation and the Retreat of the Editors: Academic Irregularities and the Spreading of Academic Corruption from an Editor's Perspective

ERIC Educational Resources Information Center

Xun, Gong

2007-01-01

Against the backdrop of the grave academic crisis in China, editors have become the objects of wooing, favor-currying, connections-seeking, and collusions; they have been targeted for attacks, plots, extortions, and encroachments. Editing and publishing have become avenues for academic irregularities and academic corruption. Editors have the power…

Cyclic Bis-porphyrin-Based Flexible Molecular Containers: Controlling Guest Arrangements and Supramolecular Catalysis by Tuning Cavity Size.

PubMed

Mondal, Pritam; Sarkar, Sabyasachi; Rath, Sankar Prasad

2017-05-23

Three cyclic zinc(II) bis-porphyrins (CB) with highly flexible linkers are employed as artificial molecular containers that efficiently encapsulate/coordinate various aromatic aldehydes within their cavities. Interestingly, the arrangements of guests and their reactivity inside the molecular clefts are significantly influenced by the cavity size of the cyclic containers. In the presence of polycyclic aromatic aldehydes, such as 3-formylperylene, as a guest, the cyclic bis-porphyrin host with a smaller cavity (CB1) forms a 1:1 sandwich complex. Upon slightly increasing the spacer length and thereby the cavity size, the cyclic host (CB2) encapsulates two molecules of 3-formylperylene that are also stacked together due to strong π-π interactions between them and CH-π interactions with the porphyrin rings. However, in the cyclic host (CB3) with an even larger cavity, two metal centers of the bis-porphyrin axially coordinate two molecules of 3-formylperylene within its cavity. Different arrangements of guest inside the cyclic bis-porphyrin hosts are investigated by using UV/Vis, ESI-MS, and 1 H NMR spectroscopy, along with X-ray structure determination of the host-guest complexes. Moreover, strong binding of guests within the cyclic bis-porphyrin hosts support the robust nature of the host-guest assemblies in solution. Such preferential binding of the bis-porphyrinic cavity towards aromatic aldehydes through encapsulation/coordination has been employed successfully to catalyze the Knoevenagel condensation of a series of polycyclic aldehydes with active methylene compounds (such as Meldrum's acid and 1, 3-dimethylbarbituric acid) under ambient conditions. Interestingly, the yields of the condensed products significantly increase upon increasing spacer lengths of the cyclic bis-porphyrins because more substrates can then be encapsulated within the cavity. Such controllable cavity size of the cyclic containers has profound implications for constructing highly functional and modular enzyme mimics. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

EDITORIAL: Special section: Selected papers from the Second European Workshop on Monte Carlo Treatment Planning (MCTP2009) Special section: Selected papers from the Second European Workshop on Monte Carlo Treatment Planning (MCTP2009)

NASA Astrophysics Data System (ADS)

Spezi, Emiliano

2010-08-01

Sixty years after the paper 'The Monte Carlo method' by N Metropolis and S Ulam in The Journal of the American Statistical Association (Metropolis and Ulam 1949), use of the most accurate algorithm for computer modelling of radiotherapy linear accelerators, radiation detectors and three dimensional patient dose was discussed in Wales (UK). The Second European Workshop on Monte Carlo Treatment Planning (MCTP2009) was held at the National Museum of Wales in Cardiff. The event, organized by Velindre NHS Trust, Cardiff University and Cancer Research Wales, lasted two and a half days, during which leading experts and contributing authors presented and discussed the latest advances in the field of Monte Carlo treatment planning (MCTP). MCTP2009 was highly successful, judging from the number of participants which was in excess of 140. Of the attendees, 24% came from the UK, 46% from the rest of Europe, 12% from North America and 18% from the rest of the World. Fifty-three oral presentations and 24 posters were delivered in a total of 12 scientific sessions. MCTP2009 follows the success of previous similar initiatives (Verhaegen and Seuntjens 2005, Reynaert 2007, Verhaegen and Seuntjens 2008), and confirms the high level of interest in Monte Carlo technology for radiotherapy treatment planning. The 13 articles selected for this special section (following Physics in Medicine and Biology's usual rigorous peer-review procedure) give a good picture of the high quality of the work presented at MCTP2009. The book of abstracts can be downloaded from http://www.mctp2009.org. I wish to thank the IOP Medical Physics and Computational Physics Groups for their financial support, Elekta Ltd and Dosisoft for sponsoring MCTP2009, and leading manufacturers such as BrainLab, Nucletron and Varian for showcasing their latest MC-based radiotherapy solutions during a dedicated technical session. I am also very grateful to the eight invited speakers who kindly accepted to give keynote presentations which contributed significantly to raising the quality of the event and capturing the interest of the medical physics community. I also wish to thank all those who contributed to the success of MCTP2009: the members of the local Organizing Committee and the Workshop Management Team who managed the event very efficiently, the members of the European Working Group in Monte Carlo Treatment Planning (EWG-MCTP) who acted as Guest Associate Editors for the MCTP2009 abstracts reviewing process, and all the authors who generated new, high quality work. Finally, I hope that you find the contents of this special section enjoyable and informative. Emiliano Spezi Chairman of MCTP2009 Organizing Committee and Guest Editor References Metropolis N and Ulam S 1949 The Monte Carlo method J. Amer. Stat. Assoc. 44 335-41 Reynaert N 2007 First European Workshop on Monte Carlo Treatment Planning J. Phys.: Conf. Ser. 74 011001 Verhaegen F and Seuntjens J 2005 International Workshop on Current Topics in Monte Carlo Treatment Planning Phys. Med. Biol. 50 Verhaegen F and Seuntjens J 2008 International Workshop on Monte Carlo Techniques in Radiotherapy Delivery and Verification J. Phys.: Conf. Ser. 102 011001

39. Photocopy of photograph (original in possession of WACC), photographer ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

39. Photocopy of photograph (original in possession of WACC), photographer unknown, c.1930's GUEST DINING ROOM WITH TABLE LAID FOR GUESTS - Faraway Ranch, Erickson-Riggs Ranch House, State Highway 181, Willcox, Cochise County, AZ

Prospects for Prevention and Amelioration of Mental Retardation: A Guest Editorial

ERIC Educational Resources Information Center

Clarke, A. D. B.; Clarke, Ann M.

1977-01-01

In a guest editorial, the view of the President's Committee on Mental Retardation (1972), that the incidence of mental retardation can be decreased by 50 percent by the year 2000, is critically examined. (BB)

50th Anniversary Gala

NASA Image and Video Library

2011-10-15

NASA Administrator Charles Bolden (at podium) speaks to guests gathered for Stennis Space Center's 50th Anniversary Gala event Oct. 15. The event was attended by more than 300 NASA employees and guests and featured various program presentations and speakers.

Bertram Brockhouse, the Triple-axis Spectrometer, and Neutron Spectroscopy

Science.gov Websites

foreign guest scientist in the Reactor Department at Brookhaven National Laboratory [BNL]. During this and light and heavy water ... .'1 Brockhouse was again a foreign guest scientist at BNL in 1970. He

Encapsulation of a rhodamine dye within a bile acid binding protein: toward water processable functional bio host-guest materials.

PubMed

Tomaselli, Simona; Giovanella, Umberto; Pagano, Katiuscia; Leone, Giuseppe; Zanzoni, Serena; Assfalg, Michael; Meinardi, Francesco; Molinari, Henriette; Botta, Chiara; Ragona, Laura

2013-10-14

New strategies are requested for the preparation of bioinspired host-guest complexes to be employed in technologically relevant applications, as sensors and optoelectronic devices. We report here a new approach employing a single monomeric protein as host for the strongly fluorescent rhodamine dye. The selected protein, belonging to the intracellular lipid binding protein family, fully encapsulates one rhodamine molecule inside its cavity forming a host-guest complex stabilized by H and π-hydrogen bonds, a salt bridge, and favorable hydrophobic contacts, as revealed by the NMR derived structural model. The protein-dye solutions are easily processable and form homogeneous thin films exhibiting excellent photophysical and morphological properties, as derived from photoluminescence and AFM data. The obtained results represent the proof of concept of the viability of this bio host-guest system for the development of bioinspired optoelectronic devices.

Hexahomotrioxacalix[3]arene derivatives as ionophores for molecular recognition of dopamine, serotonin and phenylethylamine.

PubMed

Ni, Xin-Long; Rahman, Shofiur; Wang, Shi; Jin, Cheng-Cheng; Zeng, Xi; Hughes, David L; Redshaw, Carl; Yamato, Takehiko

2012-06-21

The lower rim functionalized hexahomotrioxacalix[3]arene derivatives cone-3 and cone-5 bearing three benzyl and three N,N-diethyl-2-aminoethoxy groups, respectively, were synthesized from triol 1. Their complexation with 2-(3,4-dihydroxyphenyl)ethylamine (dopamine), 5-hydroxytryptamine (serotonin), and 2-phenylethylamine (phenethylamine), which have biologically important activities, has been studied by (1)H-NMR spectroscopy. The chemical shifts of the aromatic protons of the host and guest molecules and the up-field shifts of the ethyl protons of the guest molecules strongly suggest the formation of inclusion complexes in solution. The formation of the host-guest complexes is assisted by a hydrogen bond and/or an electrostatic interaction between the host and ammonium ion (RNH(3)(+)) of the guest. The structures of receptors cone-3 and cone-5 have been determined by X-ray crystallography.

Computational study of the interplay between intermolecular interactions and CO2 orientations in type I hydrates.

PubMed

Pérez-Rodríguez, M; Vidal-Vidal, A; Míguez, J M; Blas, F J; Torré, J-P; Piñeiro, M M

2017-01-25

Carbon dioxide (CO 2 ) molecules show a rich orientation landscape when they are enclathrated in type I hydrates. Previous studies have described experimentally their preferential orientations, and some theoretical works have explained, but only partially, these experimental results. In the present paper, we use classical molecular dynamics and electronic density functional theory to advance in the theoretical description of CO 2 orientations within type I hydrates. Our results are fully compatible with those previously reported, both theoretical and experimental, the geometric shape of the cavities in hydrate being, and therefore, the steric constraints, responsible for some (but not all) preferential angles. In addition, our calculations also show that guest-guest interactions in neighbouring cages are a key factor to explain the remaining experimental angles. Besides the implication concerning equation of state hydrate modeling approximations, the conclusion is that these guest-guest interactions should not be neglected, contrary to the usual practice.

Trapping guests within a nanoporous metal-organic framework through pressure-induced amorphization.

PubMed

Chapman, Karena W; Sava, Dorina F; Halder, Gregory J; Chupas, Peter J; Nenoff, Tina M

2011-11-23

The release of guest species from within a nanoporous metal-organic framework (MOF) has been inhibited by amorphization of the guest-loaded framework structure under applied pressure. Thermogravimetric analyses have shown that by amorphizing ZIF-8 following sorption of molecular I(2), a hazardous radiological byproduct of nuclear energy production, the pore apertures in the framework are sufficiently distorted to kinetically trap I(2) and improve I(2) retention. Pair distribution function (PDF) analysis indicates that the local structure of the captive I(2) remains essentially unchanged upon amorphization of the framework, with the amorphization occurring under the same conditions for the vacant and guest-loaded framework. The low, accessible pressure range needed to effect this change in desorption is much lower than in tradition sorbents such as zeolites, opening the possibility for new molecular capture, interim storage, or controlled release applications.

Motion of the guest ion as precursor to the first-order phase transition in the cage system GdB6

NASA Astrophysics Data System (ADS)

Iwasa, Kazuaki; Igarashi, Ryosuke; Saito, Kotaro; Laulhé, Claire; Orihara, Toshihiko; Kunii, Satoru; Kuwahara, Keitaro; Nakao, Hironori; Murakami, Youichi; Iga, Fumitoshi; Sera, Masafumi; Tsutsui, Satoshi; Uchiyama, Hiroshi; Baron, Alfred Q. R.

2011-12-01

The motion of guest Gd ions in oversized boron cages in GdB6 was investigated from phonon spectra measurements obtained by inelastic x-ray scattering. The measured phonon modes soften by about 10% from 300 K down to TN=16 K, in particular, the longitudinal phonon for the propagation vector q1=(1/2,0,0) that characterizes the distorted structure below TN. Besides, the dispersion relation curves show kinklike anomalies at qk=(0.38,0.38,0). The observed results imply that the motion of the guest Gd ion interplays with the f electrons magnetoelastically and with carriers via Fermi surface nesting. The anomalous properties previously reported for this material far above TN originate from the strong electron-phonon coupling, which causes the motion of guest ions as precursors to the first-order phase transition.

Opening editorial 2016: Changes in scope and structure.

PubMed

Kazak, Anne E

2016-01-01

This issue of American Psychologist (AP) marks historic changes in the editorial structure and leadership of AP and related shifts in the refinement of the mission of AP and the types of papers AP will publish. As the new editor-in-chief (EIC) of AP, I am enthusiastic about psychology and the many ways that psychological knowledge can improve our lives and the societies in which we live. AP will continue to reflect the whole of psychology and welcomes the input and involvement of individuals from all areas of the field. In this editorial, I offer readers a brief overview of current journal activities and procedures for the flagship journal of the American Psychological Association (APA). (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Editors on Unix

NASA Astrophysics Data System (ADS)

Clayton, C. A.

The purpose of this document is to give new users advice on how to choose which editor to use on Unix machines. Under Unix the default editors are considered to be unfriendly and many users prefer to use other more sophisticated alternatives. However, many such alternatives exist; there is not one single editor that everyone finds acceptable and hence each user must decide for himself or herself which to adopt.

The Lives and Hard Times of Magazine Editors in the Big Apple: A Report on the Society of Magazine Editors' Educators Seminar.

ERIC Educational Resources Information Center

English, John W.

This report chronicles the first Society of Magazine Editors' educators seminar, which was held in New York from May 13-17, 1974, and was attended by ten journalism faculty. The industry's concerns, as expressed through editors, are paper, printing, postage, people, and profit. The Magazine Publishers Association (MPA) seems mostly concerned with…

Views of Iranian medical journal editors on medical research publication.

PubMed

Etemadi, Arash; Raiszadeh, Farbod; Alaeddini, Farshid; Azizi, Fereidoun

2004-01-01

Medical journal editors play an important role in optimizing research publication. This study evaluates the views of Iranian medical journal editors, and their knowledge of medical publication standards. In May 2001, 51 editors from all journals approved by the Ministry of Health were invited to participate, 27 of whom completed the study. A self-administered questionnaire, based on the Uniform Requirements for Manuscripts Submitted to Biomedical Journals (URMS) was used which consisted of 28 questions in 9 subject fields. These fields included: peer review, conflicts of interest, authorship criteria, publication ethics, duplicate publication, mass media, advertising, competing manuscripts, and the Internet. The knowledge of the editors was assessed by a scoring system, with a range of -46 to +44 points. Twenty-three of the participants were editors-in-chief and 4 were managing editors. Their average age was 47.3 +/- 8.7 years and 25 were male. All journals were peer-reviewed, most having 2 or 3 reviewers for each manuscript. Of the journals, 92.6% accepted or rejected an article on the basis of the views of most reviewers and 52%, sometimes or always, used a statistician as a reviewer. Most of the editors believed that writing the first draft and designing the study are authorship criteria, and most of them believed that these 2 are stated in URMS. Seven journals (25.9%) never published advertisements. Among journals that sold advertisements, the most popular policy (85%) was the rejection of advertisements because they advertised harmful products. Out of 27 journals, 12 were accessible on the Internet, and 7 had independent websites. Of the editors, 81.5% thought that a website is useful for their journal. The average knowledge score of the editors was 6.5 +/- 7.5. None had a negative score, 33% scored zero, 45% obtained average scores and 22% obtained good scores. The results show that peer review is favored by all the editors studied, though it seems that journals do not follow clear-cut policies in this regard. Most of the editors, agreed with the statements of URMS to some extent and generally most have average to high knowledge of URMS.

Electrostatically Driven Guest Binding in a Self-Assembled Porous Network at the Liquid/Solid Interface.

PubMed

Iritani, Kohei; Ikeda, Motoki; Yang, Anna; Tahara, Kazukuni; Anzai, Masaru; Hirose, Keiji; De Feyter, Steven; Moore, Jeffrey S; Tobe, Yoshito

2018-05-29

We present here the construction of a self-assembled two-dimensional (2D) porous monolayer bearing a highly polar 2D space to study guest co-adsorption through electrostatic interactions at the liquid/solid interface. For this purpose, a dehydrobenzo[12]annulene (DBA) derivative, DBA-TeEG, having tetraethylene glycol (TeEG) groups at the end of the three alternating alkoxy chains connected by p-phenylene linkers was synthesized. As a reference host molecule, DBA-C10, having nonpolar C 10 alkyl chains at three alternating terminals, was employed. As guest molecules, hexagonal phenylene-ethynylene macrocycles (PEMs) attached by triethylene glycol (TEG) ester and hexyl ester groups, PEM-TEG and PEM-C6, respectively, at each vertex of the macrocyclic periphery were used. Scanning tunneling microscopy observations at the 1,2,4-trichlorobenzene/highly oriented pyrolytic graphite interface revealed that PEM-TEG was immobilized in the pores formed by DBA-TeEG at higher probability because of electrostatic interactions such as dipole-dipole and hydrogen bonding interactions between oligoether units of the host and guest, in comparison to PEM-C6 with nonpolar groups. These observations are discussed based on molecular mechanics simulations to investigate the role of the polar functional groups. When a nonpolar host matrix formed by DBA-C10 was used, however, only phase separation and preferential adsorption were observed; virtually no host-guest complexation was discernible. This is ascribed to the strong affinity between the guest molecules which form by themselves densely packed van der Waals networks on the surface.

A Statistical Analysis of the PPII Propensity of Amino Acid Guests in Proline-Rich Peptides

PubMed Central

Moradi, Mahmoud; Babin, Volodymyr; Sagui, Celeste; Roland, Christopher

2011-01-01

There has been considerable debate about the intrinsic PPII propensity of amino-acid residues in denatured polypeptides. Experimentally, the propensity scale is based on the behavior of guest amino-acid residues placed in the middle of polyproline hosts. We have used classical molecular dynamics simulations, with state-of-the-art force fields to carry out a comprehensive analysis of the conformational equilibria of the proline-based host oligopeptides with single guests. The tracked structural characteristics include the PPII content, the cis/trans isomerization of the prolyl bonds, the puckering of the pyrrolidine rings of the proline residues, and the secondary structural motifs. We find no evidence for an intrinsic PPII propensity in any of the guest amino acids other than proline. Instead, the PPII content as derived from experiments may be explained in terms of: 1), a local correlation between the dihedral angles of the guest amino acid and the proline residue immediately preceding it; and 2), a nonlocal correlation between the cis/trans states of the peptide bonds. In terms of the latter, we find that the presence of a guest (other than proline, tyrosine, or tryptophan) increases the trans content of most of the prolyl bonds, which results in an effective increase of the peptide PPII content. With respect to the local dihedral correlations, we find that these are well described in terms of the so-called odds-ratio statistic. Expressed in terms of free energy language, the PPII content based on the odds-ratio of the relevant residues correlate well with the experimentally measured PPII content. PMID:21320454

How is research publishing going to progress in the next 20 years?: transcription of session for editors, associate editors, publishers and others with an interest in scientific publishing held at IADR meeting in Seattle on Wednesday, 20 March 2013.

PubMed

Eaton, Kenneth A; Rex Holland, G; Giannobile, William V; Hancocks, Stephen; Robinson, Peter G; Lynch, Christopher D

2014-03-01

On March 20th 2013, a one-hour session for Editors, Associate Editors, Publishers and others with an interest in scientific publishing was held at the IADR International Session in Seattle. Organised by Kenneth Eaton and Christopher Lynch (Chair and Secretary, respectively, of the British Dental Editors Forum), the meeting sought to bring together leading international experts in dental publishing, as well as authors, reviewers and students engaged in research. The meeting was an overwhelming success, with more than 100 attendees. A panel involving four leading dental editors led a discussion on anticipated developments in publishing dental research with much involvement and contribution from audience members. This was the third such meeting held at the IADR for Editors, Associate Editors, Publishers and others with an interest in scientific publishing. A follow-up session will take place in Cape Town on 25 June 2014 as part of the annual IADR meeting. The transcript of the Seattle meeting is reproduced in this article. Where possible speakers are identified by name. At the first time of mention their role/position is also stated, thereafter only their name appears. We are grateful to Stephen Hancocks Ltd. for their generous sponsorship of this event. For those who were not able to attend the authors hope this article gives a flavour of the discussions and will encourage colleagues to attend future events. Involvement is open to Editors, Associate Editors, Publishers and others with an interest in scientific publishing. It is a very open group and all those with an interest will be welcome to join in. Copyright © 2014 Elsevier Ltd. All rights reserved.

Guest Molecule Exchange Kinetics for the 2012 Ignik Sikumi Gas Hydrate Field Trial

DOE Office of Scientific and Technical Information (OSTI.GOV)

White, Mark D.; Lee, Won Suk

A commercially viable technology for producing methane from natural gas hydrate reservoirs remains elusive. Short-term depressurization field tests have demonstrated the potential for producing natural gas via dissociation of the clathrate structure, but the long-term performance of the depressurization technology ultimately requires a heat source to sustain the dissociation. A decade of laboratory experiments and theoretical studies have demonstrated the exchange of pure CO2 and N2-CO2 mixtures with CH4 in sI gas hydrates, yielding critical information about molecular mechanisms, recoveries, and exchange kinetics. Findings indicated the potential for producing natural gas with little to no production of water and rapidmore » exchange kinetics, generating sufficient interest in the guest-molecule exchange technology for a field test. In 2012 the U.S. DOE/NETL, ConocoPhillips Company, and Japan Oil, Gas and Metals National Corporation jointly sponsored the first field trial of injecting a mixture of N2-CO2 into a CH4-hydrate bearing formation beneath the permafrost on the Alaska North Slope. Known as the Ignik Sikumi #1 Gas Hydrate Field Trial, this experiment involved three stages: 1) the injection of a N2-CO2 mixture into a targeted hydrate-bearing layer, 2) a 4-day pressurized soaking period, and 3) a sustained depressurization and fluid production period. Data collected during the three stages of the field trial were made available after an extensive quality check. These data included continuous temperature and pressure logs, injected and recovered fluid compositions and volumes. The Ignik Sikumi #1 data set is extensive, but contains no direct evidence of the guest-molecule exchange process. This investigation is directed at using numerical simulation to provide an interpretation of the collected data. A numerical simulator, STOMP-HYDT-KE, was recently completed that solves conservation equations for energy, water, mobile fluid guest molecules, and hydrate guest molecules, for up to three gas hydrate guest molecules: CH4, CO2, and N2. The independent tracking of mobile fluid and hydrate guest molecules allows for the kinetic exchange of guest molecules between the mobile fluids and hydrate. The particular interest of this numerical investigation is to determine whether kinetic exchange parameters, determined from laboratory-scale experiments, are directly applicable to interpreting the Ignik Sikumi #1 data.« less

Potential Financial Conflict of Interest Among Physician Editorial Board Members of Orthopaedic Surgery Journals.

PubMed

Mehlman, Charles T; Okike, Kanu; Bhandari, Mohit; Kocher, Mininder S

2017-03-01

The practice of medicine is based on evidence from peer-reviewed literature. As can occur with author-related funding, the integrity of the process by which manuscripts are reviewed, edited, and approved for publication may be at risk due to financial conflict of interest. The purpose of our study was to assess potential financial conflict of interest among physician editorial board members of orthopaedic surgery journals. We identified the physician editorial board members of 15 orthopaedic surgery journals and searched the 2014 payments that were archived in the Centers for Medicare & Medicaid Services Open Payments system (mandated by the Physician Payments Sunshine Act). Total dollar values were calculated and tabulated in a multilevel fashion: nothing reported, >$0 and ≤$10,000, >$10,000, >$250,000, and >$950,000. We identified 908 physician editors of 15 orthopaedic surgery journals. Something of financial value was received by 78% (712 of 908) of these individuals. Rates of editorial board potential financial conflict of interest for individual journals ranged from 4% to 73% in the >$10,000 category. At the >$250,000 mark, rates ranged from 0% (2 journals) to 31%. When applying the >$950,000 criterion, physician potential conflict of interest ranged from 0% (5 journals) to 13%. Editor-related potential financial conflicts of interest exist in the orthopaedic surgery journals that we analyzed. These potential financial conflicts could possibly impact reviews.

Epigenetic editing of the Dlg4/PSD95 gene improves cognition in aged and Alzheimer's disease mice.

PubMed

Bustos, Fernando J; Ampuero, Estibaliz; Jury, Nur; Aguilar, Rodrigo; Falahi, Fahimeh; Toledo, Jorge; Ahumada, Juan; Lata, Jaclyn; Cubillos, Paula; Henríquez, Berta; Guerra, Miguel V; Stehberg, Jimmy; Neve, Rachael L; Inestrosa, Nibaldo C; Wyneken, Ursula; Fuenzalida, Marco; Härtel, Steffen; Sena-Esteves, Miguel; Varela-Nallar, Lorena; Rots, Marianne G; Montecino, Martin; van Zundert, Brigitte

2017-12-01

The Dlg4 gene encodes for post-synaptic density protein 95 (PSD95), a major synaptic protein that clusters glutamate receptors and is critical for plasticity. PSD95 levels are diminished in ageing and neurodegenerative disorders, including Alzheimer's disease and Huntington's disease. The epigenetic mechanisms that (dys)regulate transcription of Dlg4/PSD95, or other plasticity genes, are largely unknown, limiting the development of targeted epigenome therapy. We analysed the Dlg4/PSD95 epigenetic landscape in hippocampal tissue and designed a Dlg4/PSD95 gene-targeting strategy: a Dlg4/PSD95 zinc finger DNA-binding domain was engineered and fused to effector domains to either repress (G9a, Suvdel76, SKD) or activate (VP64) transcription, generating artificial transcription factors or epigenetic editors (methylating H3K9). These epi-editors altered critical histone marks and subsequently Dlg4/PSD95 expression, which, importantly, impacted several hippocampal neuron plasticity processes. Intriguingly, transduction of the artificial transcription factor PSD95-VP64 rescued memory deficits in aged and Alzheimer's disease mice. Conclusively, this work validates PSD95 as a key player in memory and establishes epigenetic editing as a potential therapy to treat human neurological disorders. © The Author (2017). Published by Oxford University Press on behalf of the Guarantors of Brain. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

From scientist to editor

NASA Astrophysics Data System (ADS)

Novoselov, Kostya S.; Pulizzi, Fabio

2018-06-01

Kostya S. Novoselov, professor of physics at the University of Manchester, UK, has been digging into the details of the life of an editor by asking Fabio Pulizzi, Chief Editor of Nature Nanotechnology, some inside information on his work.

2018 NASA Day of Remembrance

NASA Image and Video Library

2018-01-25

Inside the Center for Space Education at the Kennedy Space Center Visitor Complex, spaceport employees and guests join others throughout NASA for the Day of Remembrance ceremony, honoring the contributions of astronauts who have perished in the conquest of space. Following the ceremony, guests walk to the Space Mirror Memorial. The names of fallen astronauts from Apollo 1, Challenger and Columbia, as well as the astronauts who perished in training and commercial airplane accidents are emblazoned on the monument. Each year spaceport employees and guests join others throughout NASA honoring the contributions of astronauts who have perished in the conquest of space.

Foale examines fresh fruit brought to Mir by the STS-86 crew

NASA Image and Video Library

1997-09-27

S86-E-5299 (27 Sept. 1997) --- Astronaut C. Michael Foale, cosmonaut guest researcher, shows his pleasure over a package of fresh fruit brought aboard Russia?s Mir Space Station by the STS-86 crew aboard the space shuttle Atlantis. This photograph captures Foale in his last hours as a cosmonaut guest researcher aboard Mir. Astronaut David A. Wolf, mission specialist, will replace Foale onboard the Mir, as cosmonaut guest researcher. This photograph was taken with the Electronic Still Camera (ESC) at 23:11:26 GMT on Sept. 27, 1997. Photo credit: NASA

Guest-Release Control in Enzyme-Sensitive, Amphiphilic-Dendrimer-Based Nanoparticles through Photochemical Crosslinking

PubMed Central

Raghupathi, Krishna R.; Azagarsamy, Malar A.; Thayumanavan, S.

2012-01-01

Stimuli sensitive, facially amphiphilic dendrimers have been synthesized and their enzyme-responsive nature has been determined with dual fluorescence responses of both covalently conjugated and non-covalently bound reporter units. These dual responses are correlated to ascertain the effect of enzymatic action on micellar aggregates and the consequential guest release. The release of the guest molecule is conveniently tuned by stabilizing the micellar aggregates through photochemical crosslinking of hydrophobic coumarin units. This photo-crosslinking is also utilized as a tool to investigate the mode of enzyme-substrate interaction in the context of aggregate-monomer equilibrium. PMID:21887830

Ab initio design of drug carriers for zoledronate guest molecule using phosphonated and sulfonated calix[4]arene and calix[4]resorcinarene host molecules

NASA Astrophysics Data System (ADS)

Jang, Yong-Man; Yu, Chol-Jun; Kim, Jin-Song; Kim, Song-Un

2018-04-01

Monomolecular drug carriers based on calix[n]-arenes and -resorcinarenes containing the interior cavity can enhance the affinity and specificity of the osteoporosis inhibitor drug zoledronate (ZOD). In this work we investigate the suitability of nine different calix[4]-arenes and -resorcinarenes based macrocycles as hosts for the ZOD guest molecule by conducting {\\it ab initio} density functional theory calculations for structures and energetics of eighteen different host-guest complexes. For the optimized molecular structures of the free, phosphonated, sulfonated calix[4]-arenes and -resorcinarenes, the geometric sizes of their interior cavities are measured and compared with those of the host-guest complexes in order to check the appropriateness for host-guest complex formation. Our calculations of binding energies indicate that in gaseous states some of the complexes might be unstable but in aqueous states almost all of the complexes can be formed spontaneously. Of the two different docking ways, the insertion of ZOD with the \\ce{P-C-P} branch into the cavity of host is easier than that with the nitrogen containing heterocycle of ZOD. The work will open a way for developing effective drug delivering systems for the ZOD drug and promote experimentalists to synthesize them.

Computer-science guest-lecture series at Langston University sponsored by the U.S. Geological Survey; abstracts, 1992-93

USGS Publications Warehouse

Steele, K. S.

1994-01-01

Langston University, a Historically Black University located at Langston, Oklahoma, has a computing and information science program within the Langston University Division of Business. Since 1984, Langston University has participated in the Historically Black College and University program of the U.S. Department of Interior, which provided education, training, and funding through a combined earth-science and computer-technology cooperative program with the U.S. Geological Survey (USGS). USGS personnel have presented guest lectures at Langston University since 1984. Students have been enthusiastic about the lectures, and as a result of this program, 13 Langston University students have been hired by the USGS on a part-time basis while they continued their education at the University. The USGS expanded the offering of guest lectures in 1992 by increasing the number of visits to Langston University, and by inviting participation of speakers from throughout the country. The objectives of the guest-lecture series are to assist Langston University in offering state-of-the-art education in the computer sciences, to provide students with an opportunity to learn from and interact with skilled computer-science professionals, and to develop a pool of potential future employees for part-time and full-time employment. This report includes abstracts for guest-lecture presentations during 1992-93 school year.

KSC-2011-3327

NASA Image and Video Library

2011-05-05

CAPE CANAVERAL, Fla. -- Invited guests enjoy a tribute to astronaut Alan Shepard during a celebration at Complex 5/6 on Cape Canaveral Air Force Station in Florida. The celebration was held at the launch site of the first U.S. manned spaceflight May 5, 1961, to mark the 50th anniversary of the flight. Fifty years ago, astronaut Alan Shepard lifted off inside the Mercury capsule, "Freedom 7," atop an 82-foot-tall Mercury-Redstone rocket at 9:34 a.m. EST, sending him on a remarkably successful, 15-minute suborbital flight. The event was attended by more than 200 workers from the original Mercury program and included a re-creation of Shepard's flight and recovery, as well as a tribute to his contributions as a moonwalker on the Apollo 14 lunar mission. For more information, visit www.nasa.gov/topics/history/milestones/index.html. Photo credit: NASA/Kim Shiflett

Pulaski Award Ceremony

NASA Image and Video Library

2017-11-01

From left, Jon Wallace, deputy fire coordinator, U.S. Fish and Wildlife Service Southeast Region, Atlanta, Georgia; Chris Wilcox, U.S. Fish and Wildlife chief, Fire Management, National Interagency Fire Center, Boise, Idaho; and Mark Schollmeyer, chief, Brevard County Fire Rescue, pose for a portrait following a ceremony Nov. 1 on the Merritt Island National Wildlife Refuge in Florida. During the joint ceremony, the Spaceport Integration Team and its partners were presented with the prestigious 2017 Pulaski Award and a new memorial marker was dedicated. The multi-agency team includes representatives from NASA's Kennedy Space Center, Cape Canaveral Air Force Station's 45th Space Wing, the Merritt Island National Wildlife Refuge, as well as the Florida Forest Service and Brevard County Fire Rescue. The memorial marker honors two fallen firefighters, Scott Maness and Beau Sauselein, who died fighting a wildfire on space center property in 1981. Held outdoors, the ceremony was attended by 140 guests.

Pulaski Award Ceremony

NASA Image and Video Library

2017-11-01

From left, Col. Z. Walter Jackim, vice commander, 45th Space Wing, Cape Canaveral Air Force Station; Michael Good, assistant fire management officer, Merritt Island National Wildlife Refuge; John Fish, chief, Florida Forest Service; Mark Schollmeyer, chief, Brevard County Fire Rescue; and Kelvin Manning, associate director, NASA's Kennedy Space Center, pose for a portrait following a ceremony Nov. 1 on the Merritt Island National Wildlife Refuge in Florida. During the joint ceremony, the Spaceport Integration Team and its partners were presented with the prestigious 2017 Pulaski Award and a new memorial marker was dedicated. The multi-agency team includes representatives from NASA's Kennedy Space Center, Cape Canaveral Air Force Station's 45th Space Wing, the Merritt Island National Wildlife Refuge, as well as the Florida Forest Service and Brevard County Fire Rescue. The memorial marker honors two fallen firefighters, Scott Maness and Beau Sauselein, who died fighting a wildfire on space center property in 1981. Held outdoors, the ceremony was attended by 140 guests.

Guest-Induced Switchable Breathing Behavior in a Flexible Metal-Organic Framework with Pronounced Negative Gas Pressure.

PubMed

Shi, Yi-Xiang; Li, Wu-Xiang; Zhang, Wen-Hua; Lang, Jian-Ping

2018-06-29

Flexible metal-organic frameworks (MOFs) have attracted great interest for their dynamically structural transformability in response to external stimuli. Herein, we report a switchable "breathing" or "gate-opening" behavior associated with the phase transformation between a narrow pore (np) and a large pore (lp) in a flexible pillared-layered MOF, denoted as MOF-1 as, which is also confirmed by SCXRD and PXRD. The desolvated phase (MOF-1 des) features a unique stepwise adsorption isotherm for N 2 coupled with a pronounced negative gas adsorption pressure. For comparison, however, no appreciable CO 2 adsorption and gate-opening phenomenon with stepwise sorption can be observed. Furthermore, the polar micropore walls decorated with thiophene groups in MOF-1 des reveals the selective sorption of toluene over benzene and p-xylene associated with self-structural adjustment in spite of the markedly similar physicochemical properties of these vapor molecules.

Burke new Tectonics editor

NASA Astrophysics Data System (ADS)

Kevin C. Burke, National Academy of Sciences/ National Research Council (NAS/NRC), assumed responsibilities as Editor in Chief of the American Geophysical Union (AGU) journal Tectonics at the beginning of 1990, taking over from Raymond A. Price, Queens University, Kingston, Ontario. Asger Berthelsen, University of Copenhagen, Denmark, continues as the European Editor, and Paul F. Hoffman, Geological Society of Canada, assumes the task of North American Editor. Tectonics is a joint publication of AGU and the European Geophysical Society.

Preparation of an anionic azo pigment-pillared layered double hydroxide and the thermo- and photostability of the resulting intercalated material

NASA Astrophysics Data System (ADS)

Guo, Shengchang; Li, Dianqing; Zhang, Weifeng; Pu, Min; Evans, David G.; Duan, Xue

2004-12-01

A large anionic pigment has been intercalated into a layered double hydroxide (LDH) host by ion-exchange of an Mg/Al LDH-nitrate precursor with a solution of C.I. Pigment Red 48:2 (the calcium salt of 4-((5-chloro-4-methyl-2-sulfophenyl)azo)-3-hydroxy-2-naphthalene-carboxylic acid), in ethane-1,2-diol. After intercalation of the pigment, the interlayer distance in the LDH increases from 0.86 to 1.72 nm. Infrared spectra and TG-DTA curves reveal the presence of a complex system of supramolecular host-guest interactions. The UV-visible diffuse reflectance spectra of C.I. Pigment Red 48:2 show marked changes after heating at 200 °C and above, whereas there are no significant changes in the spectra of the intercalated pigment after heating at temperatures up to 300 °C, showing that the thermostability is markedly enhanced by intercalation in the LDH host. The pigment-intercalated LDHs exhibits much higher photostability to UV light than the pristine pigment, in the case of both the pure solids and their composites with polypropylene, as shown by measurement of CIE 1976 L*a*b* color difference ( ΔE) values.

Louisa May Alcott's Orchard House

Science.gov Websites

and Her Father! Buy the book from Orchard House Read more about John Matteson's award here Louisa May comments about this site, click to use our Online Guest Book All archival photographs © Louisa May Online Guest Book

Emotions under discussion: gender, status and communication in online collaboration.

PubMed

Iosub, Daniela; Laniado, David; Castillo, Carlos; Fuster Morell, Mayo; Kaltenbrunner, Andreas

2014-01-01

Despite the undisputed role of emotions in teamwork, not much is known about the make-up of emotions in online collaboration. Publicly available repositories of collaboration data, such as Wikipedia editor discussions, now enable the large-scale study of affect and dialogue in peer production. We investigate the established Wikipedia community and focus on how emotion and dialogue differ depending on the status, gender, and the communication network of the [Formula: see text] editors who have written at least 100 comments on the English Wikipedia's article talk pages. Emotions are quantified using a word-based approach comparing the results of two predefined lexicon-based methods: LIWC and SentiStrength. We find that administrators maintain a rather neutral, impersonal tone, while regular editors are more emotional and relationship-oriented, that is, they use language to form and maintain connections to other editors. A persistent gender difference is that female contributors communicate in a manner that promotes social affiliation and emotional connection more than male editors, irrespective of their status in the community. Female regular editors are the most relationship-oriented, whereas male administrators are the least relationship-focused. Finally, emotional and linguistic homophily is prevalent: editors tend to interact with other editors having similar emotional styles (e.g., editors expressing more anger connect more with one another). Emotional expression and linguistic style in online collaboration differ substantially depending on the contributors' gender and status, and on the communication network. This should be taken into account when analyzing collaborative success, and may prove insightful to communities facing gender gap and stagnation in contributor acquisition and participation levels.

Contrasting guest binding interaction of cucurbit[7-8]urils with neutral red dye: controlled exchange of multiple guests.

PubMed

Shaikh, Mhejabeen; Choudhury, Sharmistha Dutta; Mohanty, Jyotirmayee; Bhasikuttan, Achikanath C; Pal, Haridas

2010-07-14

Interactions among macrocyclic hosts and dyes/drugs have been explored extensively for their direct usage in controlled uptake and release of large number of potential drug molecules. In this paper we report the non-covalent interaction of cucurbit[8]uril macrocycle (CB8) with a biologically important dye, neutral red, by absorption and fluorescence spectroscopy. A comparative analysis with the complexation behaviour of the dye with CB7, the lower homologue of CB8, indicates contrasting guest binding behaviour with significant changes in the photophysical characteristics of the dye. While CB7 interaction leads to a 1 ratio 1 stoichiometry resulting in approximately 6 fold enhancement in the fluorescence emission of the dye, CB8 displays signatures for a 1 ratio 2 host-guest stoichiometry with drastic reduction in the fluorescence emission. Apart from the evaluation of approximately 2 unit shift in the protolytic equilibrium on complexation (pK(a) shift), the measurements with tryptophan established a selective guest exchange to favour a co-localized dimer inside the CB8 cavity. In a protein medium (BSA), the 1 ratio 2 complex was converted to a 1 ratio 1 ratio 1 CB8-NRH(+)-BSA complex. The finding that NRH(+) can be transferred from CB8 to BSA, even though the binding constant for NRH(+)-CB8 is much higher than NRH(+)-BSA, is projected for a controlled slow release of NRH(+) towards BSA. Since the release and activity of drugs can be controlled by regulating the protolytic equilibrium, the macromolecular encapsulation and release of NRH(+) demonstrated here provide information relevant to host-guest based drug delivery systems and its applications.

Understanding decomposition and encapsulation energies of structure I and II clathrate hydrates

NASA Astrophysics Data System (ADS)

Alavi, Saman; Ohmura, Ryo

2016-10-01

When compressed with water or ice under high pressure and low temperature conditions, some gases form solid gas hydrate inclusion compounds which have higher melting points than ice under those pressures. In this work, we study the balance of the guest-water and water-water interaction energies that lead to the formation of the clathrate hydrate phases. In particular, molecular dynamics simulations with accurate water potentials are used to study the energetics of the formation of structure I (sI) and II (sII) clathrate hydrates of methane, ethane, and propane. The dissociation enthalpy of the clathrate hydrate phases, the encapsulation enthalpy of methane, ethane, and propane guests in the corresponding phases, and the average bonding enthalpy of water molecules are calculated and compared with accurate calorimetric measurements and previous classical and quantum mechanical calculations, when available. The encapsulation energies of methane, ethane, and propane guests stabilize the small and large sI and sII hydrate cages, with the larger molecules giving larger encapsulation energies. The average water-water interactions are weakened in the sI and sII phases compared to ice. The relative magnitudes of the van der Waals potential energy in ice and the hydrate phases are similar, but in the ice phase, the electrostatic interactions are stronger. The stabilizing guest-water "hydrophobic" interactions compensate for the weaker water-water interactions and stabilize the hydrate phases. A number of common assumptions regarding the guest-cage water interactions are used in the van der Waals-Platteeuw statistical mechanical theory to predict the clathrate hydrate phase stability under different pressure-temperature conditions. The present calculations show that some of these assumptions may not accurately reflect the physical nature of the interactions between guest molecules and the lattice waters.

A statistical analysis of the PPII propensity of amino acid guests in proline-rich peptides.

PubMed

Moradi, Mahmoud; Babin, Volodymyr; Sagui, Celeste; Roland, Christopher

2011-02-16

There has been considerable debate about the intrinsic PPII propensity of amino-acid residues in denatured polypeptides. Experimentally, the propensity scale is based on the behavior of guest amino-acid residues placed in the middle of polyproline hosts. We have used classical molecular dynamics simulations, with state-of-the-art force fields to carry out a comprehensive analysis of the conformational equilibria of the proline-based host oligopeptides with single guests. The tracked structural characteristics include the PPII content, the cis/trans isomerization of the prolyl bonds, the puckering of the pyrrolidine rings of the proline residues, and the secondary structural motifs. We find no evidence for an intrinsic PPII propensity in any of the guest amino acids other than proline. Instead, the PPII content as derived from experiments may be explained in terms of: 1), a local correlation between the dihedral angles of the guest amino acid and the proline residue immediately preceding it; and 2), a nonlocal correlation between the cis/trans states of the peptide bonds. In terms of the latter, we find that the presence of a guest (other than proline, tyrosine, or tryptophan) increases the trans content of most of the prolyl bonds, which results in an effective increase of the peptide PPII content. With respect to the local dihedral correlations, we find that these are well described in terms of the so-called odds-ratio statistic. Expressed in terms of free energy language, the PPII content based on the odds-ratio of the relevant residues correlate well with the experimentally measured PPII content. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Understanding decomposition and encapsulation energies of structure I and II clathrate hydrates.

PubMed

Alavi, Saman; Ohmura, Ryo

2016-10-21

When compressed with water or ice under high pressure and low temperature conditions, some gases form solid gas hydrate inclusion compounds which have higher melting points than ice under those pressures. In this work, we study the balance of the guest-water and water-water interaction energies that lead to the formation of the clathrate hydrate phases. In particular, molecular dynamics simulations with accurate water potentials are used to study the energetics of the formation of structure I (sI) and II (sII) clathrate hydrates of methane, ethane, and propane. The dissociation enthalpy of the clathrate hydrate phases, the encapsulation enthalpy of methane, ethane, and propane guests in the corresponding phases, and the average bonding enthalpy of water molecules are calculated and compared with accurate calorimetric measurements and previous classical and quantum mechanical calculations, when available. The encapsulation energies of methane, ethane, and propane guests stabilize the small and large sI and sII hydrate cages, with the larger molecules giving larger encapsulation energies. The average water-water interactions are weakened in the sI and sII phases compared to ice. The relative magnitudes of the van der Waals potential energy in ice and the hydrate phases are similar, but in the ice phase, the electrostatic interactions are stronger. The stabilizing guest-water "hydrophobic" interactions compensate for the weaker water-water interactions and stabilize the hydrate phases. A number of common assumptions regarding the guest-cage water interactions are used in the van der Waals-Platteeuw statistical mechanical theory to predict the clathrate hydrate phase stability under different pressure-temperature conditions. The present calculations show that some of these assumptions may not accurately reflect the physical nature of the interactions between guest molecules and the lattice waters.

Microbial properties database editor tutorial

USDA-ARS?s Scientific Manuscript database

A Microbial Properties Database Editor (MPDBE) has been developed to help consolidate microbialrelevant data to populate a microbial database and support a database editor by which an authorized user can modify physico-microbial properties related to microbial indicators and pathogens. Physical prop...

Microbial Properties Database Editor Tutorial

EPA Science Inventory

A Microbial Properties Database Editor (MPDBE) has been developed to help consolidate microbial-relevant data to populate a microbial database and support a database editor by which an authorized user can modify physico-microbial properties related to microbial indicators and pat...

Meet the Editors: JGR-Atmospheres

NASA Astrophysics Data System (ADS)

Kumar, Mohi

2006-04-01

Three scientists were newly appointed and one scientist was reappointed last year as editors of JGR-Atmospheres. The three new editors, John Austin, Jose D. Fuentes, and Ruth Lieberman, along with returning editor Colin O'Dowd, would like to see several changes made to the journal. ``JGR-Atmospheres is still regarded as the highest-quality atmospheric science journal, having perhaps one of the most stringent and rigorous review processes,'' said O'Dowd. ``However, there is still room for improvement.''

[The Chilean Association of Biomedical Journal Editors].

PubMed

Reyes, H

2001-01-01

On September 29th, 2000, The Chilean Association of Biomedical Journal Editors was founded, sponsored by the "Comisión Nacional de Investigación Científica y Tecnológica (CONICYT)" (the Governmental Agency promoting and funding scientific research and technological development in Chile) and the "Sociedad Médica de Santiago" (Chilean Society of Internal Medicine). The Association adopted the goals of the World Association of Medical Editors (WAME) and therefore it will foster "cooperation and communication among Editors of Chilean biomedical journals; to improve editorial standards, to promote professionalism in medical editing through education, self-criticism and self-regulation; and to encourage research on the principles and practice of medical editing". Twenty nine journals covering a closely similar number of different biomedical sciences, medical specialties, veterinary, dentistry and nursing, became Founding Members of the Association. A Governing Board was elected: President: Humberto Reyes, M.D. (Editor, Revista Médica de Chile); Vice-President: Mariano del Sol, M.D. (Editor, Revista Chilena de Anatomía); Secretary: Anna María Prat (CONICYT); Councilors: Manuel Krauskopff, Ph.D. (Editor, Biological Research) and Maritza Rahal, M.D. (Editor, Revista de Otorrinolaringología y Cirugía de Cabeza y Cuello). The Association will organize a Symposium on Biomedical Journal Editing and will spread information stimulating Chilean biomedical journals to become indexed in international databases and in SciELO-Chile, the main Chilean scientific website (www.scielo.cl).

A scoping review of competencies for scientific editors of biomedical journals.

PubMed

Galipeau, James; Barbour, Virginia; Baskin, Patricia; Bell-Syer, Sally; Cobey, Kelly; Cumpston, Miranda; Deeks, Jon; Garner, Paul; MacLehose, Harriet; Shamseer, Larissa; Straus, Sharon; Tugwell, Peter; Wager, Elizabeth; Winker, Margaret; Moher, David

2016-02-02

Biomedical journals are the main route for disseminating the results of health-related research. Despite this, their editors operate largely without formal training or certification. To our knowledge, no body of literature systematically identifying core competencies for scientific editors of biomedical journals exists. Therefore, we aimed to conduct a scoping review to determine what is known on the competency requirements for scientific editors of biomedical journals. We searched the MEDLINE®, Cochrane Library, Embase®, CINAHL, PsycINFO, and ERIC databases (from inception to November 2014) and conducted a grey literature search for research and non-research articles with competency-related statements (i.e. competencies, knowledge, skills, behaviors, and tasks) pertaining to the role of scientific editors of peer-reviewed health-related journals. We also conducted an environmental scan, searched the results of a previous environmental scan, and searched the websites of existing networks, major biomedical journal publishers, and organizations that offer resources for editors. A total of 225 full-text publications were included, 25 of which were research articles. We extracted a total of 1,566 statements possibly related to core competencies for scientific editors of biomedical journals from these publications. We then collated overlapping or duplicate statements which produced a list of 203 unique statements. Finally, we grouped these statements into seven emergent themes: (1) dealing with authors, (2) dealing with peer reviewers, (3) journal publishing, (4) journal promotion, (5) editing, (6) ethics and integrity, and (7) qualities and characteristics of editors. To our knowledge, this scoping review is the first attempt to systematically identify possible competencies of editors. Limitations are that (1) we may not have captured all aspects of a biomedical editor's work in our searches, (2) removing redundant and overlapping items may have led to the elimination of some nuances between items, (3) restricting to certain databases, and only French and English publications, may have excluded relevant publications, and (4) some statements may not necessarily be competencies. This scoping review is the first step of a program to develop a minimum set of core competencies for scientific editors of biomedical journals which will be followed by a training needs assessment, a Delphi exercise, and a consensus meeting.

Observation of interstitial molecular hydrogen in clathrate hydrates.

PubMed

Grim, R Gary; Barnes, Brian C; Lafond, Patrick G; Kockelmann, Winfred A; Keen, David A; Soper, Alan K; Hiratsuka, Masaki; Yasuoka, Kenji; Koh, Carolyn A; Sum, Amadeu K

2014-09-26

The current knowledge and description of guest molecules within clathrate hydrates only accounts for occupancy within regular polyhedral water cages. Experimental measurements and simulations, examining the tert-butylamine + H2 + H2O hydrate system, now suggest that H2 can also be incorporated within hydrate crystal structures by occupying interstitial sites, that is, locations other than the interior of regular polyhedral water cages. Specifically, H2 is found within the shared heptagonal faces of the large (4(3)5(9)6(2)7(3)) cage and in cavities formed from the disruption of smaller (4(4)5(4)) water cages. The ability of H2 to occupy these interstitial sites and fluctuate position in the crystal lattice demonstrates the dynamic behavior of H2 in solids and reveals new insight into guest-guest and guest-host interactions in clathrate hydrates, with potential implications in increasing overall energy storage properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Carbohydrate-Based Host-Guest Complexation of Hydrophobic Antibiotics for the Enhancement of Antibacterial Activity.

PubMed

Jeong, Daham; Joo, Sang-Woo; Shinde, Vijay Vilas; Cho, Eunae; Jung, Seunho

2017-08-08

Host-guest complexation with various hydrophobic drugs has been used to enhance the solubility, permeability, and stability of guest drugs. Physical changes in hydrophobic drugs by complexation have been related to corresponding increases in the bioavailability of these drugs. Carbohydrates, including various derivatives of cyclodextrins, cyclosophoraoses, and some linear oligosaccharides, are generally used as host complexation agents in drug delivery systems. Many antibiotics with low bioavailability have some limitations to their clinical use due to their intrinsically poor aqueous solubility. Bioavailability enhancement is therefore an important step to achieve the desired concentration of antibiotics in the treatment of bacterial infections. Antibiotics encapsulated in a complexation-based drug delivery system will display improved antibacterial activity making it possible to reduce dosages and overcome the serious global problem of antibiotic resistance. Here, we review the present research trends in carbohydrate-based host-guest complexation of various hydrophobic antibiotics as an efficient delivery system to improve solubility, permeability, stability, and controlled release.

Deformation of porous molecular networks induced by the exchange of guests in single crystals.

PubMed

Saied, Okba; Maris, Thierry; Wuest, James D

2003-12-10

A strategy for making molecular networks that are porous and deformable is revealed by the behavior of compound 1, in which groups that form hydrogen bonds are attached to a nominally tetrahedral Si core. Compound 1 crystallizes from various carboxylic acids to produce a porous hydrogen-bonded diamondoid network, with up to 65% of the volume available for including guests. Changing the guests expands or contracts the network up to 30% in one direction, and single crystals can accommodate these exchange-induced deformations without loss of crystallinity. This resilience appears to result in part from the incorporation of flexible Si nodes in an otherwise robust network maintained by multiple hydrogen bonds. In certain cases, exchange is faster than deformation of the network, allowing the isolation of metastable structures with a new guest included in an otherwise unchanged network. Such processes can provide new materials that would be difficult or impossible to obtain in other ways.

Force-field and quantum-mechanical binding study of selected SAMPL3 host-guest complexes

NASA Astrophysics Data System (ADS)

Hamaguchi, Nobuko; Fusti-Molnar, Laszlo; Wlodek, Stanislaw

2012-05-01

A Merck molecular force field classical potential combined with Poisson-Boltzmann electrostatics (MMFF/PB) has been used to estimate the binding free energy of seven guest molecules (six tertiary amines and one primary amine) into a synthetic receptor (acyclic cucurbit[4]uril congener) and two benzimidazoles into cyclic cucurbit[7]uril (CB[7]) and cucurbit[8]uril (CB[8]) hosts. In addition, binding enthalpies for the benzimidazoles were calculated with density functional theory (DFT) using the B3LYP functional and a polarizable continuum model (PCM). Although in most cases the MMFF/PB approach returned reasonable agreements with the experiment (±2 kcal/mol), significant, much larger deviations were reported in the case of three host-guest pairs. All four binding enthalpy predictions with the DFT/PCM method suffered 70% or larger deviations from the calorimetry data. Results are discussed in terms of the molecular models used for guest-host complexation and the quality of the intermolecular potentials.

Hotel guest's $14.5 million jury verdict set aside on appeal.

PubMed

1999-08-20

A Missouri Court of Appeals judge reversed a $14.5 million judgement against [name removed] Inc., which had been held liable for the beating and sexual assault of a guest in its hotel. The guest, identified as [name removed], had requested an upgrade to a concierge room, to increase her safety, but the hotel did not fill her request. When [name removed] opened her hotel room door the next morning, an assailant attacked, beat and raped her. The assailant escaped hotel security, but was later apprehended. The initial case against [name removed] and the assailant resulted in a $22.5 million judgement for [name removed] Both parties appealed. [Name removed] prevailed in its argument that the initial trial judge misinstructed the jury, and that [name removed] was unable to show clear and convincing evidence that the hotel's willful or conscious disregard for guest safety caused the situation. However, the court ruled against [name removed] on the basis of [name removed]'s fear-of-AIDS claim, because of her exposure to the virus.

Paramagnetic NMR Investigation of Dendrimer-Based Host-Guest Interactions

PubMed Central

Wang, Fei; Shao, Naimin; Cheng, Yiyun

2013-01-01

In this study, the host-guest behavior of poly(amidoamine) (PAMAM) dendrimers bearing amine, hydroxyl, or carboxylate surface functionalities were investigated by paramagnetic NMR studies. 2,2,6,6-Tetramethylpiperidinyloxy (TEMPO) derivatives were used as paramagnetic guest molecules. The results showed that TEMPO-COOH significantly broaden the 1H NMR peaks of amine- and hydroxyl-terminated PAMAM dendrimers. In comparison, no paramagnetic relaxation enhancement (PRE) was observed between TEMPO-NH2, TEMPO-OH and the three types of PAMAM dendrimers. The PRE phenomenon observed is correlated with the encapsulation of TEMPO-COOH within dendrimer pockets. Protonation of the tertiary amine groups within PAMAM dendrimers plays an important role during this process. Interestingly, the absence of TEMPO-COOH encapsulation within carboxylate-terminated PAMAM dendrimer is observed due to the repulsion of TEMPO-COO- anion and anionic dendrimer surface. The combination of paramagnetic probes and 1H NMR linewidth analysis can be used as a powerful tool in the analysis of dendrimer-based host-guest systems. PMID:23762249

Development of Account Receivable and Payable System for Travel Bureau Company

NASA Astrophysics Data System (ADS)

Karma, I. G. M.; Susanti, J.

2018-01-01

Sales and purchases of products on credit made by travel bureau companies require serious handling because it involves a lot of money and many parties. This research aims to build information systems to handle account payables and receivables related to the purchase and sale of tour packages on credit. The methodology is object-oriented approach, by using MS. Visual Basic. Net as a programming language and MySQL as its database package. As the results are the Account Receivable information system that is used to handle accounts receivable on agents who have purchased a tour package on credit for the guests it sends, and the Account Payable information system that is used to handle company’s account payable to suppliers who provided products or services to guests who purchase tour packages. Both of these systems handle the interrelated matter of a particular guest. Therefore, if both systems are integrated with the reservation system will be able to provide income statement on the reservation of certain guests.

Tailored protein encapsulation into a DNA host using geometrically organized supramolecular interactions

PubMed Central

Sprengel, Andreas; Lill, Pascal; Stegemann, Pierre; Bravo-Rodriguez, Kenny; Schöneweiß, Elisa-C.; Merdanovic, Melisa; Gudnason, Daniel; Aznauryan, Mikayel; Gamrad, Lisa; Barcikowski, Stephan; Sanchez-Garcia, Elsa; Birkedal, Victoria; Gatsogiannis, Christos; Ehrmann, Michael; Saccà, Barbara

2017-01-01

The self-organizational properties of DNA have been used to realize synthetic hosts for protein encapsulation. However, current strategies of DNA–protein conjugation still limit true emulation of natural host–guest systems, whose formation relies on non-covalent bonds between geometrically matching interfaces. Here we report one of the largest DNA–protein complexes of semisynthetic origin held in place exclusively by spatially defined supramolecular interactions. Our approach is based on the decoration of the inner surface of a DNA origami hollow structure with multiple ligands converging to their corresponding binding sites on the protein surface with programmable symmetry and range-of-action. Our results demonstrate specific host–guest recognition in a 1:1 stoichiometry and selectivity for the guest whose size guarantees sufficient molecular diffusion preserving short intermolecular distances. DNA nanocontainers can be thus rationally designed to trap single guest molecules in their native form, mimicking natural strategies of molecular recognition and anticipating a new method of protein caging. PMID:28205515

Metal-organic frameworks for thermoelectric energy-conversion applications

DOE PAGES

Talin, Albert Alec; Jones, Reese E.; Hopkins, Patrick E.

2016-11-07

Motivated by low cost, low toxicity, mechanical flexibility, and conformability over complex shapes, organic semiconductors are currently being actively investigated as thermoelectric (TE) materials to replace the costly, brittle, and non-eco-friendly inorganic TEs for near-ambient-temperature applications. Metal–organic frameworks (MOFs) share many of the attractive features of organic polymers, including solution processability and low thermal conductivity. A potential advantage of MOFs and MOFs with guest molecules (Guest@MOFs) is their synthetic and structural versatility, which allows both the electronic and geometric structure to be tuned through the choice of metal, ligand, and guest molecules. This could solve the long-standing challenge of findingmore » stable, high-TE-performance n-type organic semiconductors, as well as promote high charge mobility via the long-range crystalline order inherent in these materials. In this paper, we review recent advances in the synthesis of MOF and Guest@MOF TEs and discuss how the Seebeck coefficient, electrical conductivity, and thermal conductivity could be tuned to further optimize TE performance.« less

Tailored protein encapsulation into a DNA host using geometrically organized supramolecular interactions

NASA Astrophysics Data System (ADS)

Sprengel, Andreas; Lill, Pascal; Stegemann, Pierre; Bravo-Rodriguez, Kenny; Schöneweiß, Elisa-C.; Merdanovic, Melisa; Gudnason, Daniel; Aznauryan, Mikayel; Gamrad, Lisa; Barcikowski, Stephan; Sanchez-Garcia, Elsa; Birkedal, Victoria; Gatsogiannis, Christos; Ehrmann, Michael; Saccà, Barbara

2017-02-01

The self-organizational properties of DNA have been used to realize synthetic hosts for protein encapsulation. However, current strategies of DNA-protein conjugation still limit true emulation of natural host-guest systems, whose formation relies on non-covalent bonds between geometrically matching interfaces. Here we report one of the largest DNA-protein complexes of semisynthetic origin held in place exclusively by spatially defined supramolecular interactions. Our approach is based on the decoration of the inner surface of a DNA origami hollow structure with multiple ligands converging to their corresponding binding sites on the protein surface with programmable symmetry and range-of-action. Our results demonstrate specific host-guest recognition in a 1:1 stoichiometry and selectivity for the guest whose size guarantees sufficient molecular diffusion preserving short intermolecular distances. DNA nanocontainers can be thus rationally designed to trap single guest molecules in their native form, mimicking natural strategies of molecular recognition and anticipating a new method of protein caging.

Temperature-regulated guest admission and release in microporous materials

DOE PAGES

Li, Gang; Shang, Jin; Gu, Qinfen; ...

2017-06-09

While it has long been known that some highly adsorbing microporous materials suddenly become inaccessible to guest molecules below certain temperatures, previous attempts to explain this phenomenon have failed. Here we show that this anomalous sorption behaviour is a temperature-regulated guest admission process, where the pore-keeping group’s thermal fluctuations are influenced by interactions with guest molecules. A physical model is presented to explain the atomic-level chemistry and structure of these thermally regulated micropores, which is crucial to systematic engineering of new functional materials such as tunable molecular sieves, gated membranes and controlled-release nanocontainers. The model was validated experimentally with Hmore » 2, N 2, Ar and CH 4 on three classes of microporous materials: trapdoor zeolites, supramolecular host calixarenes and metal-organic frameworks. We also demonstrate how temperature can be exploited to achieve appreciable hydrogen and methane storage in such materials without sustained pressure. Our findings also open new avenues for gas sensing and isotope separation.« less

Probing structural transition and guest dynamics of hydroquinone clathrates by temperature-dependent terahertz time-domain spectroscopy.

PubMed

Lee, Eui Su; Han, Kyu Won; Yoon, Ji-Ho; Jeon, Tae-In

2011-01-13

The structural transition from hydroquinone clathrates to crystalline α-form hydroquinone was observed up to the range of 3 THz frequency as a function of temperatures. We found that all three hydroquinone clathrates, CO(2)-, CH(4)-, and CO(2)/CH(4)-loaded hydroquinone clathrates, transform into the α-form hydroquinone at around 102 ± 7 °C. The resonance peak of the CO(2)-loaded hydroquinone clathrate at 2.15 THz decreases with increasing temperature, indicating that CO(2) guest molecules are readily released from the host framework prior to the structural transformation. This reveals that the hydroquinone clathrates may transform into the stable α-form hydroquinone via the metastable form of guest-free clathrate, which depends on guest molecules enclathrated in the cages of the host frameworks. A strong resonance of the α-form hydroquinone at 1.18 THz gradually shifts to the low frequency with increasing temperature and shifts back to the high frequency with decreasing temperature.

Ghost and guest authors: you can't always trust who you read.

PubMed

Schofferman, Jerome; Wetzel, F Todd; Bono, Christopher

2015-03-01

Clinicians and educators rely on the published medical information. They trust that original research and narrative or systematic reviews are reliable and the authorship is transparent, but this is not always the case. Disclosure of conflicts of interest by authors is required by most journals, disclosure will not detect ghost or guest authorship. Ghosting or guesting is of more than academic interests because it can directly or indirectly affect patient care. Therefore it is important for readers to be aware of this issue, and to be alert to suggestions that particular works may be at increased risk for ghost or guest authors. It is important to take a proactive stance against these practices. Industry, universities, research centers, and professional medical associations should be clear and unequivocal in condeming these practices. Processes need to be in place to investigate and, if need be, deal with violations. Clearly, we must all participate in this endeavor for professional, ethical, and most importantly, best patient care reasons.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Talin, Albert Alec; Jones, Reese E.; Hopkins, Patrick E.

Motivated by low cost, low toxicity, mechanical flexibility, and conformability over complex shapes, organic semiconductors are currently being actively investigated as thermoelectric (TE) materials to replace the costly, brittle, and non-eco-friendly inorganic TEs for near-ambient-temperature applications. Metal–organic frameworks (MOFs) share many of the attractive features of organic polymers, including solution processability and low thermal conductivity. A potential advantage of MOFs and MOFs with guest molecules (Guest@MOFs) is their synthetic and structural versatility, which allows both the electronic and geometric structure to be tuned through the choice of metal, ligand, and guest molecules. This could solve the long-standing challenge of findingmore » stable, high-TE-performance n-type organic semiconductors, as well as promote high charge mobility via the long-range crystalline order inherent in these materials. In this paper, we review recent advances in the synthesis of MOF and Guest@MOF TEs and discuss how the Seebeck coefficient, electrical conductivity, and thermal conductivity could be tuned to further optimize TE performance.« less

In situ Low-temperature Pair Distribution Function (PDF) Analysis of CH4 and CO2 Hydrates

NASA Astrophysics Data System (ADS)

Cladek, B.; Everett, M.; McDonnell, M.; Tucker, M.; Keffer, D.; Rawn, C.

2017-12-01

Gas hydrates occur in ocean floor and sub-surface permafrost deposits and are stable at moderate to high pressures and low temperatures. They are a clathrate structure composed of hydrogen bonded water cages that accommodate a wide variety of guest molecules. CO2 and CH4 hydrates both crystallize as the cubic sI hydrate and can form a solid solution. Natural gas hydrates are interesting as a potential methane source and for CO2 sequestration. Long-range diffraction studies on gas hydrates give valuable structural information but do not provide a detailed understanding of the disordered gas molecule interactions with the host lattice. In-situ low temperature total scattering experiments combined with pair distribution function (PDF) analysis are used to investigate the gas molecule motions and guest-cage interactions. CO2 and methane hydrates exhibit different decomposition behavior, and CO2 hydrate has a smaller lattice parameter despite it being a relatively larger molecule. Total scattering studies characterizing both the short- and long-range order simultaneously help to elucidate the structural source of these phenomena. Low temperature neutron total scattering data were collected using the Nanoscale Ordered MAterials Diffractometer (NOMAD) beamline at the Spallation Neutron Source (SNS) on CO2 and CH4 hydrates synthesized with D2O. Guest molecule motion within cages and interactions between gases and cages are investigated through the hydrate stability and decomposition regions. Data were collected from 2-80 K at a pressure of 55 mbar on CO2 and CH4 hydrates, and from 80-270 K at 25 bar on CH4 hydrate. The hydrate systems were modeled with classical molecular dynamic (MD) simulations to provide an analysis of the total energy into guest-guest, guest-host and host-host contributions. Combined Reitveld and Reverse Monte Carlo (RMC) structure refinement were used to fit models of the data. This combined modeling and simulation characterizes the effects of CO2 and CH4 as guest molecules on the structure and decomposition of gas hydrates. Structure and thermodynamic studies will provide a more comprehensive understanding of CO2-CH4 solid solutions, exchange kinetics, and implications on hydrate structure.

FloorspaceJS - A New, Open Source, Web-Based Geometry Editor for Building Energy Modeling (BEM): Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Macumber, Daniel L; Horowitz, Scott G; Schott, Marjorie

Across most industries, desktop applications are being rapidly migrated to web applications for a variety of reasons. Web applications are inherently cross platform, mobile, and easier to distribute than desktop applications. Fueling this trend are a wide range of free, open source libraries and frameworks that make it incredibly easy to develop powerful web applications. The building energy modeling community is just beginning to pick up on these larger trends, with a small but growing number of building energy modeling applications starting on or moving to the web. This paper presents a new, open source, web based geometry editor formore » Building Energy Modeling (BEM). The editor is written completely in JavaScript and runs in a modern web browser. The editor works on a custom JSON file format and is designed to be integrated into a variety of web and desktop applications. The web based editor is available to use as a standalone web application at: https://nrel.github.io/openstudio-geometry-editor/. An example integration is demonstrated with the OpenStudio desktop application. Finally, the editor can be easily integrated with a wide range of possible building energy modeling web applications.« less

Formation of β-Cyclodextrin inclusion compound with doxycycline: A theoretical approach

NASA Astrophysics Data System (ADS)

Peraro, Cristian R.; Anconi, Amanda C. S. A.; Anconi, Cleber P. A.

2018-01-01

Recently, the inclusion compound formed by doxycycline and modified CD was investigated. In the inclusion compound, the unstable site of doxycycline was protected by the hydrophobic CD cavity. However, the guest arrangement inside CD cavity has not identified. In some situations, the correlation between protons of the guest and host in a 2D-ROESY experiment can be compatible with head and tail spatial arrangements. In the present work, the most stable guest spatial arrangement for the inclusion of doxycycline into β-CD was evaluated at B97-D/6-311++(2d,p) level of theory. For sake of comparison, tetracycline inclusion compound was also studied.

Large refractive index variations induced by accumulating triplet excitons under photoexcitation at low power

NASA Astrophysics Data System (ADS)

Hori, Tomoe; Totani, Kenro; Hirata, Shuzo; Watanabe, Toshiyuki

2018-07-01

Herein, we present a method for the modification of the refractive index (n), based on employing an organic molecule with a long triplet excited-state lifetime. A host-guest material composed of a cyclic aromatic as the guest and an amorphous steroidal compound as the host was used to modulate n. The guest material exhibited a triplet lifetime longer than 1 s, and a high-density triplet excited-state population was obtained upon excitation with blue-violet light. The refractive index could be changed by 0.002, even when using a relatively low excitation power level of 100 mW cm-2.

DNA-based nonlinear photonic materials

NASA Astrophysics Data System (ADS)

Heckman, Emily M.; Grote, James G.; Yaney, Perry P.; Hopkins, F. K.

2004-10-01

Deoxyribonucleic acid (DNA), extracted from salmon sperm through an enzyme isolation process, is a by-product of Japan"s fishing industry. To make DNA a suitable material for nonlinear optic (NLO) applications, it is precipitated with a surfactant complex, hexadecyltrimethlammonium chloride (CTMA). Preliminary characterization studies suggest DNA-CTMA may be a suitable host material for guest-host NLO polymer based electro-optic (EO) waveguide devices. The optical and electromagnetic properties of DNA-CTMA, as well as the development and EO measurement of a disperse red 1 (DR1) guest / DNA/CTMA host NLO material, are reported. Comparisons to a DR1 guest / poly(methyl methacrylate) (PMMA) host NLO material are made.

Inverse Scattering and Applications. Proceedings of Conference on Inverse Scattering on the Line, Held in Amherst, Massachusetts on June 7 - 13, 1990

DTIC Science & Technology

1990-01-01

J. Laurie Snell S. A. Amitsur, D. J. Saltman, and 2 Proceedings of the conference on G. B. Seligman , Editors integration, topology, and geometry in...Rational constructions of modules 17 Nonlinear partial differential equations. for simple Lie algebras, George B. Joel A. Smoller, Editor Seligman 18...number theory, Michael R. Stein and Linda Keen, Editor R. Keith Dennis, Editors 65 Logic and combinatorics, Stephen G. 84 Partition problems in

Editor's Choice Offered as a Service

NASA Astrophysics Data System (ADS)

Richman, Barbara T.

2010-06-01

Editor's Choice is now being offered as a service rather than on a subscription basis. As in the past, articles will be selected by collection editors with assistance from advisory panels. The selected articles will be listed on the AGU Web site (http://www.agu.org/pubs/journals/virtual/editors_choice/); these lists will be accessible to anyone. Those who are interested in reading the articles can access them through a personal or institutional subscription or can purchase them either individually or as part of a MultiChoice packet.

EDITORIAL: Incoming Editor-in-Chief Incoming Editor-in-Chief

NASA Astrophysics Data System (ADS)

Birch, David

2012-01-01

It is a pleasure and an honour for me to be taking over as Editor-in-Chief of Measurement Science and Technology. MST is well known across research communities worldwide as a leading journal in which to publish new techniques and instrumentation. It has gained this enviable position largely because of the excellent guidance of its Editorial Board and dedicated staff at Institute of Physics Publishing over many years. I want to highlight in particular the contribution of the outgoing Editor Peter Hauptmann, and other Editors before him, in making the journal truly international. We thank Peter immensely for all his hard work in leading the journal, having exceptionally served two terms, each of five years. I come into the post of Editor at a very interesting and challenging time for research. The global recession is leading to cuts in research funding in many countries, researchers and their outputs are coming under closer scrutiny than ever before, and more is being expected of them. Journals play a critical role in monitoring and maintaining research standards, but we should be careful not to assume that journal Impact Factor is the sole measure of research quality. Although expediency may sometimes demand it, Impact Factor, as practitioners know, is subject dependent. One of the great things about science and technology for me is its level playing field. The key point is still innovation no matter where the work is done or where it is published. MST has a long pedigree of being the natural home of the highest quality papers from leading researchers wishing to report novel instrumentation and techniques. 2013 will mark the 90th anniversary of MST and we look forward to celebrating in style its sustained success. I recall with pride the first paper I published in Journal of Physics E: Scientific Instruments (as MST was previously titled) back in 1977. The paper reported the design and application of an early fluorescence lifetime spectrometer that I had constructed for my PhD in the Department of Physics at the University of Manchester. Since that time I have witnessed many changes in instrumentation and techniques. I believe that I have been fortunate in not spending all of my time in a university. Having worked in or with industry throughout my career I have been able to see the trends from the perspective of both sectors. In my area of fluorescence spectroscopy I have seen the cost of systems fall in real terms, the performance rise, an increased need for user-friendly software and less emphasis on performance specification when customers decide which instrument to purchase. Such trends, no doubt replicated in other areas, reflect the migration of system instrumentation away from being the preserve of the specialist to much wider use and customization across the disciplines and skill-set. MST has embraced this change through its multidisciplinary remit in Special Features, Topical Reviews, Rapid Communications, Perspectives and regular Papers. These days there is much more of a partnership between industry and academia in research and this is to be applauded in these challenging times. I want to encourage contributions to MST from industry as well as academia, as MST is the ideal place to showcase the latest innovation from inception to commercial exploitation. Backed by one of the premier learned societies, the Institute of Physics, I have no doubt that MST will continue in its success and I look forward to helping to advance its high standing to even greater heights.

Rule-based support system for multiple UMLS semantic type assignments

PubMed Central

Geller, James; He, Zhe; Perl, Yehoshua; Morrey, C. Paul; Xu, Julia

2012-01-01

Background When new concepts are inserted into the UMLS, they are assigned one or several semantic types from the UMLS Semantic Network by the UMLS editors. However, not every combination of semantic types is permissible. It was observed that many concepts with rare combinations of semantic types have erroneous semantic type assignments or prohibited combinations of semantic types. The correction of such errors is resource-intensive. Objective We design a computational system to inform UMLS editors as to whether a specific combination of two, three, four, or five semantic types is permissible or prohibited or questionable. Methods We identify a set of inclusion and exclusion instructions in the UMLS Semantic Network documentation and derive corresponding rule-categories as well as rule-categories from the UMLS concept content. We then design an algorithm adviseEditor based on these rule-categories. The algorithm specifies rules for an editor how to proceed when considering a tuple (pair, triple, quadruple, quintuple) of semantic types to be assigned to a concept. Results Eight rule-categories were identified. A Web-based system was developed to implement the adviseEditor algorithm, which returns for an input combination of semantic types whether it is permitted, prohibited or (in a few cases) requires more research. The numbers of semantic type pairs assigned to each rule-category are reported. Interesting examples for each rule-category are illustrated. Cases of semantic type assignments that contradict rules are listed, including recently introduced ones. Conclusion The adviseEditor system implements explicit and implicit knowledge available in the UMLS in a system that informs UMLS editors about the permissibility of a desired combination of semantic types. Using adviseEditor might help accelerate the work of the UMLS editors and prevent erroneous semantic type assignments. PMID:23041716

Emotions under Discussion: Gender, Status and Communication in Online Collaboration

PubMed Central

Iosub, Daniela; Laniado, David; Castillo, Carlos; Fuster Morell, Mayo; Kaltenbrunner, Andreas

2014-01-01

Background Despite the undisputed role of emotions in teamwork, not much is known about the make-up of emotions in online collaboration. Publicly available repositories of collaboration data, such as Wikipedia editor discussions, now enable the large-scale study of affect and dialogue in peer production. Methods We investigate the established Wikipedia community and focus on how emotion and dialogue differ depending on the status, gender, and the communication network of the editors who have written at least 100 comments on the English Wikipedia's article talk pages. Emotions are quantified using a word-based approach comparing the results of two predefined lexicon-based methods: LIWC and SentiStrength. Principal Findings We find that administrators maintain a rather neutral, impersonal tone, while regular editors are more emotional and relationship-oriented, that is, they use language to form and maintain connections to other editors. A persistent gender difference is that female contributors communicate in a manner that promotes social affiliation and emotional connection more than male editors, irrespective of their status in the community. Female regular editors are the most relationship-oriented, whereas male administrators are the least relationship-focused. Finally, emotional and linguistic homophily is prevalent: editors tend to interact with other editors having similar emotional styles (e.g., editors expressing more anger connect more with one another). Conclusions/Significance Emotional expression and linguistic style in online collaboration differ substantially depending on the contributors' gender and status, and on the communication network. This should be taken into account when analyzing collaborative success, and may prove insightful to communities facing gender gap and stagnation in contributor acquisition and participation levels. PMID:25140870

Programmable In Vitro Coencapsidation of Guest Proteins for Intracellular Delivery by Virus-like Particles.

PubMed

Dashti, Noor H; Abidin, Rufika S; Sainsbury, Frank

2018-05-22

Bioinspired self-sorting and self-assembling systems using engineered versions of natural protein cages are being developed for biocatalysis and therapeutic delivery. The packaging and intracellular delivery of guest proteins is of particular interest for both in vitro and in vivo cell engineering. However, there is a lack of bionanotechnology platforms that combine programmable guest protein encapsidation with efficient intracellular uptake. We report a minimal peptide anchor for in vivo self-sorting of cargo-linked capsomeres of murine polyomavirus (MPyV) that enables controlled encapsidation of guest proteins by in vitro self-assembly. Using Förster resonance energy transfer, we demonstrate the flexibility in this system to support coencapsidation of multiple proteins. Complementing these ensemble measurements with single-particle analysis by super-resolution microscopy shows that the stochastic nature of coencapsidation is an overriding principle. This has implications for the design and deployment of both native and engineered self-sorting encapsulation systems and for the assembly of infectious virions. Taking advantage of the encoded affinity for sialic acids ubiquitously displayed on the surface of mammalian cells, we demonstrate the ability of self-assembled MPyV virus-like particles to mediate efficient delivery of guest proteins to the cytosol of primary human cells. This platform for programmable coencapsidation and efficient cytosolic delivery of complementary biomolecules therefore has enormous potential in cell engineering.

A molecular dynamics study of ethanol-water hydrogen bonding in binary structure I clathrate hydrate with CO2

NASA Astrophysics Data System (ADS)

Alavi, Saman; Ohmura, Ryo; Ripmeester, John A.

2011-02-01

Guest-host hydrogen bonding in clathrate hydrates occurs when in addition to the hydrophilic moiety which causes the molecule to form hydrates under high pressure-low temperature conditions, the guests contain a hydrophilic, hydrogen bonding functional group. In the presence of carbon dioxide, ethanol clathrate hydrate has been synthesized with 10% of large structure I (sI) cages occupied by ethanol. In this work, we use molecular dynamics simulations to study hydrogen bonding structure and dynamics in this binary sI clathrate hydrate in the temperature range of 100-250 K. We observe that ethanol forms long-lived (>500 ps) proton-donating and accepting hydrogen bonds with cage water molecules from both hexagonal and pentagonal faces of the large cages while maintaining the general cage integrity of the sI clathrate hydrate. The presence of the nondipolar CO2 molecules stabilizes the hydrate phase, despite the strong and prevalent alcohol-water hydrogen bonding. The distortions of the large cages from the ideal form, the radial distribution functions of the guest-host interactions, and the ethanol guest dynamics are characterized in this study. In previous work through dielectric and NMR relaxation time studies, single crystal x-ray diffraction, and molecular dynamics simulations we have observed guest-water hydrogen bonding in structure II and structure H clathrate hydrates. The present work extends the observation of hydrogen bonding to structure I hydrates.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ullman, Andrew M.; Brown, Jonathan W.; Foster, Michael E.

As the world transitions from fossil fuels to clean energy sources in the coming decades, many technological challenges will require chemists and material scientists to develop new materials for applications related to energy conversion, storage, and efficiency. Because of their unprecedented adaptability, metal–organic frameworks (MOFs) will factor strongly in this portfolio. By utilizing the broad synthetic toolkit provided by the fields of organic and inorganic chemistry, MOF pores can be customized to suit a particular application. Of particular importance is the ability to tune the strength of the interaction between the MOF pores and guest molecules. By cleverly controlling thesemore » MOF–guest interactions, the chemist may impart new function into the Guest@MOF materials otherwise lacking in vacant MOF. Herein, we highlight the concept of the Guest@MOF as it relates to our efforts to develop these materials for energy-related applicatons. Additionally, our work in the areas of H 2 and noble gas storage, hydrogenolysis of biomass, light-harvesting, and conductive materials will be discussed. Of relevance to light-harvesting applications, we report for the first time a postsynthetic modification strategy for increasing the loading of a light-sensitive electron-donor molecule in the pores of a functionalized MIL-101 structure. Through the demonstrated versatility of these approaches, we show that, by treating guest molecules as integral design elements for new MOF constructs, MOF science can have a significant impact on the advancement of clean energy technologies.« less

Technical editing and the effective communication of scientific results

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pieper, G.W.; Picologlou, S.M.

1996-05-01

Communication of scientific results--whether for professional journals, poster sessions, oral presentations, or the popular press--is an essential part of any scientific investigation. The technical editor plays an important rolein ensuring that scientists express their results correctly and effectively. Technical editing comprises far more than simple proofreading. The editor`s tasks may range from restructuring whole parpagrphs and suggesting improved graphical aids to writing abstracts and preparing first drafts of proposals. The technical editor works closely with scientists to present complex ideas to differentaudiences, including fellow scentists, funding agencies, and the general public. New computer technologyhas also involved the technical editor notmore » only with on-line editing but also with preparing CD ROMs and World Wide Web pages.« less

Data Sharing: A New Editorial Initiative of the International Committee of Medical Journal Editors. Implications for the Editors´ Network.

PubMed

Alfonso, Fernando; Adamyan, Karlen; Artigou, Jean Yves; Aschermann, Michael; Boehm, Michael; Buendia, Alfonso; Chu, Pao Hsien; Cohen, Ariel; Cas, Livio Dei; Dilic, Mirza; Doubell, Anton; Echeverri, Dario; Enç, Nuray; Ferreira-González, Ignacio; Filipiak, Krzysztof J; Flammer, Andreas; Fleck, Eckart; Gatzov, Plamen; Ginghina, Carmen; Goncalves, Lino; Haouala, Habib; Hassanein, Mahmoud; Heusch, Gerd; Huber, Kurt; Hulín, Ivan; Ivanusa, Mario; Krittayaphong, Rungroj; Lau, Chu Pak; Marinskis, Germanas; Mach, François; Moreira, Luiz Felipe; Nieminen, Tuomo; Oukerraj, Latifa; Perings, Stefan; Pierard, Luc; Potpara, Tatjana; Reyes-Caorsi, Walter; Rim, Se Joong; Rødevand, Olaf; Saade, Georges; Sander, Mikael; Shlyakhto, Evgeny; Timuralp, Bilgin; Tousoulis, Dimitris; Ural, Dilek; Piek, J J; Varga, Albert; Lüscher, Thomas F

2017-06-01

The International Committee of Medical Journal Editors (ICMJE) provides recommendations to improve the editorial standards and scientific quality of biomedical journals. These recommendations range from uniform technical requirements to more complex and elusive editorial issues including ethical aspects of the scientific process. Recently, registration of clinical trials, conflicts of interest disclosure, and new criteria for authorship -emphasizing the importance of responsibility and accountability-, have been proposed. Last year, a new editorial initiative to foster sharing of clinical trial data was launched. This review discusses this novel initiative with the aim of increasing awareness among readers, investigators, authors and editors belonging to the Editors´ Network of the European Society of Cardiology.

Data Sharing: A New Editorial Initiative of the International Committee of Medical Journal Editors. Implications for the Editors´ Network

PubMed Central

Alfonso, Fernando; Adamyan, Karlen; Artigou, Jean-Yves; Aschermann, Michael; Boehm, Michael; Buendia, Alfonso; Chu, Pao-Hsien; Cohen, Ariel; Cas, Livio Dei; Dilic, Mirza; Doubell, Anton; Echeverri, Dario; Enç, Nuray; Ferreira-González, Ignacio; Filipiak, Krzysztof J.; Flammer, Andreas; Fleck, Eckart; Gatzov, Plamen; Ginghina, Carmen; Goncalves, Lino; Haouala, Habib; Hassanein, Mahmoud; Heusch, Gerd; Huber, Kurt; Hulín, Ivan; Ivanusa, Mario; Krittayaphong, Rungroj; Lau, Chu-Pak; Marinskis, Germanas; Mach, François; Moreira, Luiz Felipe; Nieminen, Tuomo; Oukerraj, Latifa; Perings, Stefan; Pierard, Luc; Potpara, Tatjana; Reyes-Caorsi, Walter; Rim, Se-Joong; Rødevand, Olaf; Saade, Georges; Sander, Mikael; Shlyakhto, Evgeny; Timuralp, Bilgin; Tousoulis, Dimitris; Ural, Dilek; Piek, J. J.; Varga, Albert; Lüscher, Thomas F.

2017-01-01

The International Committee of Medical Journal Editors (ICMJE) provides recommendations to improve the editorial standards and scientific quality of biomedical journals. These recommendations range from uniform technical requirements to more complex and elusive editorial issues including ethical aspects of the scientific process. Recently, registration of clinical trials, conflicts of interest disclosure, and new criteria for authorship - emphasizing the importance of responsibility and accountability-, have been proposed. Last year, a new editorial initiative to foster sharing of clinical trial data was launched. This review discusses this novel initiative with the aim of increasing awareness among readers, investigators, authors and editors belonging to the Editors´ Network of the European Society of Cardiology. PMID:28591318

Better protecting staff working alone.

PubMed

Swindlehurst, Darren

2016-08-01

Established four and a half years ago as a wholly-owned subsidiary of Dutch-headquartered personal security and critical communications solutions provider, Atus BV, Hereford-based Atus Systems has since established a strong UK-wide client base supplying personal pagers, wireless personal alarm units, and the associated infrastructure, predominantly to high secure mental health facilities, prisons, and detention centres. Recent months, however, mark a new chapter for it, with the launch of a 'unique' lone worker protection system able to identify such personnel's location even when they are indoors and out of range of GPS coverage, and a sophisticated two-way enterprise critical messaging system. As HEJ editor, Jonathan Baillie, discovered from MD, Darren Swindlehurst, the company will target both systems squarely at the NHS and private healthcare providers, as well as at its more 'traditional' customers.

Move signals the 'start of new era'.

PubMed

Baillie, Jonathan

2012-10-01

Thirty-one years after its establishment in a small office in Wigan, independent life safety equipment manufacturer, C-TEC, has moved into a new 75,000 ft2 factory, 'the size of three football pitches', marking the start of what founder and MD, Andrew Foster, dubs 'the next phase in our exciting development'. The past year has also seen the firm busy on the new product front, with the launch of a 'revolutionary' new range of touchscreen-controlled analogue addressable fire alarms panels which the company claims will put it 'way ahead of the competition', and, in response to demand from nursing and care home operator customers, the introduction of a range of components designed to facilitate dementia care as an extension to its well-established Quantec addressable call system. HEJ editor, Jonathan Baillie, reports.

Wikipedia neuroscience stub editing in an introductory undergraduate neuroscience course.

PubMed

Burdo, Joseph R

2012-01-01

In response to the Society for Neuroscience initiative to help improve the neuroscience related content in Wikipedia, I implemented Wikipedia article construction and revision in my Introduction to Neuroscience course at Boston College as a writing intensive and neuroscience related outreach activity. My students worked in small groups to revise neuroscience "stubs" of their choice, many of which had little or no useful content. The exercise resulted in the successful development of well-written Wikipedia neuroscience articles, and was received well by my students, receiving positive marks in our course evaluations. Much of the student guidance and assessment was done by student peer groups as well as other Wikipedia editors outside of our course, reducing the instructor involvement to below that of a typical term paper.

Peer reviews and the role of a journal editor

USDA-ARS?s Scientific Manuscript database

Obtaining peer reviews for manuscripts submitted to scientific journals is becoming increasingly difficult. Changes to the system are necessary, and editors must cultivate and maintain a solid base of reviewers to help evaluate journal submissions. This article outlines some steps editors can and sh...

Training the Technical Editor.

ERIC Educational Resources Information Center

Cathcart, Margaret E.

The demand for skilled technical editors is growing as society places increasing emphasis on receiving accurate, concise, and complete technical data. Since many organizations do not have inhouse programs for training technical editors, a need exists to provide inexperienced people with basic editing skills. One organization has developed two…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kevin Young

In this paper, the author describes how engineers can increase the number of future engineers by volunteering as guest speakers in the elementary school classroom. The paper is divided into three main subjects. First, the importance of engineers speaking directly with young students is discussed. Next, several best practice techniques for speaking with young students are described. Finally, information on getting started as a guest speaker is presented, and a list of resources available to guest speakers is provided. The guest engineer speaking to an elementary school audience (ages 6-11) performs a critical role in encouraging young students to pursuemore » a career in engineering. Often, he or she is the first engineer these students meet in person, providing a crucial first impression of the engineering career field and a positive visual image of what an engineer really looks like. A dynamic speaker presenting a well-delivered talk creates a lasting, positive impression on students, influencing their future decisions to pursue careers in engineering. By reaching these students early in life, the guest speaker will help dispel the many prevailing stereotypes about engineers which discourage so many students, especially young women, from considering this career. The guest speaker can ensure young students gain a positive first impression of engineers and the engineering career field by following some best practice techniques in preparing for and delivering their presentation. The author, an electrical engineer, developed these best practice techniques over the past 10 years while presenting over 350 talks on engineering subjects to elementary school students as a volunteer speaker with the U.S. Department of Energy, Idaho National Laboratory’s Speakers Bureau. Every engineer can make a meaningful contribution toward reversing the predicted shortfall of future engineers by volunteering to speak with young students at the elementary school level. Elementary school teachers typically have a limited education in engineering and are eager to have career engineers speak with their students. As an engineer, there are many opportunities to get involved with guest speaking at the elementary school level. If you have a young child, start by meeting with her or his teacher and volunteering to give a presentation on engineering to the class. Many organizations have formal speakers bureaus. If your organization does not have one, consider starting one. There are several excellent resources on the Internet, such as the IEEE Center for Pre-University Engineering Education’s TryEngineering.org Web site. This site is designed for young students, teachers and parents, giving information on engineering careers and engineering activities the guest speaker can use to prepare a dynamic and informative presentation. Young students who have experienced a positive interaction with an engineer are more likely to pursue a career in engineering. Effective guest speaking by engineers in elementary school classrooms today will increase the likelihood these young students will become the desperately needed engineers of our future.« less

Cucurbit[n]uril-Based Microcapsules Self-Assembled within Microfluidic Droplets: A Versatile Approach for Supramolecular Architectures and Materials

PubMed Central

2017-01-01

Conspectus Microencapsulation is a fundamental concept behind a wide range of daily applications ranging from paints, adhesives, and pesticides to targeted drug delivery, transport of vaccines, and self-healing concretes. The beauty of microfluidics to generate microcapsules arises from the capability of fabricating monodisperse and micrometer-scale droplets, which can lead to microcapsules/particles with fine-tuned control over size, shape, and hierarchical structure, as well as high reproducibility, efficient material usage, and high-throughput manipulation. The introduction of supramolecular chemistry, such as host–guest interactions, endows the resultant microcapsules with stimuli-responsiveness and self-adjusting capabilities, and facilitates hierarchical microstructures with tunable stability and porosity, leading to the maturity of current microencapsulation industry. Supramolecular architectures and materials have attracted immense attention over the past decade, as they open the possibility to obtain a large variety of aesthetically pleasing structures, with myriad applications in biomedicine, energy, sensing, catalysis, and biomimicry, on account of the inherent reversible and adaptive nature of supramolecular interactions. As a subset of supramolecular interactions, host–guest molecular recognition involves the formation of inclusion complexes between two or more moieties, with specific three-dimensional structures and spatial arrangements, in a highly controllable and cooperative manner. Such highly selective, strong yet dynamic interactions could be exploited as an alternative methodology for programmable and controllable engineering of supramolecular architectures and materials, exploiting reversible interactions between complementary components. Through the engineering of molecular structures, assemblies can be readily functionalized based on host–guest interactions, with desirable physicochemical characteristics. In this Account, we summarize the current state of development in the field of monodisperse supramolecular microcapsules, fabricated through the integration of traditional microfluidic techniques and interfacial host–guest chemistry, specifically cucurbit[n]uril (CB[n])-mediated host–guest interactions. Three different strategies, colloidal particle-driven assembly, interfacial condensation-driven assembly and electrostatic interaction-driven assembly, are classified and discussed in detail, presenting the methodology involved in each microcapsule formation process. We highlight the state-of-the-art in design and control over structural complexity with desirable functionality, as well as promising applications, such as cargo delivery stemming from the assembled microcapsules. On account of its dynamic nature, the CB[n]-mediated host–guest complexation has demonstrated efficient response toward various external stimuli such as UV light, pH change, redox chemistry, and competitive guests. Herein, we also demonstrate different microcapsule modalities, which are engineered with CB[n] host–guest chemistry and also can be disrupted with the aid of external stimuli, for triggered release of payloads. In addition to the overview of recent achievements and current limitations of these microcapsules, we finally summarize several perspectives on tunable cargo loading and triggered release, directions, and challenges for this technology, as well as possible strategies for further improvement, which will lead to substainitial progress of host–guest chemistry in supramolecular architectures and materials. PMID:28075551

A spectroscopic study of the structure and occupancies of clathrate hydrates incorporating hydrogen

NASA Astrophysics Data System (ADS)

Grim, R. Gary

With the ability to store and concentrate gases inside a clean and abundant water framework, clathrate hydrates are considered to be a promising material for many applications related to gas storage, separation, and sequestration. Hydrates of hydrogen are particularly interesting, for in addition to these potential applications, the small molecular size provides an opportunity for use as a model guest in many fundamental studies such as guest diffusion, multiple guest occupancy, and quantum mechanical effects upon confinement. In attempt to study these effects and the viability of H 2 hydrates as an energy storage material, a combined experimental and theoretical approach incorporating Raman spectroscopy, X-ray and neutron diffraction, nuclear magnetic resonance, ab-initio calculations, and molecular dynamic simulations was performed. One of the most significant challenges in the application of H2 clathrate hydrates is the demanding thermodynamic requirements needed for stability. In recent years, a mechanism known as the `tuning' effect had reportedly solved this issue where thermodynamic requirements could be reduced while simultaneously maintaining high storage capacities. In this work, the viability and validity of this technique is explored and alternative explanations in the form of epitaxial hydrate growth under high driving force conditions are discussed. A second, and equally important challenge facing clathrate hydrates as a future storage material is the overall storage capacity of H2. In previous work, H2 has only been experimentally verified to occupy the small 512 and 43566 3 cages and also in the large 51264 cages of the type II clathrate, often with an energy deficient promoter. In order to achieve more robust energy densities, other hydrate cages must be accessible. Herein a new method for increasing overall hydrate energy densities is presented involving the incorporation of H2 in the large cages of the type I clathrate with CH4 as a co-guest molecule. Finally, for all of the collective research on gas hydrates since their discovery in 1810 by Sir Humphrey Davy, the one common theme that unites them is the assumption that guest molecules are trapped at the center (or near center) of the host water cages that makes up the respective crystal structure. For the first time, this work provides evidence suggesting that this definition of clathrate hydrate guest occupancy is possibly incomplete, and should include the addition of interstitial sites within the water crystal lattice. Specifically, H2 is found within the shared heptagonal faces of the large (4 3596273) cage and in cavities formed from the disruption of smaller (445 4) water cages in structure VI hydrates. The ability of H2 to occupy these interstitial sites and fluctuate position in the crystal lattice demonstrates the dynamic behavior of H2 in solids and reveals new insight into guest-guest and guest-host interactions in clathrate hydrates with potential implications in increasing overall energy storage properties.

Entering the 60th year of Acta Astronautica

NASA Astrophysics Data System (ADS)

Chang, Yi-Wei; Chern, Jeng-Shing; Marec, Jean-Pierre

2014-04-01

The Acta Astronautica Journal was firstly published in 1955 as the official Journal of the International Astronautical Federation (IAF) with the title Astronautica Acta. It is entering its 60th year in 2014. In 1962, the Astronautica Acta became the official Journal of the International Academy of Astronautics (IAA) established in 1960. A total of 18 volumes had been published from 1955 to 1973 under the leadership of three Editor-in-Chiefs: F. Hecht, Theodore von Karman, and Martin Summerfield. In 1974, A.K. Oppenheim became the new Editor-in-Chief and several evolved changes were performed including change of the title to Acta Astronautica (for grammatical correctness), cover page change, and format change. From 1974 to 2010, another three Editor-in-Chiefs led the journal with 67 volumes published. They were A.K. Oppenheim, Jean-Pierre Marec, and Rupert Gerzer. The current Editor-in-Chief Jeng-Shing Chern (Rock) took over the job from 2011. Total pages and articles published in 2012 are 3586 and 356, respectively. Currently, the Acta Astronautica Editorial Board consists of one Editor-in-Chief, 15 Co-Editors, one Managing Editor and one Honorary Editor-in-Chief (Jean-Pierre Marec). After 59 years, the Acta Astronautica has become a well-known journal worldwide. Its current rank and impact factor are 7/63 and 0.701, respectively. This paper presents some of the details as well as new strategies and steps. In particular, supports from the IAA Academicians are mandatory and most welcome.

Quantifying the effect of editor-author relations on manuscript handling times.

PubMed

Sarigöl, Emre; Garcia, David; Scholtes, Ingo; Schweitzer, Frank

2017-01-01

In this article we study to what extent the academic peer review process is influenced by social relations between the authors of a manuscript and the editor handling the manuscript. Taking the open access journal PlosOne as a case study, our analysis is based on a data set of more than 100,000 articles published between 2007 and 2015. Using available data on handling editor, submission and acceptance time of manuscripts, we study the question whether co-authorship relations between authors and the handling editor affect the manuscript handling time , i.e. the time taken between the submission and acceptance of a manuscript. Our analysis reveals (1) that editors handle papers co-authored by previous collaborators significantly more often than expected at random, and (2) that such prior co-author relations are significantly related to faster manuscript handling. Addressing the question whether these shorter manuscript handling times can be explained by the quality of publications, we study the number of citations and downloads which accepted papers eventually accumulate. Moreover, we consider the influence of additional (social) factors, such as the editor's experience, the topical similarity between authors and editors, as well as reciprocal citation relations between authors and editors. Our findings show that, even when correcting for other factors like time, experience, and performance, prior co-authorship relations have a large and significant influence on manuscript handling times, speeding up the editorial decision on average by 19 days.

Astrobee Guest Science

NASA Technical Reports Server (NTRS)

Barlow, Jonathan; Benavides, Jose; Provencher, Chris; Bualat, Maria; Smith, Marion F.; Mora Vargas, Andres

2017-01-01

At the end of 2017, Astrobee will launch three free-flying robots that will navigate the entire US segment of the ISS (International Space Station) and serve as a payload facility. These robots will provide guest science payloads with processor resources, space within the robot for physical attachment, power, communication, propulsion, and human interfaces.

The Joe Show on Third Rock Radio

NASA Image and Video Library

2017-12-01

Tune into Third Rock Radio for The Joe Show starring Joe Acaba as Guest DJ on Thursday, December 7th at 5pm ET. Third Rock Radio's Guest DJ series spotlights NASA astronauts aboard the International Space Station, playing music and sharing their experiences. For more information visit: thirdrockradio.rfcmedia.com

One Year Term Review as a Participating Guest in the Detonator and Detonation Physics Group

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lefrancois, A; Roeske, F; Tran, T

2006-02-06

The one year stay was possible after a long administrative process, because of the fact that this was the first participating guest of B division as a foreign national in HEAF (High Explosives Application Facility) with the Detonator/Detonation Physics Group.

32 CFR 705.23 - Guest cruises.

Code of Federal Regulations, 2013 CFR

2013-07-01

... professional associations. (ii) Embarkation of media representatives on assignment is discussed in § 705.14..., if so designated) have the authority to use Navy ships to embark individuals other than news media... embarked flag officer. (4) A caution that guests should not accept the invitation unless they are in good...